data_1ppq_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1ppq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.747 0.308 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 89.0 m -95.87 126.8 41.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.056 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -74.44 130.85 40.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 70.8 p -60.79 134.49 92.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.161 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.451 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 60.5 Cg_endo -72.52 148.9 48.81 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.76 146.49 78.71 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.59 2.194 . . . . 0.0 112.2 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.08 115.25 11.33 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.37 155.83 23.76 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.36 131.51 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 991' ' ' THR . 78.0 m-20 53.5 30.5 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.971 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -151.56 -170.88 18.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 25.1 ptm -161.52 141.91 10.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.68 144.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -122.29 131.02 53.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.43 130.95 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.712 HG12 ' HA ' ' A' ' 986' ' ' ILE . 51.0 mm -76.12 -47.93 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.195 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 978' ' ' THR . . . . . 0.518 HG23 HG22 ' A' ' 977' ' ' ILE . 47.9 p -142.53 -63.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.263 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -148.62 171.22 16.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.756 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 8.3 mt -96.99 32.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.751 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -85.5 144.44 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.878 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.0 p -58.04 133.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 105.51 -7.11 42.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.465 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 52.2 m -86.67 178.18 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -148.83 91.08 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.972 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.712 ' HA ' HG12 ' A' ' 977' ' ' ILE . 39.8 pt -76.96 179.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 987' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 988' ' ' TYR . 4.1 m -136.88 164.06 29.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.025 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.535 ' HE1' ' HB1' ' A' 1002 ' ' ALA . 87.3 m-85 -123.13 157.1 33.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.785 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 30.6 t -141.47 173.66 11.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.016 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 35.8 t -159.07 171.77 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.56 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 971' ' ' ASN . 14.0 p -56.56 146.78 23.98 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.191 178.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 63.7 m -60.99 118.0 6.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 116.7 -9.69 16.46 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.572 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 3.4 m80 -107.22 120.06 41.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.681 0.277 . . . . 0.0 110.828 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.672 ' HB3' HE21 ' A' 1021 ' ' GLN . 30.0 tpt180 -82.51 139.98 33.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.786 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' 1018 ' ' PRO . 1.2 tm? -71.35 113.64 8.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 29.5 mm -82.72 70.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.772 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -178.57 -120.73 0.67 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.557 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -122.44 -11.1 8.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 111.049 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 49.2 m 60.0 25.95 15.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.681 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 94.2 p -163.39 172.18 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.785 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.535 ' HB1' ' HE1' ' A' ' 988' ' ' TYR . . . -152.07 160.94 43.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -145.25 113.34 6.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 52.8 t -63.32 99.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 40.1 pt -124.17 139.84 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' 1006 ' ' LEU . 4.3 mp -85.95 125.16 33.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.803 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 81.2 p -93.92 18.08 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 131.54 -89.43 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.445 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -111.71 8.57 20.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.808 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 61.9 m -148.11 119.73 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.049 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.512 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -91.25 132.53 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.197 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.2 p80 -147.23 173.25 12.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.451 ' NE1' ' HD3' ' A' ' 966' ' ' PRO . 67.6 m95 -85.15 133.86 34.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.773 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.8 t -65.89 -17.06 64.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.333 -172.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 9.2 t -91.58 138.12 31.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 111.352 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.586 ' HD3' ' H ' ' A' 1016 ' ' LYS . 0.3 OUTLIER -75.51 157.61 84.24 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.612 174.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1017 ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.0 Cg_endo -50.61 107.4 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.746 2.297 . . . . 0.0 112.293 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.423 ' O ' HD11 ' A' 1019 ' ' ILE . 35.2 Cg_exo -58.3 150.33 67.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.696 2.264 . . . . 0.0 112.517 -175.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' 1020 ' ' CYS . 11.5 mm -123.69 165.11 20.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.703 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.572 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 69.7 m -124.03 116.4 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.657 177.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1021 ' ' GLN . . . . . 0.672 HE21 ' HB3' ' A' ' 995' ' ' ARG . 29.8 pt20 -83.78 -17.08 42.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.299 -170.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 63.16 114.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.975 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 59.9 mt -115.22 126.66 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.037 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.574 2.183 . . . . 0.0 112.347 179.528 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.931 0.395 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 92.0 m -61.32 164.95 4.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.956 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 964' ' ' LYS . 13.6 mptt -72.64 -168.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.419 172.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 965' ' ' THR . . . . . 0.5 HG23 HD11 ' A' ' 980' ' ' ILE . 43.0 p -114.54 133.82 22.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.106 178.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.8 147.78 94.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.741 2.294 . . . . 0.0 112.215 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.23 137.31 47.23 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.646 2.23 . . . . 0.0 112.143 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.96 113.77 7.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.43 144.3 84.08 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.632 2.221 . . . . 0.0 112.241 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.415 HG23 ' OD1' ' A' ' 971' ' ' ASN . 8.0 p -63.21 136.15 26.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 178.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.415 ' OD1' HG23 ' A' ' 970' ' ' VAL . 2.6 m-20 53.55 22.44 2.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.6 -162.78 10.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.549 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -165.78 148.46 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.848 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.4 142.57 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -107.4 112.32 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.139 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 27.0 t -83.83 94.28 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.565 172.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.48 HD12 HG21 ' A' ' 987' ' ' THR . 61.8 mt -60.25 -70.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.534 -173.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 978' ' ' THR . . . . . 0.68 HG21 ' H ' ' A' ' 979' ' ' ASP . 0.1 OUTLIER -112.65 -91.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.441 -176.509 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . 0.68 ' H ' HG21 ' A' ' 978' ' ' THR . 11.1 m-20 -122.36 -179.39 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.833 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 965' ' ' THR . 28.0 mt -120.29 65.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -120.51 178.86 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.809 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.27 136.35 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.042 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 95.76 -27.74 15.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.608 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 41.2 t -67.93 157.33 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.455 ' O ' HD11 ' A' ' 977' ' ' ILE . 61.2 ttp180 -139.24 111.11 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.003 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 43.8 pt -92.1 172.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 987' ' ' THR . . . . . 0.48 HG21 HD12 ' A' ' 977' ' ' ILE . 66.6 p -128.58 142.9 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.25 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -99.75 170.01 8.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 94.8 p -161.54 164.57 29.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 15.8 t -149.99 172.03 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 1.8 t -54.78 140.52 35.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 3.7 t -55.84 125.63 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.33 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 120.4 -62.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.419 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.532 ' HA ' HG12 ' A' 1023 ' ' ILE . 0.5 OUTLIER -56.85 136.8 55.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 110.973 -177.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.689 ' HG2' HD13 ' A' 1023 ' ' ILE . 28.8 mmm180 -84.1 138.1 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.958 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' 1018 ' ' PRO . 1.9 tm? -78.09 121.47 24.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.61 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.583 HD13 ' HB2' ' A' 1021 ' ' GLN . 34.6 mm -88.74 81.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 164.92 -114.09 0.58 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.431 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -150.17 9.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.805 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 94.7 p 48.7 29.18 2.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.294 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 47.9 t -164.78 161.6 20.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -156.68 159.09 38.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -135.25 129.63 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 53.0 t -69.27 104.1 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 39.5 pt -134.21 151.86 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.249 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 56.6 mt -88.44 99.83 12.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 56.0 m -104.17 14.17 30.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -178.51 -132.14 1.68 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -91.79 -7.51 49.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.377 . . . . 0.0 110.87 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 46.3 m -140.86 140.83 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.055 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.74 115.42 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -129.29 172.84 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.741 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 69.4 m95 -82.72 143.65 30.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.802 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.8 t -55.58 -68.98 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 67.7 p -63.69 139.65 58.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.44 -175.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.52 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -63.67 156.34 72.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.728 176.19 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -48.21 108.24 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.523 ' HB3' HD13 ' A' ' 996' ' ' LEU . 33.8 Cg_exo -58.45 151.1 63.81 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.673 2.248 . . . . 0.0 112.434 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' 1020 ' ' CYS . 12.9 mm -121.58 164.24 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.645 177.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.474 ' N ' HG22 ' A' 1019 ' ' ILE . 84.7 m -109.2 92.65 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.037 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1021 ' ' GLN . . . . . 0.583 ' HB2' HD13 ' A' ' 997' ' ' ILE . 57.9 tp60 -66.58 99.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -56.89 139.92 50.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1023 ' ' ILE . . . . . 0.689 HD13 ' HG2' ' A' ' 995' ' ' ARG . 29.9 mm -108.08 -51.6 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.618 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1024 ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 38.2 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 122.244 1.963 . . . . 0.0 112.266 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.515 0.198 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 980' ' ' ILE . 72.8 m -91.69 130.33 37.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.057 0.456 . . . . 0.0 111.265 -173.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -158.02 71.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.184 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 965' ' ' THR . . . . . 0.667 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 99.3 m -122.04 -56.77 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.263 -166.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.667 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 77.5 Cg_exo -51.98 106.96 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.722 2.282 . . . . 0.0 112.925 -167.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -84.83 -162.6 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.782 2.321 . . . . 0.0 112.133 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.06 113.74 38.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.719 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.1 152.78 76.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.514 2.143 . . . . 0.0 112.327 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.4 129.63 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 46.15 66.52 0.93 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 162.28 -160.57 32.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.563 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.7 ptp -153.67 141.14 19.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.4 p -82.74 140.84 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -117.67 103.8 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' ' 976' ' ' VAL . 4.3 p -80.95 110.87 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 173.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.745 HD13 HG22 ' A' ' 987' ' ' THR . 66.1 mt -59.27 -39.37 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.512 -172.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 978' ' ' THR . . . . . 0.506 HG22 ' OD2' ' A' ' 979' ' ' ASP . 26.1 m -157.0 -50.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.167 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . 0.506 ' OD2' HG22 ' A' ' 978' ' ' THR . 12.5 m-20 -146.3 -167.63 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.541 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 963' ' ' CYS . 3.1 pt -147.36 34.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.9 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -95.1 -178.24 4.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.909 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.44 137.58 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 83.26 -13.13 47.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.522 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 55.5 m -90.4 150.06 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 0.0 110.943 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.622 ' HD3' ' HB2' ' A' 1001 ' ' SER . 38.7 ttm180 -130.22 132.9 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 21.7 pt -104.17 -177.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 987' ' ' THR . . . . . 0.745 HG22 HD13 ' A' ' 977' ' ' ILE . 57.0 p -138.36 137.68 37.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.429 ' CD1' ' HG3' ' A' 1018 ' ' PRO . 82.2 m-85 -103.9 150.57 24.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.881 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 58.2 m -155.26 137.18 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.985 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 97.3 m -73.87 -177.89 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 6.8 t -76.41 -12.14 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 91.4 m -136.03 -40.7 0.67 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.051 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 136.88 28.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.385 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.607 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 88.3 m-70 -64.89 163.89 13.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.528 ' HB3' ' HB3' ' A' 1021 ' ' GLN . 78.6 ttt180 -62.33 134.16 56.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.82 117.17 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.452 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.603 HD12 ' HB2' ' A' 1021 ' ' GLN . 34.2 mm -79.55 76.58 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.078 0.466 . . . . 0.0 110.733 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 151.17 -111.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.463 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -148.07 129.45 14.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 49.9 m -83.96 30.39 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.323 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1001 ' ' SER . . . . . 0.622 ' HB2' ' HD3' ' A' ' 985' ' ' ARG . 78.0 p -167.02 125.3 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.811 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -113.16 158.97 19.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.223 -176.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -127.1 124.93 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.5 t -67.83 102.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.784 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.34 168.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.451 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 47.0 mt -124.08 133.98 53.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.912 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 79.3 p -150.11 -49.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -94.29 -129.83 5.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -99.15 -10.66 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 8.7 t -143.36 137.17 28.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.186 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -64.89 125.17 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 17.7 p80 -131.94 144.61 50.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.811 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 68.6 m95 -67.84 145.42 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -176.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 81.0 p -83.51 30.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.248 -175.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 81.7 p -135.58 127.64 29.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.227 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.708 ' HB2' ' HZ2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -63.05 161.22 32.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 175.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1017 ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 8.0 Cg_endo -49.89 115.56 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.622 2.215 . . . . 0.0 112.144 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.429 ' HG3' ' CD1' ' A' ' 988' ' ' TYR . 32.7 Cg_endo -64.4 144.23 84.97 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.626 2.217 . . . . 0.0 112.388 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' 1020 ' ' CYS . 10.4 mt -131.44 164.02 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 994' ' ' HIS . 61.3 m -116.35 113.27 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1021 ' ' GLN . . . . . 0.603 ' HB2' HD12 ' A' ' 997' ' ' ILE . 28.9 tt0 -72.59 -14.06 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -175.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.607 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 40.3 ttm180 64.06 113.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.017 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1023 ' ' ILE . . . . . 0.568 ' H ' ' HD1' ' A' ' 994' ' ' HIS . 66.6 mt -103.63 128.19 27.9 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.993 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.447 2.098 . . . . 0.0 112.25 179.472 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 962' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 47.9 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.809 0.338 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . 0.486 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 92.1 m -68.48 157.27 36.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -81.66 119.15 23.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 76.2 p -54.32 134.31 61.22 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.277 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.76 125.72 10.76 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.566 2.177 . . . . 0.0 112.374 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.82 146.84 43.83 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.559 2.172 . . . . 0.0 112.193 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.06 120.4 42.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.987 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . 0.402 ' HG3' ' CE2' ' A' ' 988' ' ' TYR . 62.6 Cg_endo -72.96 175.49 10.35 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.612 2.208 . . . . 0.0 112.341 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.6 128.07 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.43 ' O ' HG21 ' A' ' 991' ' ' THR . 80.4 m-20 55.87 22.01 5.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.04 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -139.12 178.44 19.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.599 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.6 ptp -152.15 172.72 15.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.79 146.01 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.036 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -128.27 145.98 50.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 38.5 t -97.49 112.56 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.921 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.646 HD12 ' HG1' ' A' ' 987' ' ' THR . 48.9 mm -73.24 -45.69 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.317 -174.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 978' ' ' THR . . . . . 0.554 HG23 ' OD2' ' A' ' 979' ' ' ASP . 28.1 m -135.3 -70.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.128 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . 0.554 ' OD2' HG23 ' A' ' 978' ' ' THR . 11.7 m-20 -141.06 -176.6 4.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.615 HG23 ' HZ2' ' A' 1013 ' ' TRP . 29.4 mt -110.41 -10.03 11.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 28.4 pt20 -68.92 174.73 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.72 141.66 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.066 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 95.29 -12.98 67.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.291 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 984' ' ' SER . . . . . 0.532 ' HG ' ' HB2' ' A' ' 979' ' ' ASP . 56.4 m -93.18 136.34 33.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.717 0.294 . . . . 0.0 110.842 178.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -117.49 114.15 23.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.02 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.477 ' HA ' HG12 ' A' ' 977' ' ' ILE . 39.8 pt -95.55 174.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 175.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 987' ' ' THR . . . . . 0.646 ' HG1' HD12 ' A' ' 977' ' ' ILE . 4.8 m -113.7 162.75 15.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.917 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.446 ' H ' HG22 ' A' ' 987' ' ' THR . 1.0 OUTLIER -149.75 124.53 9.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.669 -175.25 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 32.2 t -149.84 174.87 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.173 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 7.0 t -119.95 -170.11 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.34 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.43 HG21 ' O ' ' A' ' 971' ' ' ASN . 0.6 OUTLIER -59.12 -179.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 111.564 179.152 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 69.5 m -55.58 -68.03 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.362 -174.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . -84.35 42.92 3.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.599 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.508 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 71.7 m80 -143.16 116.43 9.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -86.55 139.08 31.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.78 108.05 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.428 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.515 ' HB ' ' HB ' ' A' 1019 ' ' ILE . 34.4 mm -75.77 74.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.034 0.445 . . . . 0.0 110.747 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 178.61 -125.06 0.96 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.624 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -104.82 -13.85 15.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.701 0.286 . . . . 0.0 111.094 -175.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 55.1 m 59.38 18.49 6.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.012 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1001 ' ' SER . . . . . 0.41 ' HG ' ' N ' ' A' 1002 ' ' ALA . 39.5 t -173.56 158.67 3.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.595 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' 1013 ' ' TRP . . . -131.39 163.62 27.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.174 -177.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -149.01 118.17 6.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.2 t -62.24 100.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 43.0 pt -123.23 152.24 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.449 -174.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 60.5 mt -105.18 124.49 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.859 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.1 p -139.23 37.81 2.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 169.51 -85.51 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.502 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -157.61 -8.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 66.4 m -126.61 111.01 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.486 ' HB1' ' SG ' ' A' ' 963' ' ' CYS . . . -59.57 129.47 42.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.324 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 20.0 p80 -150.35 168.68 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.615 ' HZ2' HG23 ' A' ' 980' ' ' ILE . 75.4 m95 -85.54 148.78 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.809 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 79.9 p -79.43 5.65 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 -174.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 44.2 p -86.42 137.94 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 111.408 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.706 ' HD3' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -97.79 166.01 14.37 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.369 173.538 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1017 ' ' PRO . . . . . 0.554 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 78.1 Cg_exo -39.78 102.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.711 2.274 . . . . 0.0 112.422 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.423 ' HG3' ' CE2' ' A' ' 988' ' ' TYR . 62.7 Cg_endo -74.03 154.53 47.55 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.641 2.228 . . . . 0.0 112.626 -171.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.515 ' HB ' ' HB ' ' A' ' 997' ' ' ILE . 9.7 mt -124.36 164.98 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.728 176.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 75.4 m -128.79 126.22 39.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.806 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -126.5 130.39 50.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 -177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.428 ' HG2' ' HD2' ' A' 1024 ' ' PRO . 79.7 ttt180 -58.67 118.73 5.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.778 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1023 ' ' ILE . . . . . 0.641 ' HB ' ' HD3' ' A' 1024 ' ' PRO . 58.4 mt -66.64 -49.93 48.22 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.644 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1024 ' ' PRO . . . . . 0.641 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 49.9 Cg_exo . . . . . 0 C--O 1.249 1.028 0 C-N-CA 122.227 1.951 . . . . 0.0 112.346 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 962' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 980' ' ' ILE . 47.4 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.852 0.358 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 55.3 m -67.74 142.97 56.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -59.83 112.75 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.781 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 72.1 p -57.34 134.86 81.45 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.628 ' HG3' ' HH ' ' A' ' 988' ' ' TYR . 55.3 Cg_endo -69.74 150.63 68.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.557 2.171 . . . . 0.0 112.226 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . 0.415 ' HD2' ' HG3' ' A' 1017 ' ' PRO . 26.6 Cg_endo -61.87 146.15 96.63 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.61 2.206 . . . . 0.0 112.138 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -56.19 120.38 34.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.031 -177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.91 142.42 62.44 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.547 2.165 . . . . 0.0 112.359 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.622 HG22 HD21 ' A' ' 971' ' ' ASN . 14.8 p -62.12 131.51 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.781 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.622 HD21 HG22 ' A' ' 970' ' ' VAL . 46.7 m-80 50.23 74.43 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -173.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 990' ' ' CYS . . . 152.24 -173.02 31.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.591 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -161.42 137.67 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.54 135.77 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . 0.437 ' O ' ' HB ' ' A' ' 986' ' ' ILE . 10.0 t-80 -106.89 135.0 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 -175.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.12 89.68 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 985' ' ' ARG . 58.4 mt -60.65 -66.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.329 -176.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 63.2 m -96.9 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.08 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . 0.429 ' HB3' ' HG2' ' A' ' 981' ' ' GLN . 17.0 t70 -165.46 170.32 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.5 HG22 ' HZ2' ' A' 1013 ' ' TRP . 9.1 mt -96.07 26.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.09 0.471 . . . . 0.0 110.71 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . 0.429 ' HG2' ' HB3' ' A' ' 979' ' ' ASP . 3.6 pt20 -103.03 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.811 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . 0.505 HG21 HD12 ' A' 1006 ' ' LEU . 42.9 t -75.64 141.3 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.078 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 98.29 -6.67 61.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.384 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 96.5 p -94.26 170.73 9.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.419 ' O ' HD13 ' A' ' 977' ' ' ILE . 79.9 ttt180 -149.8 96.23 2.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' ' 975' ' ' HIS . 39.2 pt -84.7 171.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 69.3 p -134.7 136.31 42.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.236 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.628 ' HH ' ' HG3' ' A' ' 966' ' ' PRO . 89.9 m-85 -90.25 138.87 31.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 55.3 m -141.74 127.67 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . 0.46 ' HA ' ' HA3' ' A' ' 972' ' ' GLY . 84.2 m -76.44 -176.72 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 971' ' ' ASN . 6.7 t -63.13 -32.63 74.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.0 111.209 -176.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 87.8 m -134.44 -50.83 0.8 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.076 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 162.83 32.99 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.416 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.58 ' HB2' ' HB3' ' A' 1020 ' ' CYS . 23.6 m-70 -58.94 144.68 44.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.827 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -64.11 108.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.684 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' 1019 ' ' ILE . 15.1 tp -64.21 155.39 31.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 72.9 mt -109.01 122.19 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.692 170.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 104.82 -111.34 3.75 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.433 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -141.46 129.19 21.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.72 0.295 . . . . 0.0 111.133 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 35.7 t -76.56 44.29 0.35 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 47.5 t -166.91 162.3 15.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.645 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' 1013 ' ' TRP . . . -157.0 156.81 33.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.25 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -135.6 132.58 37.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.745 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1004 ' ' CYS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 52.5 t -77.99 94.43 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.013 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 31.6 pt -123.65 136.9 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.598 ' HA ' ' HA ' ' A' 1011 ' ' ALA . 4.9 mp -77.99 -15.71 58.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.935 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 98.0 p 50.68 22.43 1.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.454 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 138.58 -69.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -156.43 13.53 0.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.773 0.32 . . . . 0.0 110.912 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 2.5 t -130.78 105.98 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.236 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.598 ' HA ' ' HA ' ' A' 1006 ' ' LEU . . . -69.25 113.77 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.8 p80 -149.47 178.86 8.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.675 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.5 ' HZ2' HG22 ' A' ' 980' ' ' ILE . 83.9 m95 -95.2 141.86 28.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.892 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 46.3 t -68.35 -4.1 13.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.333 -172.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 82.6 p -127.22 123.39 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.273 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.58 ' HD2' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -59.19 153.97 43.59 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.877 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1017 ' ' PRO . . . . . 0.415 ' HG3' ' HD2' ' A' ' 967' ' ' PRO . 73.4 Cg_exo -49.65 108.05 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.724 2.283 . . . . 0.0 112.398 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.485 ' HB2' HD11 ' A' ' 996' ' ' LEU . 73.9 Cg_endo -75.59 167.24 26.89 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.6 2.2 . . . . 0.0 112.475 -176.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.496 ' O ' HD13 ' A' ' 996' ' ' LEU . 12.8 mm -124.71 162.54 26.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 994' ' ' HIS . 99.7 m -109.8 120.48 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -108.11 110.03 21.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.761 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.529 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 33.6 ttm180 -57.32 132.47 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -178.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 63.8 mt -79.34 127.45 78.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.037 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo . . . . . 0 C--O 1.249 1.031 0 C-N-CA 122.629 2.219 . . . . 0.0 112.264 179.79 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.923 0.392 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 61.4 m -78.4 137.52 38.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.008 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -64.53 101.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 64.0 p -57.54 136.02 82.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.489 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 69.5 Cg_endo -74.03 150.31 43.04 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.658 2.238 . . . . 0.0 112.243 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.09 129.65 23.58 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.564 2.176 . . . . 0.0 112.207 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . 0.469 ' HB2' ' HA ' ' A' ' 973' ' ' MET . 4.5 p-10 -58.42 127.13 80.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 -178.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.64 144.44 64.3 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.632 2.222 . . . . 0.0 112.238 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.599 HG11 HD21 ' A' ' 971' ' ' ASN . 14.2 p -59.3 145.19 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.599 HD21 HG11 ' A' ' 970' ' ' VAL . 44.5 m-80 73.29 -29.46 0.2 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.514 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 970' ' ' VAL . . . -123.76 -149.36 7.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.529 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 973' ' ' MET . . . . . 0.469 ' HA ' ' HB2' ' A' ' 968' ' ' ASP . 0.0 OUTLIER -165.35 -175.9 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . 0.452 HG12 ' CD1' ' A' ' 988' ' ' TYR . 8.6 m -90.3 -174.54 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.298 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -149.67 88.16 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.51 100.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.792 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.598 HD12 HG23 ' A' ' 987' ' ' THR . 66.4 mt -60.09 -37.77 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.37 -176.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 62.0 m -152.07 -59.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.194 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -145.54 -168.34 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.666 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 2.6 pt -147.01 36.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.042 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -92.59 -171.42 2.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.776 177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.79 131.55 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.016 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.97 -9.48 75.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.43 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 84.1 p -73.55 168.78 18.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.473 ' O ' HD11 ' A' ' 977' ' ' ILE . 80.2 ttt180 -153.06 86.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 46.0 pt -76.67 -178.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 987' ' ' THR . . . . . 0.598 HG23 HD12 ' A' ' 977' ' ' ILE . 63.8 p -141.51 150.95 42.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 111.187 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.452 ' CD1' HG12 ' A' ' 974' ' ' VAL . 76.3 m-85 -97.79 131.53 44.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.761 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 47.0 t -95.8 -43.99 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.403 -172.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 1.3 m 57.61 -175.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.085 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.511 ' HG1' ' H ' ' A' ' 992' ' ' THR . 2.6 p -69.44 -95.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.414 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 992' ' ' THR . . . . . 0.511 ' H ' ' HG1' ' A' ' 991' ' ' THR . 96.1 m -138.65 -73.13 0.4 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.207 -178.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . -100.66 51.88 0.97 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.58 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -126.17 137.0 53.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -96.29 144.11 26.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.799 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.431 HD23 ' H ' ' A' ' 999' ' ' HIS . 8.5 tt -89.49 127.08 35.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.693 HD11 ' HB ' ' A' 1019 ' ' ILE . 4.1 mp -74.14 81.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 175.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 167.37 -94.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -174.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . 0.431 ' H ' HD23 ' A' ' 996' ' ' LEU . 80.2 t60 -145.42 -85.68 0.12 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.648 0.261 . . . . 0.0 111.023 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 48.1 t -179.95 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.87 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1001 ' ' SER . . . . . 0.425 ' H ' ' HD2' ' A' ' 999' ' ' HIS . 80.0 p -137.25 -175.64 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -177.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -141.96 136.14 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.258 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -122.58 121.74 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.668 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1004 ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' 1011 ' ' ALA . 45.2 t -76.14 102.64 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.026 -175.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 44.3 pt -124.63 143.48 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.208 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 65.9 mt -73.08 99.13 2.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 54.9 m -92.41 27.89 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.963 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 164.47 -91.36 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -138.5 10.17 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 48.0 m -145.12 138.77 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' 1004 ' ' CYS . . . -72.25 114.15 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.243 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.82 172.4 12.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.734 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.587 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 85.9 m95 -93.0 143.09 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 50.7 m -64.52 -16.87 63.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 7.3 t -105.07 137.14 43.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.912 0.387 . . . . 0.0 111.29 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.528 ' HD2' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -60.58 164.03 7.96 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.775 176.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1017 ' ' PRO . . . . . 0.507 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 81.1 Cg_exo -40.83 121.02 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.69 2.26 . . . . 0.0 112.479 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.418 ' HG3' ' CE1' ' A' ' 988' ' ' TYR . 74.5 Cg_endo -75.48 142.57 26.59 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.64 2.227 . . . . 0.0 112.699 -171.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.693 ' HB ' HD11 ' A' ' 997' ' ' ILE . 12.0 mt -126.96 163.11 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.513 173.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.453 ' N ' HG21 ' A' 1019 ' ' ILE . 5.7 t -133.76 100.15 4.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -109.45 134.86 51.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.99 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.543 ' HD3' ' H ' ' A' 1022 ' ' ARG . 0.0 OUTLIER -63.19 143.09 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.88 178.179 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1023 ' ' ILE . . . . . 0.543 ' N ' ' HD2' ' A' 1024 ' ' PRO . 66.0 mt -85.55 -50.41 0.53 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.534 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1024 ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' 1023 ' ' ILE . 49.9 Cg_endo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.194 1.929 . . . . 0.0 112.339 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 98.5 m -99.35 143.53 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.754 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -85.64 20.15 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.319 -172.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 965' ' ' THR . . . . . 0.669 HG22 HG22 ' A' ' 980' ' ' ILE . 12.0 p 61.95 137.79 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.65 176.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.409 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 72.7 Cg_endo -76.03 139.41 21.67 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.619 2.212 . . . . 0.0 112.293 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.23 138.2 46.2 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.52 2.147 . . . . 0.0 112.18 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -59.06 114.53 9.32 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.39 163.92 32.71 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.529 2.152 . . . . 0.0 112.206 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.42 134.47 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.113 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 57.31 16.74 3.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -128.13 160.89 22.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.694 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -150.99 101.11 2.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 0.0 110.876 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.55 164.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.285 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -115.45 94.59 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.998 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.92 111.28 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.818 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.14 -63.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.21 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 55.9 m -156.42 -31.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.005 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -144.2 -170.54 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.515 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.669 HG22 HG22 ' A' ' 965' ' ' THR . 1.5 pp -143.6 29.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.108 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -108.53 -172.21 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.662 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' 1004 ' ' CYS . 79.6 t -64.41 133.03 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.044 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 106.09 -16.04 42.96 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.276 -176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 84.0 p -100.72 131.75 46.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.728 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -119.89 93.86 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 44.5 pt -89.56 171.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 66.1 p -141.48 150.19 41.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.407 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.41 127.17 34.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.601 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 47.1 t -81.44 -62.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.46 -172.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 15.3 m 61.24 125.21 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 -169.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.445 HG22 ' ND1' ' A' ' 994' ' ' HIS . 3.5 t -56.47 147.34 22.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.312 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 72.5 m -54.36 130.21 38.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.227 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 105.63 7.03 37.41 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.325 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.581 ' NE2' ' HG2' ' A' 1022 ' ' ARG . 42.6 m80 -132.85 147.58 52.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 110.915 -178.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -102.82 167.8 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.593 ' HG ' ' HB2' ' A' 1000 ' ' SER . 3.9 mm? -96.9 124.24 40.82 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.198 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.774 HD12 ' HB2' ' A' 1021 ' ' GLN . 18.8 mm -87.23 45.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.182 0.515 . . . . 0.0 110.32 169.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . 0.437 ' HA3' ' HB3' ' A' 1018 ' ' PRO . . . -159.14 -95.17 0.1 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.585 -175.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -162.56 -11.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 111.095 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1000 ' ' SER . . . . . 0.593 ' HB2' ' HG ' ' A' ' 996' ' ' LEU . 35.3 t 62.86 14.1 7.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.938 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 66.3 m -158.56 145.79 17.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -143.04 165.43 27.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -139.9 129.56 24.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1004 ' ' CYS . . . . . 0.408 ' O ' HG23 ' A' ' 982' ' ' VAL . 43.2 t -72.75 104.39 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -178.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.3 pt -130.47 145.43 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.602 ' HG ' ' HB1' ' A' 1011 ' ' ALA . 4.7 mp -81.91 137.55 35.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 58.3 m -114.22 31.3 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 121.65 -95.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.531 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.0 m120 -109.81 9.43 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 110.91 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 61.1 m -149.65 122.06 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.602 ' HB1' ' HG ' ' A' 1006 ' ' LEU . . . -96.38 125.1 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.3 p80 -142.35 178.01 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.446 ' HE1' ' HA ' ' A' ' 965' ' ' THR . 84.8 m95 -85.24 139.48 31.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.99 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 50.1 m -55.55 -74.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 -172.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 79.9 p -65.02 138.07 58.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.372 -174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1016 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 154.01 76.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.602 175.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.95 103.4 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.587 2.191 . . . . 0.0 112.047 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.572 ' HB2' HD12 ' A' ' 996' ' ' LEU . 2.8 Cg_exo -76.43 153.22 34.97 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.914 2.409 . . . . 0.0 112.329 -172.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' 1020 ' ' CYS . 9.4 mt -93.02 162.57 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.68 175.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.436 ' N ' HG21 ' A' 1019 ' ' ILE . 55.6 m -101.81 96.52 7.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.812 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1021 ' ' GLN . . . . . 0.774 ' HB2' HD12 ' A' ' 997' ' ' ILE . 57.9 tp60 -62.15 124.19 20.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.059 -176.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.581 ' HG2' ' NE2' ' A' ' 994' ' ' HIS . 1.0 OUTLIER -88.56 82.8 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.639 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 35.6 pt -62.62 143.51 96.43 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.312 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.578 2.186 . . . . 0.0 112.246 -179.702 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 84.3 m -92.26 135.4 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -141.24 105.67 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 965' ' ' THR . . . . . 0.737 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 89.6 m -161.84 -53.78 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.85 -175.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 965' ' ' THR . 10.9 Cg_endo -54.56 108.34 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.831 2.354 . . . . 0.0 112.609 -174.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.09 -167.41 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.029 2.486 . . . . 0.0 112.041 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -95.03 105.98 22.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.73 134.62 41.47 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.5 2.133 . . . . 0.0 112.418 -176.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.51 141.86 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.967 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 53.38 59.24 4.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.827 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 163.07 -154.74 25.81 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.443 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -166.39 137.32 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.963 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.08 145.04 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.985 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -67.36 -60.48 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.94 -175.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 72.7 t 56.97 101.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.245 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.413 HG12 HG21 ' A' ' 986' ' ' ILE . 50.1 mm -56.86 -76.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.202 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 69.0 m -158.63 -66.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -105.35 -7.72 18.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 43.0 pt 36.41 46.98 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.872 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -91.21 -172.98 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.818 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.79 133.84 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 96.34 -23.42 34.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.53 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 44.5 t -75.12 158.15 33.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -136.7 109.88 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.956 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.413 HG21 HG12 ' A' ' 977' ' ' ILE . 42.9 pt -96.8 171.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 68.6 p -133.89 128.77 35.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.234 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.409 ' OH ' ' HB3' ' A' ' 966' ' ' PRO . 72.4 m-85 -91.58 124.64 35.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.72 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 80.1 p -132.54 128.46 37.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.004 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 72.5 m -89.58 -173.9 4.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.804 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 5.1 t -79.35 156.46 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 3.3 t -57.02 120.55 8.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.293 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 110.25 15.81 11.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.538 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -137.27 145.0 42.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.022 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.549 ' HB3' HE21 ' A' 1021 ' ' GLN . 78.6 ttt180 -106.37 153.47 22.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.538 HD12 ' H ' ' A' ' 999' ' ' HIS . 1.2 tm? -76.15 125.08 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -176.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.768 HD11 ' HB3' ' A' 1021 ' ' GLN . 37.9 mm -83.16 82.22 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.677 173.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . 0.555 ' HA2' ' NZ ' ' A' 1016 ' ' LYS . . . 153.93 -93.9 0.14 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.347 -174.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . 0.538 ' H ' HD12 ' A' ' 996' ' ' LEU . 36.7 t60 -144.64 -81.11 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.649 0.261 . . . . 0.0 110.714 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 91.0 p -176.14 -48.69 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.859 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 79.7 p -138.07 179.26 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.608 ' HB3' HG22 ' A' 1015 ' ' THR . . . -141.98 172.01 13.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -144.26 137.66 27.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.767 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 56.4 m -63.15 91.25 0.05 OUTLIER 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 18.3 pt -105.92 154.63 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.36 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 76.3 mt -104.79 126.95 52.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.887 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 51.5 m -107.37 -23.36 12.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -151.02 -81.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.424 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.63 14.69 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 51.0 m -148.15 134.3 19.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.047 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.44 115.08 14.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -126.17 143.53 51.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.63 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.516 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 71.7 m95 -67.76 146.83 53.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 68.6 p -60.01 -67.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.174 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1015 ' ' THR . . . . . 0.608 HG22 ' HB3' ' A' 1002 ' ' ALA . 9.1 t -69.79 152.77 44.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.371 -175.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.555 ' NZ ' ' HA2' ' A' ' 998' ' ' GLY . 0.0 OUTLIER -79.9 160.64 68.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.767 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -44.32 106.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.65 2.233 . . . . 0.0 112.424 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.502 ' HB3' HD13 ' A' ' 996' ' ' LEU . 57.4 Cg_endo -71.66 148.59 53.4 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.626 2.217 . . . . 0.0 112.66 -173.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.608 ' HB ' HG13 ' A' ' 997' ' ' ILE . 13.4 mm -115.17 165.36 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.567 176.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.482 ' N ' HG23 ' A' 1019 ' ' ILE . 58.5 m -111.28 107.41 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -178.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1021 ' ' GLN . . . . . 0.768 ' HB3' HD11 ' A' ' 997' ' ' ILE . 11.2 pt20 -92.78 146.29 23.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -81.51 107.22 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 61.4 mt -66.08 128.0 93.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 C--O 1.248 1.004 0 C-N-CA 122.552 2.168 . . . . 0.0 112.237 179.444 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 962' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 53.6 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.789 0.328 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 71.1 m -89.42 161.36 16.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -151.08 41.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 965' ' ' THR . . . . . 0.709 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 70.6 m -103.38 -51.79 0.13 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.292 -171.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.709 ' HD2' ' H ' ' A' ' 965' ' ' THR . 6.5 Cg_endo -49.54 105.46 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.967 2.445 . . . . 0.0 112.75 -168.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -85.27 -165.0 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.868 2.379 . . . . 0.0 112.175 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.81 110.39 63.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.774 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . 0.411 ' HG2' ' C ' ' A' ' 972' ' ' GLY . 33.5 Cg_endo -64.96 167.48 15.8 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.6 2.2 . . . . 0.0 112.394 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.12 128.95 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.768 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 57.86 12.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.085 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . 0.411 ' C ' ' HG2' ' A' ' 969' ' ' PRO . . . -130.39 -165.0 11.47 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 973' ' ' MET . . . . . 0.459 ' HG3' ' NE2' ' A' ' 975' ' ' HIS . 23.8 ptt? -163.42 135.16 4.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 110.829 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.4 145.93 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . 0.459 ' NE2' ' HG3' ' A' ' 973' ' ' MET . 77.9 m-70 -129.64 145.04 51.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 6.7 p -109.15 119.63 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.722 HD12 HG22 ' A' ' 987' ' ' THR . 48.1 mt -75.91 -35.15 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.23 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 48.2 p -138.78 -68.01 0.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -150.86 -171.16 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 980' ' ' ILE . 28.2 mm -118.96 -7.52 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 4.0 pt20 -67.29 -173.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.981 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.6 133.57 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 89.78 8.9 66.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.709 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 91.5 p -98.17 146.8 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.801 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -121.68 130.91 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' A' ' 975' ' ' HIS . 36.9 pt -128.44 169.6 19.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 987' ' ' THR . . . . . 0.722 HG22 HD12 ' A' ' 977' ' ' ILE . 71.5 p -135.29 130.45 35.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.167 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -87.63 136.96 32.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.2 m -120.89 169.15 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 22.4 t -153.23 162.37 41.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.481 HG22 ' ND1' ' A' ' 994' ' ' HIS . 5.1 t -60.8 151.78 28.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.304 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 64.7 m -60.32 137.67 58.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 94.42 8.19 60.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.327 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.481 ' ND1' HG22 ' A' ' 991' ' ' THR . 44.5 m80 -134.85 114.78 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.771 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.622 ' HB2' HD11 ' A' 1023 ' ' ILE . 9.8 mpt_? -90.36 136.82 32.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.052 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' 1018 ' ' PRO . 9.3 tt -75.5 126.6 31.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.837 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.2 79.38 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 173.29 -115.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.469 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -140.62 -0.2 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.871 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 97.3 p 49.09 27.44 1.73 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.453 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 46.6 t -162.96 161.74 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -164.78 172.85 12.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -145.61 136.11 24.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 5.3 m -68.13 88.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 30.0 pt -99.85 128.86 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.214 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 31.2 mt -86.15 117.8 25.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.04 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.675 ' HB2' ' HE2' ' A' 1012 ' ' HIS . 49.4 m -143.8 91.24 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 105.29 39.53 2.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.46 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.1 m120 57.64 24.88 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 110.997 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 7.2 t -142.51 131.71 23.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -85.9 114.3 22.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1012 ' ' HIS . . . . . 0.675 ' HE2' ' HB2' ' A' 1007 ' ' SER . 19.0 p80 -140.45 141.95 35.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.754 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.646 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 65.7 m95 -69.71 147.57 50.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 76.8 p -61.36 -62.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 77.7 p -68.07 141.79 56.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.42 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.48 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.2 OUTLIER -64.44 158.51 65.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 176.357 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1017 ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.2 Cg_endo -52.42 108.2 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.735 2.29 . . . . 0.0 112.265 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.62 ' HB3' HD21 ' A' ' 996' ' ' LEU . 36.6 Cg_exo -58.44 159.02 20.93 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.787 2.324 . . . . 0.0 112.506 -175.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.475 HG21 ' N ' ' A' 1020 ' ' CYS . 10.9 mt -132.03 164.07 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.718 177.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.475 ' N ' HG21 ' A' 1019 ' ' ILE . 79.4 m -106.16 120.28 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.982 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -112.83 104.92 12.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.851 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -56.4 145.15 28.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1023 ' ' ILE . . . . . 0.622 HD11 ' HB2' ' A' ' 995' ' ' ARG . 24.8 mm -102.53 127.3 30.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.135 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 C--O 1.248 1.022 0 C-N-CA 122.561 2.174 . . . . 0.0 112.329 179.319 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.695 0.284 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 63.4 m -79.4 125.91 30.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.842 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -65.61 94.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 65.0 p -60.68 130.99 90.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.522 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 91.7 Cg_endo -79.67 142.33 16.04 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.669 2.246 . . . . 0.0 112.53 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.52 147.26 70.32 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.5 2.133 . . . . 0.0 111.935 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -51.77 106.47 0.66 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . 0.502 ' O ' HG11 ' A' ' 970' ' ' VAL . 13.5 Cg_exo -69.97 106.23 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.761 2.307 . . . . 0.0 112.095 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.811 HG23 ' H ' ' A' ' 971' ' ' ASN . 2.9 p 43.44 -164.2 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.454 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.811 ' H ' HG23 ' A' ' 970' ' ' VAL . 23.0 m-80 -47.82 -33.17 6.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.669 0.271 . . . . 0.0 111.145 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . 0.652 ' HA2' ' HA ' ' A' ' 990' ' ' CYS . . . -61.27 121.58 26.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.534 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptm -92.1 136.17 33.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.944 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.65 141.16 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.981 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -104.12 89.39 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 7.7 p -74.65 122.55 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.914 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.457 HD13 ' O ' ' A' ' 985' ' ' ARG . 58.1 mt -58.64 -82.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.255 -175.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 47.8 m -161.47 -24.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.899 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . 0.532 ' HB3' HE22 ' A' ' 981' ' ' GLN . 10.6 m-20 -143.9 124.35 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 5.3 pt -103.97 49.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.449 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . 0.532 HE22 ' HB3' ' A' ' 979' ' ' ASP . 0.1 OUTLIER -91.31 166.71 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.763 173.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.58 134.85 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 101.29 -3.63 54.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.279 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 62.1 m -81.84 162.24 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.457 ' O ' HD13 ' A' ' 977' ' ' ILE . 40.3 ttm180 -142.16 87.85 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -178.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.408 HG21 HG13 ' A' ' 977' ' ' ILE . 44.4 pt -80.68 171.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 78.8 p -128.72 143.8 51.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.293 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.522 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 22.6 m-85 -109.84 139.87 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.796 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 33.4 t -147.85 174.94 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.052 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . 0.652 ' HA ' ' HA2' ' A' ' 972' ' ' GLY . 46.9 m -100.24 155.83 17.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.018 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 8.3 t -73.14 -4.03 30.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.353 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 80.3 m -128.41 -37.75 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 131.37 20.82 1.09 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.43 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.579 ' HB2' ' SG ' ' A' 1020 ' ' CYS . 42.9 m-70 -73.57 -173.43 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.858 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.565 ' HE ' ' H ' ' A' ' 996' ' ' LEU . 6.2 tpm_? -93.84 148.32 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -175.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.565 ' H ' ' HE ' ' A' ' 995' ' ' ARG . 1.3 tm? -95.53 114.58 26.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.465 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.615 HD11 ' HB ' ' A' 1019 ' ' ILE . 3.9 mp -82.39 87.25 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.578 177.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 149.26 -108.97 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.405 -176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . 0.477 ' NE2' ' HB3' ' A' 1001 ' ' SER . 19.2 t-160 -144.6 117.75 8.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 110.798 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 80.4 p -82.07 34.57 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1001 ' ' SER . . . . . 0.477 ' HB3' ' NE2' ' A' ' 999' ' ' HIS . 43.7 t -157.28 158.64 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.713 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' 1013 ' ' TRP . . . -137.48 164.36 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.483 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1003 ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' 1005 ' ' ILE . 41.1 tt0 -153.43 104.64 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.54 175.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 43.2 t -57.24 98.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1005 ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' 1003 ' ' GLU . 40.7 pt -123.04 139.51 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.302 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.578 ' HG ' ' HB3' ' A' 1011 ' ' ALA . 4.2 mp -88.39 158.71 18.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.455 ' HG ' ' HE2' ' A' 1012 ' ' HIS . 78.5 p -153.5 17.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 95.36 -24.17 30.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.532 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -110.61 62.15 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.851 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 30.3 m 63.69 133.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.413 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.578 ' HB3' ' HG ' ' A' 1006 ' ' LEU . . . -61.73 115.23 3.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1012 ' ' HIS . . . . . 0.455 ' HE2' ' HG ' ' A' 1007 ' ' SER . 16.4 p80 -127.53 155.24 44.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.519 ' HB3' ' HB3' ' A' 1002 ' ' ALA . 55.4 m95 -70.69 142.82 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.711 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 78.9 p -74.79 4.11 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.344 -173.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1015 ' ' THR . . . . . 0.468 HG23 ' CE1' ' A' ' 988' ' ' TYR . 41.4 p -59.9 137.11 58.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.968 0.413 . . . . 0.0 111.616 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' 1016 ' ' LYS . 0.5 OUTLIER -85.04 155.54 60.78 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.193 167.069 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -43.05 101.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.73 2.286 . . . . 0.0 112.67 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -81.89 146.19 14.54 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.74 2.293 . . . . 0.0 112.521 -175.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.615 ' HB ' HD11 ' A' ' 997' ' ' ILE . 13.8 mt -137.61 164.6 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' A' ' 994' ' ' HIS . 46.7 t -124.16 117.8 25.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.757 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1021 ' ' GLN . . . . . 0.527 ' O ' ' HB3' ' A' ' 994' ' ' HIS . 25.3 tp60 -128.6 121.98 29.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.965 -175.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.574 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 36.0 ttm180 -56.59 116.54 3.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 12.7 pt -77.07 136.65 65.78 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.212 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.587 2.191 . . . . 0.0 112.272 179.638 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 962' ' ' SER . . . . . 0.538 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 51.0 m . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.894 0.378 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 98.4 m -66.46 174.3 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.762 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -124.91 38.48 4.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.064 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 965' ' ' THR . . . . . 0.597 HG23 HG23 ' A' ' 980' ' ' ILE . 19.1 p 61.16 135.88 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.875 174.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.45 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 93.1 Cg_endo -80.0 134.35 10.53 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.71 141.4 64.77 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.616 2.211 . . . . 0.0 112.201 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 969' ' ' PRO . 2.9 p30 -55.83 107.77 0.99 Allowed Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 -177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . 0.448 ' O ' HG11 ' A' ' 970' ' ' VAL . 3.1 Cg_exo -81.55 121.45 3.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.047 2.498 . . . . 0.0 112.37 -176.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.818 HG22 ' H ' ' A' ' 971' ' ' ASN . 2.8 p 44.31 -164.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.695 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.818 ' H ' HG22 ' A' ' 970' ' ' VAL . 2.7 m-20 -48.11 -35.25 11.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.779 0.323 . . . . 0.0 111.225 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . 0.631 ' H ' HG13 ' A' ' 970' ' ' VAL . . . -64.84 171.47 22.09 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.592 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 973' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 973' ' ' MET . 1.5 pmm? -143.68 143.92 31.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.0 p -88.19 134.88 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -94.79 118.01 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 83.9 t -90.88 114.59 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 175.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.546 HG22 HG23 ' A' ' 978' ' ' THR . 56.6 mt -61.23 -70.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.24 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 978' ' ' THR . . . . . 0.546 HG23 HG22 ' A' ' 977' ' ' ILE . 41.2 p -143.1 -54.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -128.44 -164.59 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.597 HG23 HG23 ' A' ' 965' ' ' THR . 2.2 pt -150.35 34.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.096 -175.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 75.6 mt-30 -96.53 -173.85 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.812 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.18 139.76 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.034 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 93.04 -14.82 64.33 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.54 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 54.9 m -80.04 134.2 36.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -133.7 87.33 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.51 HG22 HG13 ' A' ' 977' ' ' ILE . 40.5 pt -82.74 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 177.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 987' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' 1001 ' ' SER . 68.0 p -128.15 142.89 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.36 -174.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.627 ' HE1' ' HB2' ' A' 1002 ' ' ALA . 87.3 m-85 -89.98 145.54 25.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.776 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 28.6 t -142.1 172.91 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.794 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 36.0 t -117.1 163.5 16.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 8.0 t -71.87 -6.8 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.462 -172.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 85.5 m -134.55 -33.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 126.16 13.37 3.26 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.263 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.602 ' HB3' ' H ' ' A' 1022 ' ' ARG . 73.8 m-70 -62.1 148.0 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -62.29 146.79 50.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 -175.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' 1018 ' ' PRO . 6.7 tp -87.82 121.19 29.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.826 HD11 ' HB ' ' A' 1019 ' ' ILE . 3.8 mp -75.22 80.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.061 0.458 . . . . 0.0 110.247 170.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 166.39 -104.45 0.22 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.425 -173.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . 0.422 ' H ' HD21 ' A' ' 996' ' ' LEU . 0.8 OUTLIER -134.7 -91.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.637 0.256 . . . . 0.0 111.129 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 47.8 t 177.35 -35.81 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1001 ' ' SER . . . . . 0.502 ' HB2' HG22 ' A' ' 987' ' ' THR . 44.0 t -150.93 158.05 43.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -175.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' 1013 ' ' TRP . . . -119.52 163.53 17.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.339 -176.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -135.55 124.11 23.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.704 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 40.8 t -61.18 106.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.5 pt -126.09 144.91 34.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.574 HD23 ' HB1' ' A' 1011 ' ' ALA . 70.5 mt -78.61 126.18 30.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 176.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 50.7 m -118.55 20.98 12.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 150.23 -111.51 0.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.432 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -96.61 -1.29 47.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 77.1 m -150.84 137.3 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.574 ' HB1' HD23 ' A' 1006 ' ' LEU . . . -80.55 126.08 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -118.96 168.45 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.792 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.641 ' HB3' ' HB3' ' A' 1002 ' ' ALA . 84.7 m95 -87.22 139.89 30.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 80.5 p -87.81 44.42 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.32 -171.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 11.6 p -118.14 131.71 56.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.894 0.378 . . . . 0.0 111.567 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.449 ' HB3' ' HD2' ' A' 1017 ' ' PRO . 79.5 mttt -60.28 158.39 28.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.494 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1017 ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' 1016 ' ' LYS . 7.6 Cg_endo -49.58 104.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.813 2.342 . . . . 0.0 112.318 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.442 ' HB2' HD13 ' A' ' 996' ' ' LEU . 78.9 Cg_endo -79.06 139.05 14.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.676 2.251 . . . . 0.0 112.488 -175.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.826 ' HB ' HD11 ' A' ' 997' ' ' ILE . 13.1 mt -141.51 166.88 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.748 -177.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.518 ' N ' HG21 ' A' 1019 ' ' ILE . 72.6 m -100.78 103.81 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.789 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1021 ' ' GLN . . . . . 0.507 ' HB2' HD13 ' A' ' 997' ' ' ILE . 53.6 tt0 -65.39 -20.04 66.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.059 -176.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.602 ' H ' ' HB3' ' A' ' 994' ' ' HIS . 55.5 ttp180 64.15 113.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.018 -177.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 68.9 mt -100.71 116.83 63.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.049 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.541 2.161 . . . . 0.0 112.232 179.742 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 79.7 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.73 0.3 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.88 146.48 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.076 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -140.0 99.47 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.515 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 965' ' ' THR . . . . . 0.64 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 87.3 m -158.2 -55.89 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.992 -171.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.64 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 71.2 Cg_exo -50.36 104.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.878 2.386 . . . . 0.0 112.824 -168.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -88.7 -163.37 0.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.943 2.429 . . . . 0.0 112.205 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -96.82 102.99 13.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 173.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.72 138.27 82.06 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.656 2.238 . . . . 0.0 112.271 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.06 132.87 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.032 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.4 ' C ' HG23 ' A' ' 991' ' ' THR . 79.5 m-20 53.03 59.3 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 168.3 -156.12 27.36 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.3 ptm -164.07 142.34 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.954 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.2 p -88.02 146.3 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -110.34 102.65 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.151 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.0 110.58 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.713 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 986' ' ' ILE . 49.6 mm -60.23 -56.83 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.234 -177.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 45.4 m -157.09 -33.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -148.63 -168.65 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.596 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 2.6 pt -146.34 37.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -108.99 -175.99 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.78 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.96 137.43 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.027 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 88.95 -10.13 73.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 56.9 m -94.95 132.53 39.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.825 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' 1002 ' ' ALA . 56.9 ttp180 -121.46 105.77 10.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.411 ' HA ' HG12 ' A' ' 977' ' ' ILE . 48.9 pt -89.74 177.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 71.7 p -136.23 131.55 34.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.313 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.474 ' HE2' ' HB1' ' A' 1002 ' ' ALA . 89.1 m-85 -96.22 152.62 18.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.709 177.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 90.7 p -152.25 144.82 24.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 48.1 t -108.05 168.42 9.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.629 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 971' ' ' ASN . 11.2 p -58.86 158.4 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.36 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 62.7 m -62.14 135.55 57.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.095 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 96.99 6.87 57.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.334 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.455 ' NE2' ' HD3' ' A' 1022 ' ' ARG . 25.1 m80 -127.2 171.46 11.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 110.767 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -135.66 125.89 26.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.789 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' 1019 ' ' ILE . 36.4 tp -67.74 124.17 22.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' 1021 ' ' GLN . 4.0 mp -81.1 78.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -178.92 -126.22 0.99 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.23 3.62 3.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.747 0.308 . . . . 0.0 111.143 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1000 ' ' SER . . . . . 0.5 ' HA ' HD23 ' A' ' 996' ' ' LEU . 34.3 t 58.67 20.8 8.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.009 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 68.1 m -157.85 -176.28 5.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.959 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.474 ' HB1' ' HE2' ' A' ' 988' ' ' TYR . . . -170.21 149.16 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1003 ' ' GLU . . . . . 0.461 ' HG2' HG21 ' A' 1005 ' ' ILE . 40.7 tt0 -129.09 120.28 25.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.975 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 41.2 t -71.34 102.06 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1005 ' ' ILE . . . . . 0.461 HG21 ' HG2' ' A' 1003 ' ' GLU . 42.9 pt -127.62 153.86 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.417 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 39.9 mt -94.46 161.21 14.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 84.8 p -147.87 -27.42 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.982 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -154.06 -86.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.586 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -130.75 -9.64 3.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.816 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 63.4 m -132.29 115.68 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -65.37 130.66 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 16.6 p80 -139.71 145.51 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.737 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.56 ' HE1' ' HD3' ' A' ' 966' ' ' PRO . 69.6 m95 -67.94 142.63 55.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 46.8 t -73.22 -7.76 52.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.356 -172.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 80.8 p -106.78 150.77 25.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 111.271 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.461 ' HB3' ' NZ ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -72.12 154.59 92.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.57 146.52 19.61 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.541 2.16 . . . . 0.0 112.306 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.35 138.31 29.9 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.511 ' O ' HD13 ' A' ' 996' ' ' LEU . 11.3 mt -136.89 164.1 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.691 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.485 ' N ' HG23 ' A' 1019 ' ' ILE . 83.9 m -124.92 125.34 43.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.729 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1021 ' ' GLN . . . . . 0.593 ' HB3' HD11 ' A' ' 997' ' ' ILE . 20.0 pt20 -90.74 -25.54 19.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.455 ' HD3' ' NE2' ' A' ' 994' ' ' HIS . 32.1 tpt180 55.51 87.63 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.876 -179.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 24.0 pt -69.34 144.77 95.12 Favored Pre-proline 0 N--CA 1.452 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.272 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.534 2.156 . . . . 0.0 112.295 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.961 0.41 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 74.6 m -59.12 160.56 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.026 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -90.93 110.0 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.685 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 965' ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' A' ' 966' ' ' PRO . 82.8 p -52.57 135.07 44.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.208 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.537 ' HB2' ' HE2' ' A' ' 988' ' ' TYR . 22.8 Cg_exo -64.02 130.73 28.3 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.599 2.199 . . . . 0.0 112.197 -176.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . 0.4 ' O ' ' HD3' ' A' ' 969' ' ' PRO . 34.8 Cg_endo -64.2 127.64 19.71 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.525 2.15 . . . . 0.0 112.139 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -74.42 112.25 16.41 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.033 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 967' ' ' PRO . 21.4 Cg_exo -65.23 -162.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.681 2.254 . . . . 0.0 112.178 177.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 10.3 p -52.98 129.25 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.423 ' HB3' ' OG1' ' A' ' 991' ' ' THR . 2.0 m-20 45.65 46.79 11.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.023 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -93.51 159.44 24.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 49.0 tpp -163.18 98.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.67 150.75 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -129.36 138.81 51.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.934 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . 0.596 ' HA ' HG22 ' A' ' 986' ' ' ILE . 7.1 p -91.66 127.65 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 177.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.466 HG12 ' HA ' ' A' ' 986' ' ' ILE . 46.6 mm -92.64 -39.34 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.26 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 49.3 p -138.62 -66.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.284 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -148.31 -168.89 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.757 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 980' ' ' ILE . 31.4 mm -124.27 -4.19 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.632 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.87 -171.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.849 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.43 138.53 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.085 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 85.19 7.22 83.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.436 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 88.7 p -85.76 144.7 27.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -132.5 90.9 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.596 HG22 ' HA ' ' A' ' 976' ' ' VAL . 33.9 pt -82.13 178.27 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 987' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' 1001 ' ' SER . 74.1 p -135.43 128.88 32.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.28 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.537 ' HE2' ' HB2' ' A' ' 966' ' ' PRO . 0.2 OUTLIER -100.31 138.92 36.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.678 176.357 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.6 m -146.69 -11.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.417 -174.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 83.6 m 57.57 -167.14 0.13 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.423 ' OG1' ' HB3' ' A' ' 971' ' ' ASN . 7.3 p -66.0 161.77 20.78 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.29 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 80.7 m -71.12 108.52 4.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 119.5 7.26 9.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.485 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -124.82 134.51 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.506 ' HE ' ' H ' ' A' ' 996' ' ' LEU . 6.9 tpm_? -91.99 126.03 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -178.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.799 HD12 ' HB2' ' A' 1018 ' ' PRO . 8.5 tp -71.77 133.68 45.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.787 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.828 ' HB ' HD12 ' A' 1019 ' ' ILE . 22.9 mm -96.02 58.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.034 0.445 . . . . 0.0 110.725 176.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -151.96 -121.93 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.543 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -126.8 -0.17 6.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1000 ' ' SER . . . . . 0.419 ' H ' HD23 ' A' ' 996' ' ' LEU . 33.7 t 58.34 30.56 19.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1001 ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 987' ' ' THR . 30.4 t -174.29 -177.39 1.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.694 -176.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.526 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -166.42 167.37 15.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -148.19 134.0 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.983 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 16.7 m -76.72 100.17 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.174 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 32.3 pt -112.09 169.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.429 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 69.2 mt -126.62 130.82 51.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.942 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 85.1 p -148.84 11.59 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -155.25 -92.88 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -145.7 -9.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 4.9 t -133.48 131.81 40.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.196 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -68.05 113.54 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.0 p80 -115.52 -177.36 3.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.642 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.526 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 82.2 m95 -97.65 136.7 37.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.4 t -71.6 -8.32 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.209 -173.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1015 ' ' THR . . . . . 0.456 HG21 ' O ' ' A' 1001 ' ' SER . 70.0 p -100.56 132.76 45.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.239 -177.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' 1016 ' ' LYS . 0.1 OUTLIER -58.87 159.11 14.14 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.969 178.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1017 ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.9 Cg_endo -51.29 113.08 0.96 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.777 2.318 . . . . 0.0 112.212 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.799 ' HB2' HD12 ' A' ' 996' ' ' LEU . 43.0 Cg_endo -67.96 160.93 46.33 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.636 2.224 . . . . 0.0 112.5 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.828 HD12 ' HB ' ' A' ' 997' ' ' ILE . 2.0 mp -129.91 162.61 37.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.747 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.479 ' N ' HG23 ' A' 1019 ' ' ILE . 65.2 m -118.91 87.44 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.779 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -80.36 139.76 36.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.668 ' H ' ' HD2' ' A' 1022 ' ' ARG . 0.0 OUTLIER -101.14 81.31 2.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.745 175.264 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1023 ' ' ILE . . . . . 0.489 HD11 ' O ' ' A' 1023 ' ' ILE . 1.6 pp -57.02 152.6 27.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.375 -176.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.444 2.096 . . . . 0.0 112.334 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 962' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 48.1 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.006 0.431 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.11 167.86 21.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.142 -177.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.47 -167.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.49 172.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 69.8 p -127.11 129.94 23.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.132 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.448 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 57.2 Cg_endo -71.02 154.77 62.59 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.602 2.201 . . . . 0.0 112.34 -178.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.41 141.25 67.13 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.62 2.213 . . . . 0.0 112.229 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.09 116.02 14.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . 0.431 ' HG3' ' HG2' ' A' 1018 ' ' PRO . 33.2 Cg_exo -58.07 155.82 32.22 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.664 2.243 . . . . 0.0 112.243 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.88 128.94 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 991' ' ' THR . 72.0 m-20 52.87 31.79 11.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -178.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.91 166.88 28.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.61 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.1 ptm -143.22 129.76 20.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.7 p -82.14 142.96 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.011 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -102.2 86.13 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.67 122.96 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 175.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.639 HG12 HG23 ' A' ' 986' ' ' ILE . 48.2 mm -56.25 -81.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 -175.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 46.5 p -147.65 -57.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.042 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -132.25 -3.98 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.558 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 40.0 pt 39.9 49.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.744 173.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . 0.561 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 51.5 mt-30 -70.64 -169.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.724 176.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.48 130.69 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.038 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.17 -12.16 70.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 54.9 m -66.96 156.99 34.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' 1002 ' ' ALA . 40.2 ttm180 -139.6 115.58 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.639 HG23 HG12 ' A' ' 977' ' ' ILE . 38.5 pt -102.55 176.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 175.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 67.5 p -135.13 140.33 45.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.198 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.448 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 77.2 m-85 -102.49 146.15 28.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 54.0 m -154.14 135.79 14.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 111.203 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 14.9 t -88.02 175.32 7.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.376 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 971' ' ' ASN . 3.8 p -58.56 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.942 0.401 . . . . 0.0 111.416 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 992' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 993' ' ' GLY . 5.8 m -77.89 168.93 19.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.625 177.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . 0.507 ' H ' HG23 ' A' ' 992' ' ' THR . . . -53.87 96.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.466 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.614 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 28.9 m-70 -133.72 160.62 37.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.852 -176.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.1 140.43 29.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' 1018 ' ' PRO . 20.7 tp -91.62 129.54 37.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.711 HD13 ' HB ' ' A' 1019 ' ' ILE . 4.0 mp -82.31 85.91 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.975 0.417 . . . . 0.0 110.686 175.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 146.48 -108.62 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.362 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -154.76 128.25 8.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.702 0.287 . . . . 0.0 110.739 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 79.2 p -79.86 41.63 0.51 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.279 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 85.0 p -175.42 151.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 985' ' ' ARG . . . -146.78 168.49 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -142.5 135.39 28.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.759 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 1.7 m -65.73 103.88 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 31.5 pt -121.41 125.85 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.184 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' 1006 ' ' LEU . 4.5 mp -83.25 130.75 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.877 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.0 p -100.13 16.75 23.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 140.19 -101.33 0.3 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 57.3 t30 -96.53 -4.52 41.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.783 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 6.9 t -128.78 155.09 45.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.415 ' HB3' ' HG ' ' A' 1006 ' ' LEU . . . -124.89 133.32 53.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.2 p80 -145.77 -176.73 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1013 ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.99 153.84 18.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 33.6 t -93.81 33.71 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 9.8 t -132.99 140.9 48.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.33 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.55 ' HZ1' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -74.96 159.63 82.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.73 176.212 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1017 ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 7.2 Cg_endo -49.45 107.87 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.783 2.322 . . . . 0.0 112.186 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.714 ' HB2' HD12 ' A' ' 996' ' ' LEU . 58.5 Cg_endo -71.94 146.59 47.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.717 2.278 . . . . 0.0 112.55 -174.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.711 ' HB ' HD13 ' A' ' 997' ' ' ILE . 10.9 mt -132.02 164.57 34.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.642 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.486 ' N ' HG22 ' A' 1019 ' ' ILE . 48.6 t -105.35 122.25 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.746 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -46.56 16.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 -174.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.614 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 58.8 ttp180 65.12 112.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.179 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 3.4 pt -107.04 107.16 60.07 Favored Pre-proline 0 N--CA 1.451 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.189 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 122.541 2.16 . . . . 0.0 112.229 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.844 0.354 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 88.5 m -74.88 169.85 17.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.961 177.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 964' ' ' LYS . 0.3 OUTLIER -78.89 110.84 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 -179.521 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 61.1 p -59.41 135.79 88.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.13 112.76 1.32 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.64 2.227 . . . . 0.0 112.227 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.92 71.85 4.07 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.582 2.188 . . . . 0.0 112.391 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.4 t70 51.65 91.83 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.245 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.51 -154.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.838 2.359 . . . . 0.0 112.397 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.787 HG23 ' H ' ' A' ' 971' ' ' ASN . 3.1 p -55.56 -174.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.868 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.787 ' H ' HG23 ' A' ' 970' ' ' VAL . 22.2 m-80 -42.38 -32.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 111.357 -176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . 0.596 ' H ' HG11 ' A' ' 970' ' ' VAL . . . -70.13 111.11 3.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.581 176.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 973' ' ' MET . . . . . 0.572 ' HE2' ' HE2' ' A' ' 975' ' ' HIS . 0.0 OUTLIER -66.86 146.32 54.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.819 0.342 . . . . 0.0 110.972 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.26 149.68 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . 0.572 ' HE2' ' HE2' ' A' ' 973' ' ' MET . 73.2 m-70 -126.02 150.96 47.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 -177.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 95.1 t -111.26 115.81 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.814 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.616 HG23 HG23 ' A' ' 978' ' ' THR . 50.4 mm -65.31 -51.28 66.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.28 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 978' ' ' THR . . . . . 0.616 HG23 HG23 ' A' ' 977' ' ' ILE . 54.1 p -140.49 -65.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.305 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -144.79 -173.34 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.475 HG23 ' HZ2' ' A' 1013 ' ' TRP . 27.6 mm -123.87 65.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.697 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -122.82 165.17 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.703 -177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . 0.421 ' HA ' ' HB3' ' A' 1004 ' ' CYS . 4.6 p -64.05 120.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.964 177.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 106.88 -11.4 41.35 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.465 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 52.4 m -93.5 142.92 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.757 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' 1002 ' ' ALA . 60.7 ttp180 -119.1 121.62 40.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.995 -177.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.483 ' HA ' HG12 ' A' ' 977' ' ' ILE . 42.2 pt -94.29 175.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 175.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 76.1 p -133.99 133.04 40.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.348 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -95.94 152.24 18.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.597 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.7 m -147.93 133.51 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.057 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 994' ' ' HIS . 95.3 m -84.73 172.21 11.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.021 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.479 ' HG1' ' H ' ' A' ' 992' ' ' THR . 22.8 p -62.16 -76.61 0.06 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.51 -176.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 992' ' ' THR . . . . . 0.479 ' H ' ' HG1' ' A' ' 991' ' ' THR . 28.2 m -120.1 74.65 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 -178.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 56.66 86.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.862 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.533 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 15.9 m-70 -127.6 136.03 51.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.728 0.299 . . . . 0.0 110.777 176.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -71.0 113.99 8.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.23 131.04 44.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.003 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.615 HD12 ' HB ' ' A' 1019 ' ' ILE . 1.7 mt -89.52 34.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.393 0.616 . . . . 0.0 110.553 177.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -160.7 -110.05 0.26 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.438 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . 0.505 ' HB2' HG22 ' A' 1015 ' ' THR . 1.5 t-80 -137.52 141.71 41.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 34.3 t -87.17 28.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.957 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1001 ' ' SER . . . . . 0.444 ' HG ' ' HD1' ' A' ' 999' ' ' HIS . 80.9 p -168.61 169.9 9.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.62 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -163.35 155.4 17.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.67 133.94 45.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.989 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1004 ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 52.5 t -64.24 96.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.827 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 33.9 pt -99.73 -178.41 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.413 -176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.427 ' HG ' ' HE2' ' A' 1012 ' ' HIS . 7.2 mt 54.03 -171.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.388 -175.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 58.4 m -172.87 -178.71 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.787 -170.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 63.34 -126.08 35.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.681 176.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -74.17 -6.28 46.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.916 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1010 ' ' THR . . . . . 0.483 HG22 ' H ' ' A' 1011 ' ' ALA . 3.9 m -125.24 162.4 24.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.483 ' H ' HG22 ' A' 1010 ' ' THR . . . 173.5 118.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.69 -170.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1012 ' ' HIS . . . . . 0.427 ' HE2' ' HG ' ' A' 1006 ' ' LEU . 3.2 p80 -167.38 171.7 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.855 -175.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.62 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 80.9 m95 -92.03 145.27 24.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.778 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 52.2 m -52.85 -70.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -173.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1015 ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 999' ' ' HIS . 79.0 p -82.0 138.97 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -57.56 155.64 19.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.917 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.07 107.43 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.74 2.293 . . . . 0.0 112.47 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.69 156.64 26.56 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.65 2.234 . . . . 0.0 112.42 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.615 ' HB ' HD12 ' A' ' 997' ' ' ILE . 10.4 mt -127.57 162.86 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.671 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.449 ' N ' HG21 ' A' 1019 ' ' ILE . 70.0 m -107.6 107.86 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -68.83 -24.08 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.988 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.533 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 57.3 ttp180 63.86 115.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1023 ' ' ILE . . . . . 0.658 ' HB ' ' HD3' ' A' 1024 ' ' PRO . 64.1 mt -95.18 -51.65 0.24 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.533 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1024 ' ' PRO . . . . . 0.658 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 48.9 Cg_exo . . . . . 0 C--O 1.248 1.024 0 C-N-CA 122.325 2.016 . . . . 0.0 112.315 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.755 0.312 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 1.7 p -81.58 152.98 26.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -166.33 78.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.365 -175.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 965' ' ' THR . . . . . 0.729 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 91.0 m -112.67 -55.14 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.009 -170.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.729 ' HD2' ' H ' ' A' ' 965' ' ' THR . 22.2 Cg_endo -61.11 106.99 0.42 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.674 2.249 . . . . 0.0 112.533 -171.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 965' ' ' THR . 73.0 Cg_endo -89.82 55.7 1.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.944 2.43 . . . . 0.0 112.235 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 8.8 t70 55.34 94.82 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.41 144.46 18.11 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.815 2.343 . . . . 0.0 112.598 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.41 128.78 18.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.022 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 991' ' ' THR . 78.2 m-20 52.81 78.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.722 -176.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 140.41 -159.13 26.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.524 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.6 ptm -164.05 148.75 10.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 0.0 111.026 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.1 p -95.8 145.72 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.016 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -117.94 123.17 45.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.001 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' A' ' 986' ' ' ILE . 9.4 p -89.74 139.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 49.6 mm -57.61 -73.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.131 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 60.8 m -140.74 -41.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -139.18 176.35 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.651 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 30.6 mt -125.0 68.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.018 0.437 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -125.3 -177.76 3.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.762 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.72 140.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.088 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 90.71 -17.69 53.61 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 50.2 m -73.12 151.64 41.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.741 0.305 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -138.67 88.9 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.423 HG22 ' HA ' ' A' ' 976' ' ' VAL . 34.9 pt -77.57 171.36 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 73.4 p -132.4 140.24 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.323 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -101.94 143.33 31.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.687 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 51.6 m -119.6 -36.98 3.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.351 -174.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 42.7 t 62.24 163.92 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.539 HG21 ' ND1' ' A' ' 994' ' ' HIS . 4.4 t -58.12 144.32 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.054 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 5.7 t -56.11 137.46 51.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.274 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 89.51 15.21 58.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.391 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.539 ' ND1' HG21 ' A' ' 991' ' ' THR . 51.8 m80 -136.66 118.67 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 111.0 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -94.69 114.15 26.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.701 176.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.475 HD11 ' O ' ' A' ' 996' ' ' LEU . 3.0 pp -57.51 154.45 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -176.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 40.5 mm -127.95 90.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.054 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . 0.539 ' HA3' ' HD3' ' A' 1016 ' ' LYS . . . 137.88 -46.1 1.02 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.89 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . 0.505 ' CD2' ' HA ' ' A' 1018 ' ' PRO . 3.8 m-70 -68.6 -77.81 0.07 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -172.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1000 ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' 1001 ' ' SER . 96.3 p 51.08 54.61 10.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.429 -174.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1001 ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' 1000 ' ' SER . 43.7 t 67.52 158.34 0.14 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.987 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.402 ' HB3' HG23 ' A' 1015 ' ' THR . . . -142.24 -179.16 6.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.264 -175.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -139.96 122.4 16.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.741 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.6 t -60.26 99.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 40.3 pt -122.18 132.82 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.57 ' HG ' ' HB1' ' A' 1011 ' ' ALA . 4.5 mp -84.07 143.47 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.2 p -140.3 23.07 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 162.17 -124.06 1.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 58.1 t30 -92.39 -5.25 52.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.786 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 58.2 m -142.02 141.84 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.57 ' HB1' ' HG ' ' A' 1006 ' ' LEU . . . -87.88 131.52 34.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -124.47 159.39 30.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.489 ' CD1' ' HB ' ' A' ' 965' ' ' THR . 62.5 m95 -88.83 155.05 19.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.6 m -82.2 37.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.291 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1015 ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' 1002 ' ' ALA . 43.2 p -138.81 128.79 25.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.917 0.389 . . . . 0.0 111.412 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.58 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.0 OUTLIER -61.38 165.73 6.47 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.733 175.8 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1017 ' ' PRO . . . . . 0.58 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 70.6 Cg_exo -38.97 134.96 0.89 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.774 2.316 . . . . 0.0 112.757 178.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.505 ' HA ' ' CD2' ' A' ' 999' ' ' HIS . 31.9 Cg_exo -59.88 142.06 97.84 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.776 2.317 . . . . 0.0 112.792 -171.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.478 HG23 ' N ' ' A' 1020 ' ' CYS . 12.0 mt -135.8 163.71 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.571 173.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 94.6 m -146.45 133.54 20.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.951 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -113.03 121.8 45.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -60.6 127.41 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 63.6 mt -88.25 112.81 52.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.499 2.133 . . . . 0.0 112.318 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.694 0.283 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . 0.581 ' HB2' HG23 ' A' ' 980' ' ' ILE . 55.5 m -94.92 133.57 38.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.841 -178.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -84.1 99.54 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.07 149.49 45.4 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.659 -176.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.58 ' HG2' HG13 ' A' ' 974' ' ' VAL . 72.5 Cg_endo -75.45 142.72 26.86 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.976 2.451 . . . . 0.0 112.363 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.93 145.22 35.63 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.583 2.189 . . . . 0.0 112.276 177.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.31 119.17 70.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . 0.508 ' HG3' ' HE1' ' A' ' 988' ' ' TYR . 71.6 Cg_endo -76.85 -166.25 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.597 2.198 . . . . 0.0 112.453 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 11.5 p -72.27 136.7 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.439 ' HB3' ' CG2' ' A' ' 991' ' ' THR . 65.9 m-20 54.12 20.69 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.081 177.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -135.72 158.44 23.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.749 -174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.8 ptm -155.47 128.67 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.71 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . 0.58 HG13 ' HG2' ' A' ' 966' ' ' PRO . 9.9 m -71.76 175.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.373 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . 0.501 ' HB3' ' OG1' ' A' ' 987' ' ' THR . 29.1 t60 -147.68 92.77 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.816 -178.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . 0.6 ' HA ' HG21 ' A' ' 986' ' ' ILE . 7.7 m -72.05 135.29 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 50.7 mm -51.45 -71.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.069 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 59.4 m -146.49 -33.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.71 -179.54 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.689 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.581 HG23 ' HB2' ' A' ' 963' ' ' CYS . 26.6 mt -119.77 63.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.05 0.452 . . . . 0.0 110.787 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -117.82 151.3 37.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.853 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 6.0 p -59.14 128.05 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 116.56 -20.04 12.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.428 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 81.1 p -82.07 -179.46 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 0.0 110.807 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -147.93 86.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.992 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.6 HG21 ' HA ' ' A' ' 976' ' ' VAL . 44.6 pt -70.65 172.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 176.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 987' ' ' THR . . . . . 0.501 ' OG1' ' HB3' ' A' ' 975' ' ' HIS . 82.4 p -123.72 172.23 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 111.273 -177.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.508 ' HE1' ' HG3' ' A' ' 969' ' ' PRO . 0.7 OUTLIER -140.11 92.99 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.644 -175.637 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 79.0 p -114.29 130.39 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.2 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 77.1 m -88.51 -169.89 2.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.667 173.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.483 HG23 ' ND1' ' A' ' 994' ' ' HIS . 3.3 t -72.77 149.8 43.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 62.1 m -58.95 106.82 0.45 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . 125.51 6.65 6.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.438 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.483 ' ND1' HG23 ' A' ' 991' ' ' THR . 32.4 m80 -133.75 108.24 8.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 110.813 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.534 ' NH1' HG13 ' A' ' 997' ' ' ILE . 0.0 OUTLIER -77.86 146.0 35.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.008 -178.253 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.742 HD11 ' HA ' ' A' 1000 ' ' SER . 2.3 mt -79.53 141.46 36.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.089 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.831 HD11 ' HB ' ' A' 1019 ' ' ILE . 3.6 mp -105.42 63.7 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.532 171.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -165.28 -118.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.677 -176.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -111.01 -20.34 12.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.727 0.299 . . . . 0.0 111.328 -173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1000 ' ' SER . . . . . 0.742 ' HA ' HD11 ' A' ' 996' ' ' LEU . 34.9 t 59.69 19.24 7.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 35.5 t -173.33 178.39 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.435 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -157.04 151.68 25.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.882 0.372 . . . . 0.0 111.466 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -145.5 115.9 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 44.6 t -64.27 105.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -174.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 27.8 pt -100.39 -171.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.296 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.584 HD12 ' HD2' ' A' 1012 ' ' HIS . 30.5 mt 57.0 -173.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.108 -176.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 74.9 m -169.81 175.13 5.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.016 -170.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 59.99 -124.96 37.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.554 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.87 -21.06 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.41 . . . . 0.0 110.836 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.5 153.51 19.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.261 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . 179.99 101.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.562 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1012 ' ' HIS . . . . . 0.584 ' HD2' HD12 ' A' 1006 ' ' LEU . 50.2 m-70 -138.46 168.0 20.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.996 -170.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1013 ' ' TRP . . . . . . . . . . . . . 82.8 m95 -105.44 130.65 53.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.663 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 51.2 m -60.63 -16.27 36.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.46 -170.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 8.1 t -84.95 141.72 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 0.0 111.461 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1016 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 151.51 55.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.42 172.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.09 104.07 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.619 2.213 . . . . 0.0 112.042 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.467 ' O ' HD13 ' A' 1019 ' ' ILE . 84.8 Cg_endo -82.25 178.6 6.16 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.679 2.253 . . . . 0.0 112.493 -173.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.831 ' HB ' HD11 ' A' ' 997' ' ' ILE . 12.5 mm -125.29 163.0 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.455 ' N ' HG22 ' A' 1019 ' ' ILE . 37.3 m -114.06 78.77 1.18 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.727 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -96.95 136.28 37.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 993' ' ' GLY . 58.3 ttp180 -60.62 132.24 53.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1023 ' ' ILE . . . . . 0.452 HG12 ' HB3' ' A' ' 995' ' ' ARG . 63.0 mt -62.7 125.98 87.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 -178.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.25 1.083 0 C-N-CA 122.538 2.159 . . . . 0.0 112.297 179.619 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.787 0.327 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 86.6 m -95.79 127.03 41.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.94 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -75.22 128.87 36.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 965' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 966' ' ' PRO . 58.3 p -53.83 135.85 55.92 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.03 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.435 ' HG3' ' CD1' ' A' 1013 ' ' TRP . 15.7 Cg_exo -68.03 135.85 36.16 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.649 2.233 . . . . 0.0 112.225 -174.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.84 123.99 10.98 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.546 2.164 . . . . 0.0 112.148 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 973' ' ' MET . 9.3 m-20 -63.56 111.12 4.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -177.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . 0.524 ' HD3' ' HH ' ' A' ' 988' ' ' TYR . 16.9 Cg_exo -67.37 -168.81 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.63 2.22 . . . . 0.0 112.167 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.92 127.35 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.054 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 991' ' ' THR . 79.1 m-20 50.14 49.02 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.17 163.99 28.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.597 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 973' ' ' MET . . . . . 0.46 ' HA ' ' OD1' ' A' ' 968' ' ' ASP . 0.0 OUTLIER -163.99 140.74 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.994 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . 0.435 HG22 HD13 ' A' ' 986' ' ' ILE . 9.8 p -95.82 147.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -79.14 -47.28 16.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.249 -173.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 73.3 t 54.51 97.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.037 0.446 . . . . 0.0 111.003 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.478 HG22 ' HG1' ' A' ' 978' ' ' THR . 58.4 mt -58.16 -68.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.382 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 978' ' ' THR . . . . . 0.478 ' HG1' HG22 ' A' ' 977' ' ' ILE . 62.8 m -156.54 -67.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.304 -177.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . 0.436 ' HB3' ' HG2' ' A' ' 981' ' ' GLN . 9.7 m-20 -101.6 131.78 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.997 -175.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.425 ' O ' HG21 ' A' ' 980' ' ' ILE . 18.3 mt -87.5 2.0 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.68 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . 0.436 ' HG2' ' HB3' ' A' ' 979' ' ' ASP . 11.6 pt20 -57.73 147.47 27.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.939 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . 0.426 ' HA ' ' HB3' ' A' 1004 ' ' CYS . 7.7 p -59.42 134.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 115.93 -10.48 18.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.422 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 46.8 t -91.71 166.84 12.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -140.24 91.05 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 974' ' ' VAL . 34.1 pt -78.61 169.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 67.5 p -117.95 154.07 32.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.524 ' HH ' ' HD3' ' A' ' 969' ' ' PRO . 1.0 OUTLIER -129.48 138.16 51.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.769 -174.632 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 989' ' ' SER . . . . . 0.65 ' HA ' HD11 ' A' ' 996' ' ' LEU . 89.9 p -159.87 152.6 21.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.174 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . 0.466 ' SG ' ' HG ' ' A' ' 996' ' ' LEU . 71.1 m -94.4 -169.46 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.738 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 971' ' ' ASN . 20.4 p -62.69 176.24 0.7 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.386 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 75.7 m -63.92 116.6 5.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . 90.93 23.26 30.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 990' ' ' CYS . 56.0 m80 -137.02 116.85 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.829 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . 0.693 ' HB2' HD11 ' A' 1023 ' ' ILE . 96.4 mtt180 -112.5 135.3 53.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.035 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.65 HD11 ' HA ' ' A' ' 989' ' ' SER . 2.3 mp -70.42 149.27 47.43 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.932 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 20.8 mm -96.66 55.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.521 172.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -154.03 -119.76 0.74 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.704 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -107.24 -32.5 7.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.619 0.247 . . . . 0.0 111.261 -173.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1000 ' ' SER . . . . . 0.45 ' HA ' ' HB3' ' A' ' 988' ' ' TYR . 90.6 p 49.1 29.42 2.49 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.031 -175.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 70.3 m -164.29 118.97 1.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.694 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -109.99 148.05 32.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.382 -174.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -141.29 120.83 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.713 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1004 ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 44.2 t -62.14 113.99 3.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.1 pt -136.77 153.87 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.354 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.44 HD23 ' HB1' ' A' 1011 ' ' ALA . 60.6 mt -95.5 135.73 36.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.6 p -115.36 -41.29 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -150.59 -71.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.561 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -140.0 2.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 72.4 m -144.8 104.83 4.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.44 ' HB1' HD23 ' A' 1006 ' ' LEU . . . -60.45 137.76 58.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.9 p80 -147.07 173.74 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.798 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.694 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 64.8 m95 -86.91 145.62 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.8 m -66.35 -5.21 9.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 62.4 p -86.41 103.73 15.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.431 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.429 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.0 OUTLIER -61.88 160.48 28.31 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 171.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1017 ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 5.6 Cg_endo -47.85 102.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.859 2.373 . . . . 0.0 112.218 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.586 ' HB2' HD23 ' A' ' 996' ' ' LEU . 97.2 Cg_endo -85.12 169.43 10.07 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.759 2.306 . . . . 0.0 112.703 -172.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' 1020 ' ' CYS . 10.5 mt -129.59 163.29 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.58 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.462 ' N ' HG22 ' A' 1019 ' ' ILE . 72.4 m -115.66 119.28 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.836 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.22 112.02 17.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 993' ' ' GLY . 38.9 ttm180 -55.7 134.27 51.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 177.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1023 ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 995' ' ' ARG . 21.9 mm -87.71 -50.7 0.42 Allowed Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.601 -174.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1024 ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' 1023 ' ' ILE . 55.7 Cg_endo . . . . . 0 C--O 1.25 1.123 0 C-N-CA 122.135 1.89 . . . . 0.0 112.277 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.901 0.381 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 35.2 m -87.39 155.69 19.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.869 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -166.07 110.07 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 965' ' ' THR . . . . . 0.671 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 96.0 m -160.41 -55.98 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.988 -172.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.671 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 33.3 Cg_exo -61.04 122.53 11.33 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.548 2.166 . . . . 0.0 112.522 -169.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.75 176.73 1.19 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.613 2.209 . . . . 0.0 112.008 173.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . 0.7 ' HA ' HG13 ' A' ' 974' ' ' VAL . 4.4 p-10 -106.99 100.49 32.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.131 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . 0.737 ' HD2' ' HB ' ' A' ' 974' ' ' VAL . 66.1 Cg_exo -51.24 145.06 27.99 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.31 141.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.245 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 57.18 58.37 3.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 990' ' ' CYS . . . 163.99 153.55 7.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.762 177.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.1 ptp -83.93 159.02 21.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.73 0.3 . . . . 0.0 110.792 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . 0.737 ' HB ' ' HD2' ' A' ' 969' ' ' PRO . 7.4 p -139.64 146.91 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.464 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . 0.723 ' HD2' HG21 ' A' ' 976' ' ' VAL . 5.5 p-80 40.82 -163.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.311 177.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . 0.723 HG21 ' HD2' ' A' ' 975' ' ' HIS . 71.0 t 44.49 85.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.227 -169.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 44.4 mm -95.85 -41.92 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.713 171.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 978' ' ' THR . . . . . 0.489 HG22 ' OD2' ' A' ' 979' ' ' ASP . 50.4 m -155.66 -43.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.677 175.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . 0.489 ' OD2' HG22 ' A' ' 978' ' ' THR . 10.7 m-20 -153.3 122.62 6.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.444 HG21 HG22 ' A' ' 986' ' ' ILE . 15.9 pt -105.32 41.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' A' ' 979' ' ' ASP . 23.8 mp0 -89.94 -174.91 4.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.668 174.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.72 139.78 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.055 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 85.65 5.49 84.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.587 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 49.3 m -92.96 170.08 9.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.726 0.298 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -147.13 96.83 2.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 987' ' ' THR . 2.7 pp -89.99 -168.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.069 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 987' ' ' THR . . . . . 0.458 ' N ' HD11 ' A' ' 986' ' ' ILE . 33.6 p -151.04 151.88 32.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.267 -173.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.495 ' HH ' ' HB3' ' A' ' 966' ' ' PRO . 77.1 m-85 -102.06 116.53 32.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.662 175.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 56.8 m -90.3 -70.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 -174.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . 0.526 ' HA ' ' HA3' ' A' ' 972' ' ' GLY . 18.7 t 62.77 156.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 2.0 t -62.8 141.41 58.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.244 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 59.5 m -55.17 130.6 42.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.241 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 113.65 -37.14 3.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.332 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.535 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 0.4 OUTLIER -77.57 104.31 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.851 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -76.12 125.61 29.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' 1019 ' ' ILE . 73.0 mt -72.71 134.5 45.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.895 HD11 ' HB2' ' A' 1021 ' ' GLN . 4.0 mp -98.78 71.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 172.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . 0.492 ' HA3' ' HB3' ' A' 1018 ' ' PRO . . . -170.05 -108.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.495 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . 0.459 ' HD2' ' HB3' ' A' 1001 ' ' SER . 59.2 t60 -141.38 -13.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.776 -177.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 37.5 t 62.68 19.15 11.16 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.971 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1001 ' ' SER . . . . . 0.459 ' HB3' ' HD2' ' A' ' 999' ' ' HIS . 46.8 t -171.83 164.83 6.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.79 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' 1013 ' ' TRP . . . -158.92 163.04 36.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.298 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -135.22 119.19 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.602 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1004 ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' 1011 ' ' ALA . 47.2 t -73.82 101.04 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.99 -174.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.6 pt -116.71 148.29 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.136 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.5 HD11 ' N ' ' A' 1006 ' ' LEU . 5.4 mp -70.86 100.28 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 79.0 p -73.43 -19.79 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 178.2 -98.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.49 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 13.7 m120 -101.11 6.97 43.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 39.2 m -152.69 144.73 23.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.481 ' HB3' ' SG ' ' A' 1004 ' ' CYS . . . -78.51 113.84 16.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 -178.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -128.89 141.82 51.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.512 ' HB3' ' HB3' ' A' 1002 ' ' ALA . 67.1 m95 -67.07 151.82 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.984 -177.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.7 m -68.34 -62.28 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 63.3 p -64.47 178.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.38 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.747 ' HD2' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -109.04 144.33 29.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.689 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.77 109.39 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.612 2.208 . . . . 0.0 112.469 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.492 ' HB3' ' HA3' ' A' ' 998' ' ' GLY . 63.8 Cg_endo -73.27 178.74 6.21 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.608 2.205 . . . . 0.0 112.244 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.822 HG21 HD12 ' A' ' 997' ' ' ILE . 5.3 tp -144.44 160.19 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 111.368 -177.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.621 ' N ' HG13 ' A' 1019 ' ' ILE . 83.2 m -94.92 103.98 15.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.748 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1021 ' ' GLN . . . . . 0.895 ' HB2' HD11 ' A' ' 997' ' ' ILE . 9.7 tt0 -64.96 -41.39 95.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 -176.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 62.07 113.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.042 -175.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1023 ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' 1023 ' ' ILE . 1.3 pp -94.27 152.45 40.24 Favored Pre-proline 0 N--CA 1.454 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.237 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 122.566 2.177 . . . . 0.0 112.295 179.487 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.814 0.34 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 963' ' ' CYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 980' ' ' ILE . 60.8 m -94.18 134.65 36.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -59.35 110.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 30.1 p -68.68 145.38 96.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.112 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 966' ' ' PRO . . . . . 0.434 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 74.5 Cg_endo -77.09 138.87 18.6 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.647 2.231 . . . . 0.0 112.567 -175.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.89 156.08 52.84 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.59 2.193 . . . . 0.0 112.167 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -58.03 111.54 3.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.045 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.91 153.08 59.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.613 2.209 . . . . 0.0 112.322 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.05 129.31 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 971' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 991' ' ' THR . 82.8 m-20 53.83 28.09 7.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -177.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -144.07 -172.67 14.93 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.0 ptp -166.62 130.9 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.954 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 974' ' ' VAL . . . . . 0.46 HG21 HD13 ' A' ' 986' ' ' ILE . 8.6 p -85.08 143.69 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.925 177.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -88.1 -41.49 13.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.238 -172.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 87.5 t 49.89 88.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.973 0.416 . . . . 0.0 110.948 -175.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 977' ' ' ILE . . . . . 0.716 HG21 HG21 ' A' ' 978' ' ' THR . 3.2 mp -67.61 -71.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.221 -173.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 978' ' ' THR . . . . . 0.716 HG21 HG21 ' A' ' 977' ' ' ILE . 71.9 p -107.21 -58.25 1.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.315 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -144.06 -168.43 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.6 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 980' ' ' ILE . . . . . 0.484 ' O ' ' HB2' ' A' ' 963' ' ' CYS . 1.5 pp -144.33 31.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -177.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -115.88 -166.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.681 176.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.91 130.97 25.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.24 -8.76 77.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 60.3 p -105.45 124.57 49.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.339 . . . . 0.0 110.987 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -106.18 124.84 50.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 986' ' ' ILE . . . . . 0.49 ' HA ' HD12 ' A' ' 977' ' ' ILE . 35.4 pt -110.67 173.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 175.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 68.2 p -131.11 143.02 50.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.35 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 988' ' ' TYR . . . . . 0.434 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 64.2 m-85 -109.81 150.13 28.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.735 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 55.3 m -151.42 130.35 12.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 990' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' 1020 ' ' CYS . 44.3 t -110.79 172.12 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 178.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 991' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 971' ' ' ASN . 10.7 p -58.49 150.14 23.45 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.267 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 6.3 t -64.57 139.11 58.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.305 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 91.29 17.92 48.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.33 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 994' ' ' HIS . . . . . 0.412 ' CD2' ' HA ' ' A' 1022 ' ' ARG . 14.2 m80 -130.4 140.24 50.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 110.764 -177.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -91.71 110.0 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 996' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 997' ' ' ILE . 2.1 tm? -66.38 130.28 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 997' ' ' ILE . . . . . 0.553 HG22 ' HB2' ' A' 1018 ' ' PRO . 77.6 mt -98.75 126.11 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.761 174.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . 0.71 ' HA2' ' HD3' ' A' 1016 ' ' LYS . . . 132.05 -103.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.34 -172.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -165.58 17.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 110.995 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 36.5 t 56.21 15.47 1.9 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.176 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 45.6 t -171.76 160.12 5.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1002 ' ' ALA . . . . . 0.775 ' HB2' HG21 ' A' 1015 ' ' THR . . . -148.92 146.26 27.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 111.565 -176.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -136.07 119.98 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.295 170.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 36.0 t -53.64 98.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1005 ' ' ILE . . . . . 0.563 HD11 ' HG ' ' A' 1006 ' ' LEU . 1.7 pp -89.18 -170.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.718 -174.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1006 ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' 1005 ' ' ILE . 28.7 mt 61.79 -82.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.021 -172.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 38.6 m 56.68 26.32 11.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 111.04 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -122.46 -97.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.193 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 7.6 p30 -78.41 -7.32 57.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.403 . . . . 0.0 110.55 173.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1010 ' ' THR . . . . . 0.755 HG23 ' H ' ' A' 1011 ' ' ALA . 0.6 OUTLIER -152.93 -172.99 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.492 177.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1011 ' ' ALA . . . . . 0.755 ' H ' HG23 ' A' 1010 ' ' THR . . . -176.44 117.77 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.088 -174.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 9.4 p80 -163.58 174.63 11.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1013 ' ' TRP . . . . . 0.496 ' HB3' ' HB3' ' A' 1002 ' ' ALA . 87.2 m95 -90.58 152.17 21.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 82.6 p -81.25 -3.76 53.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.312 -172.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1015 ' ' THR . . . . . 0.775 HG21 ' HB2' ' A' 1002 ' ' ALA . 21.0 p -79.66 151.74 30.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.238 178.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1016 ' ' LYS . . . . . 0.74 ' HB3' ' HD2' ' A' 1018 ' ' PRO . 13.0 mptt -92.38 141.15 24.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1017 ' ' PRO . . . . . 0.438 ' HB2' ' HD3' ' A' 1018 ' ' PRO . 75.8 Cg_exo -47.07 -45.84 20.41 Favored 'Trans proline' 0 CA--C 1.535 0.536 0 C-N-CA 122.672 2.248 . . . . 0.0 113.196 175.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1018 ' ' PRO . . . . . 0.74 ' HD2' ' HB3' ' A' 1016 ' ' LYS . 95.6 Cg_exo -43.13 -47.7 8.42 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.356 2.037 . . . . 0.0 112.845 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1019 ' ' ILE . . . . . 0.795 HG13 ' H ' ' A' 1020 ' ' CYS . 6.3 tp 46.28 -161.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.25 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1020 ' ' CYS . . . . . 0.795 ' H ' HG13 ' A' 1019 ' ' ILE . 52.9 t -35.36 125.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.269 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -92.66 -35.53 13.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -170.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1022 ' ' ARG . . . . . 0.463 ' HD3' ' ND2' ' A' ' 971' ' ' ASN . 55.7 ttp180 63.0 113.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 7.3 pt -101.1 144.71 29.1 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo . . . . . 0 C--O 1.25 1.102 0 C-N-CA 122.559 2.173 . . . . 0.0 112.321 179.01 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . 0.471 ' C ' ' H ' ' A' ' 960' ' ' ALA . . . -132.94 143.88 49.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 69.24 -8.47 0.7 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.22 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 958' ' ' ALA . . . 59.81 -177.87 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.318 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 980' ' ' ILE . 39.7 ttpt 62.11 115.64 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.137 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 40.3 t -159.1 -8.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 89.0 m -95.87 126.8 41.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.056 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -74.44 130.85 40.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 70.8 p -60.79 134.49 92.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.161 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.451 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 60.5 Cg_endo -72.52 148.9 48.81 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.76 146.49 78.71 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.59 2.194 . . . . 0.0 112.2 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.08 115.25 11.33 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.37 155.83 23.76 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.36 131.51 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.489 ' O ' HG23 ' A' ' 991' ' ' THR . 78.0 m-20 53.5 30.5 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.971 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -151.56 -170.88 18.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 25.1 ptm -161.52 141.91 10.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.68 144.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -122.29 131.02 53.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.43 130.95 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.712 HG12 ' HA ' ' A' ' 986' ' ' ILE . 51.0 mm -76.12 -47.93 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.195 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 978' ' ' THR . . . . . 0.518 HG23 HG22 ' A' ' 977' ' ' ILE . 47.9 p -142.53 -63.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.263 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -148.62 171.22 16.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.756 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.442 ' O ' ' HA ' ' A' ' 961' ' ' LYS . 8.3 mt -96.99 32.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.751 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . 0.466 ' HB3' ' HB1' ' A' ' 960' ' ' ALA . 76.7 mt-30 -85.5 144.44 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.878 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.0 p -58.04 133.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 105.51 -7.11 42.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.465 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 52.2 m -86.67 178.18 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -148.83 91.08 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.972 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.712 ' HA ' HG12 ' A' ' 977' ' ' ILE . 39.8 pt -76.96 179.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 987' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 988' ' ' TYR . 4.1 m -136.88 164.06 29.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.025 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.535 ' HE1' ' HB1' ' A' 1002 ' ' ALA . 87.3 m-85 -123.13 157.1 33.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.785 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 30.6 t -141.47 173.66 11.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.016 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 35.8 t -159.07 171.77 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.56 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 971' ' ' ASN . 14.0 p -56.56 146.78 23.98 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.191 178.457 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 63.7 m -60.99 118.0 6.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 116.7 -9.69 16.46 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.572 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 3.4 m80 -107.22 120.06 41.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.681 0.277 . . . . 0.0 110.828 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.672 ' HB3' HE21 ' A' 1021 ' ' GLN . 30.0 tpt180 -82.51 139.98 33.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.786 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.401 HD22 ' HB3' ' A' 1018 ' ' PRO . 1.2 tm? -71.35 113.64 8.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 29.5 mm -82.72 70.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.772 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -178.57 -120.73 0.67 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.557 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -122.44 -11.1 8.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 111.049 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 49.2 m 60.0 25.95 15.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.681 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 94.2 p -163.39 172.18 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.785 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.535 ' HB1' ' HE1' ' A' ' 988' ' ' TYR . . . -152.07 160.94 43.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -145.25 113.34 6.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 52.8 t -63.32 99.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 40.1 pt -124.17 139.84 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' 1006 ' ' LEU . 4.3 mp -85.95 125.16 33.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.803 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 81.2 p -93.92 18.08 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 131.54 -89.43 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.445 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -111.71 8.57 20.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.808 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 61.9 m -148.11 119.73 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.049 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.512 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -91.25 132.53 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.197 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.2 p80 -147.23 173.25 12.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.451 ' NE1' ' HD3' ' A' ' 966' ' ' PRO . 67.6 m95 -85.15 133.86 34.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.773 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.8 t -65.89 -17.06 64.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.333 -172.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 9.2 t -91.58 138.12 31.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 111.352 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.586 ' HD3' ' H ' ' A' 1016 ' ' LYS . 0.3 OUTLIER -75.51 157.61 84.24 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.612 174.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1017 ' ' PRO . . . . . 0.474 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.0 Cg_endo -50.61 107.4 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.746 2.297 . . . . 0.0 112.293 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.423 ' O ' HD11 ' A' 1019 ' ' ILE . 35.2 Cg_exo -58.3 150.33 67.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.696 2.264 . . . . 0.0 112.517 -175.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' 1020 ' ' CYS . 11.5 mm -123.69 165.11 20.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.703 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.572 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 69.7 m -124.03 116.4 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.657 177.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1021 ' ' GLN . . . . . 0.672 HE21 ' HB3' ' A' ' 995' ' ' ARG . 29.8 pt20 -83.78 -17.08 42.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.299 -170.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 63.16 114.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.975 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 59.9 mt -115.22 126.66 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.037 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.574 2.183 . . . . 0.0 112.347 179.528 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -92.99 21.49 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -98.03 138.84 34.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -146.47 96.63 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.089 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.43 ' HE3' HG11 ' A' ' 982' ' ' VAL . 21.3 ptmt -100.87 -163.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.1 t 61.25 82.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.898 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 92.0 m -61.32 164.95 4.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.956 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 964' ' ' LYS . 13.6 mptt -72.64 -168.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.419 172.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 965' ' ' THR . . . . . 0.5 HG23 HD11 ' A' ' 980' ' ' ILE . 43.0 p -114.54 133.82 22.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.106 178.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.8 147.78 94.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.741 2.294 . . . . 0.0 112.215 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.23 137.31 47.23 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.646 2.23 . . . . 0.0 112.143 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.96 113.77 7.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.43 144.3 84.08 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.632 2.221 . . . . 0.0 112.241 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.415 HG23 ' OD1' ' A' ' 971' ' ' ASN . 8.0 p -63.21 136.15 26.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 178.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.415 ' OD1' HG23 ' A' ' 970' ' ' VAL . 2.6 m-20 53.55 22.44 2.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.6 -162.78 10.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.549 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -165.78 148.46 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.848 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.4 142.57 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -107.4 112.32 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.139 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 27.0 t -83.83 94.28 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.565 172.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.48 HD12 HG21 ' A' ' 987' ' ' THR . 61.8 mt -60.25 -70.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.534 -173.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 978' ' ' THR . . . . . 0.68 HG21 ' H ' ' A' ' 979' ' ' ASP . 0.1 OUTLIER -112.65 -91.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.441 -176.509 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . 0.68 ' H ' HG21 ' A' ' 978' ' ' THR . 11.1 m-20 -122.36 -179.39 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.833 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 965' ' ' THR . 28.0 mt -120.29 65.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -120.51 178.86 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.809 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . 0.43 HG11 ' HE3' ' A' ' 961' ' ' LYS . 7.5 p -66.27 136.35 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.042 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 95.76 -27.74 15.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.608 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 41.2 t -67.93 157.33 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.455 ' O ' HD11 ' A' ' 977' ' ' ILE . 61.2 ttp180 -139.24 111.11 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.003 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 43.8 pt -92.1 172.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 987' ' ' THR . . . . . 0.48 HG21 HD12 ' A' ' 977' ' ' ILE . 66.6 p -128.58 142.9 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.25 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -99.75 170.01 8.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 94.8 p -161.54 164.57 29.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 15.8 t -149.99 172.03 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 1.8 t -54.78 140.52 35.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 3.7 t -55.84 125.63 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.33 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 120.4 -62.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.419 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.532 ' HA ' HG12 ' A' 1023 ' ' ILE . 0.5 OUTLIER -56.85 136.8 55.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 110.973 -177.632 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.689 ' HG2' HD13 ' A' 1023 ' ' ILE . 28.8 mmm180 -84.1 138.1 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.958 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' 1018 ' ' PRO . 1.9 tm? -78.09 121.47 24.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.61 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.583 HD13 ' HB2' ' A' 1021 ' ' GLN . 34.6 mm -88.74 81.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 164.92 -114.09 0.58 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.431 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -150.17 9.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.805 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 94.7 p 48.7 29.18 2.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.294 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 47.9 t -164.78 161.6 20.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.741 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -156.68 159.09 38.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -135.25 129.63 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 53.0 t -69.27 104.1 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 39.5 pt -134.21 151.86 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.249 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 56.6 mt -88.44 99.83 12.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 56.0 m -104.17 14.17 30.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -178.51 -132.14 1.68 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -91.79 -7.51 49.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.377 . . . . 0.0 110.87 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 46.3 m -140.86 140.83 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.055 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.74 115.42 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -129.29 172.84 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.741 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 69.4 m95 -82.72 143.65 30.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.802 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.8 t -55.58 -68.98 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 67.7 p -63.69 139.65 58.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.44 -175.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.52 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -63.67 156.34 72.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.728 176.19 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -48.21 108.24 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.523 ' HB3' HD13 ' A' ' 996' ' ' LEU . 33.8 Cg_exo -58.45 151.1 63.81 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.673 2.248 . . . . 0.0 112.434 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' 1020 ' ' CYS . 12.9 mm -121.58 164.24 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.645 177.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.474 ' N ' HG22 ' A' 1019 ' ' ILE . 84.7 m -109.2 92.65 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.037 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1021 ' ' GLN . . . . . 0.583 ' HB2' HD13 ' A' ' 997' ' ' ILE . 57.9 tp60 -66.58 99.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -56.89 139.92 50.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1023 ' ' ILE . . . . . 0.689 HD13 ' HG2' ' A' ' 995' ' ' ARG . 29.9 mm -108.08 -51.6 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.618 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1024 ' ' PRO . . . . . 0.664 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 38.2 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 122.244 1.963 . . . . 0.0 112.266 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.755 0.312 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 56.86 86.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -83.13 110.95 18.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -84.7 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -134.75 142.57 46.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.762 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 78.3 p -153.4 -35.64 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.405 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 980' ' ' ILE . 72.8 m -91.69 130.33 37.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.057 0.456 . . . . 0.0 111.265 -173.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -158.02 71.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.184 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 965' ' ' THR . . . . . 0.667 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 99.3 m -122.04 -56.77 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.263 -166.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.667 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 77.5 Cg_exo -51.98 106.96 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.722 2.282 . . . . 0.0 112.925 -167.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -84.83 -162.6 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.782 2.321 . . . . 0.0 112.133 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.06 113.74 38.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.719 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.1 152.78 76.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.514 2.143 . . . . 0.0 112.327 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.4 129.63 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 46.15 66.52 0.93 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 162.28 -160.57 32.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.563 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.7 ptp -153.67 141.14 19.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.4 p -82.74 140.84 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -117.67 103.8 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' ' 976' ' ' VAL . 4.3 p -80.95 110.87 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 173.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.745 HD13 HG22 ' A' ' 987' ' ' THR . 66.1 mt -59.27 -39.37 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.512 -172.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 978' ' ' THR . . . . . 0.506 HG22 ' OD2' ' A' ' 979' ' ' ASP . 26.1 m -157.0 -50.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.167 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . 0.506 ' OD2' HG22 ' A' ' 978' ' ' THR . 12.5 m-20 -146.3 -167.63 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.541 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.441 ' O ' ' HB2' ' A' ' 963' ' ' CYS . 3.1 pt -147.36 34.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.9 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -95.1 -178.24 4.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.909 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.44 137.58 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 83.26 -13.13 47.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.522 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 55.5 m -90.4 150.06 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 0.0 110.943 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.622 ' HD3' ' HB2' ' A' 1001 ' ' SER . 38.7 ttm180 -130.22 132.9 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 21.7 pt -104.17 -177.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 987' ' ' THR . . . . . 0.745 HG22 HD13 ' A' ' 977' ' ' ILE . 57.0 p -138.36 137.68 37.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.429 ' CD1' ' HG3' ' A' 1018 ' ' PRO . 82.2 m-85 -103.9 150.57 24.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.881 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 58.2 m -155.26 137.18 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.985 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 97.3 m -73.87 -177.89 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 6.8 t -76.41 -12.14 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 91.4 m -136.03 -40.7 0.67 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.051 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 136.88 28.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.385 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.607 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 88.3 m-70 -64.89 163.89 13.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.528 ' HB3' ' HB3' ' A' 1021 ' ' GLN . 78.6 ttt180 -62.33 134.16 56.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -86.82 117.17 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.452 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.603 HD12 ' HB2' ' A' 1021 ' ' GLN . 34.2 mm -79.55 76.58 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.078 0.466 . . . . 0.0 110.733 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 151.17 -111.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.463 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -148.07 129.45 14.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 49.9 m -83.96 30.39 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.323 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1001 ' ' SER . . . . . 0.622 ' HB2' ' HD3' ' A' ' 985' ' ' ARG . 78.0 p -167.02 125.3 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.811 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -113.16 158.97 19.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.223 -176.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -127.1 124.93 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.5 t -67.83 102.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.784 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.34 168.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.451 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 47.0 mt -124.08 133.98 53.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.912 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 79.3 p -150.11 -49.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -94.29 -129.83 5.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -99.15 -10.66 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 8.7 t -143.36 137.17 28.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.186 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -64.89 125.17 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 17.7 p80 -131.94 144.61 50.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.811 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 68.6 m95 -67.84 145.42 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -176.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 81.0 p -83.51 30.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.248 -175.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 81.7 p -135.58 127.64 29.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.227 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.708 ' HB2' ' HZ2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -63.05 161.22 32.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 175.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1017 ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 8.0 Cg_endo -49.89 115.56 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.622 2.215 . . . . 0.0 112.144 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.429 ' HG3' ' CD1' ' A' ' 988' ' ' TYR . 32.7 Cg_endo -64.4 144.23 84.97 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.626 2.217 . . . . 0.0 112.388 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' 1020 ' ' CYS . 10.4 mt -131.44 164.02 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 994' ' ' HIS . 61.3 m -116.35 113.27 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1021 ' ' GLN . . . . . 0.603 ' HB2' HD12 ' A' ' 997' ' ' ILE . 28.9 tt0 -72.59 -14.06 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -175.261 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.607 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 40.3 ttm180 64.06 113.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.017 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1023 ' ' ILE . . . . . 0.568 ' H ' ' HD1' ' A' ' 994' ' ' HIS . 66.6 mt -103.63 128.19 27.9 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.993 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.447 2.098 . . . . 0.0 112.25 179.472 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -121.27 136.96 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -95.46 148.43 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . 60.59 -178.58 0.1 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.285 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.529 ' HD3' ' N ' ' A' ' 961' ' ' LYS . 0.3 OUTLIER -154.39 146.36 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.84 -178.845 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 962' ' ' SER . . . . . 0.506 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 47.9 t -168.35 117.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.012 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . 0.486 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 92.1 m -68.48 157.27 36.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -81.66 119.15 23.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 76.2 p -54.32 134.31 61.22 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.277 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.76 125.72 10.76 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.566 2.177 . . . . 0.0 112.374 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.82 146.84 43.83 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.559 2.172 . . . . 0.0 112.193 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.06 120.4 42.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.987 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . 0.402 ' HG3' ' CE2' ' A' ' 988' ' ' TYR . 62.6 Cg_endo -72.96 175.49 10.35 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.612 2.208 . . . . 0.0 112.341 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.6 128.07 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.43 ' O ' HG21 ' A' ' 991' ' ' THR . 80.4 m-20 55.87 22.01 5.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.04 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -139.12 178.44 19.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.599 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.6 ptp -152.15 172.72 15.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.79 146.01 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.036 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -128.27 145.98 50.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 38.5 t -97.49 112.56 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.921 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.646 HD12 ' HG1' ' A' ' 987' ' ' THR . 48.9 mm -73.24 -45.69 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.317 -174.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 978' ' ' THR . . . . . 0.554 HG23 ' OD2' ' A' ' 979' ' ' ASP . 28.1 m -135.3 -70.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.128 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . 0.554 ' OD2' HG23 ' A' ' 978' ' ' THR . 11.7 m-20 -141.06 -176.6 4.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.615 HG23 ' HZ2' ' A' 1013 ' ' TRP . 29.4 mt -110.41 -10.03 11.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . 0.506 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 28.4 pt20 -68.92 174.73 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.72 141.66 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.066 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 95.29 -12.98 67.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.291 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 984' ' ' SER . . . . . 0.532 ' HG ' ' HB2' ' A' ' 979' ' ' ASP . 56.4 m -93.18 136.34 33.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.717 0.294 . . . . 0.0 110.842 178.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -117.49 114.15 23.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.02 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.477 ' HA ' HG12 ' A' ' 977' ' ' ILE . 39.8 pt -95.55 174.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 175.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 987' ' ' THR . . . . . 0.646 ' HG1' HD12 ' A' ' 977' ' ' ILE . 4.8 m -113.7 162.75 15.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.917 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.446 ' H ' HG22 ' A' ' 987' ' ' THR . 1.0 OUTLIER -149.75 124.53 9.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.669 -175.25 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 32.2 t -149.84 174.87 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.173 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 7.0 t -119.95 -170.11 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.34 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.43 HG21 ' O ' ' A' ' 971' ' ' ASN . 0.6 OUTLIER -59.12 -179.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 111.564 179.152 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 69.5 m -55.58 -68.03 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.362 -174.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . -84.35 42.92 3.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.599 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.508 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 71.7 m80 -143.16 116.43 9.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -86.55 139.08 31.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.78 108.05 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.428 178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.515 ' HB ' ' HB ' ' A' 1019 ' ' ILE . 34.4 mm -75.77 74.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.034 0.445 . . . . 0.0 110.747 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 178.61 -125.06 0.96 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.624 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -104.82 -13.85 15.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.701 0.286 . . . . 0.0 111.094 -175.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 55.1 m 59.38 18.49 6.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.012 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1001 ' ' SER . . . . . 0.41 ' HG ' ' N ' ' A' 1002 ' ' ALA . 39.5 t -173.56 158.67 3.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.595 -178.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' 1013 ' ' TRP . . . -131.39 163.62 27.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.174 -177.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -149.01 118.17 6.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.2 t -62.24 100.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 43.0 pt -123.23 152.24 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.449 -174.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 60.5 mt -105.18 124.49 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.859 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.1 p -139.23 37.81 2.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 169.51 -85.51 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.502 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -157.61 -8.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 66.4 m -126.61 111.01 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.486 ' HB1' ' SG ' ' A' ' 963' ' ' CYS . . . -59.57 129.47 42.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.324 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 20.0 p80 -150.35 168.68 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.615 ' HZ2' HG23 ' A' ' 980' ' ' ILE . 75.4 m95 -85.54 148.78 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.809 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 79.9 p -79.43 5.65 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 -174.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 44.2 p -86.42 137.94 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 111.408 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.706 ' HD3' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -97.79 166.01 14.37 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.369 173.538 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1017 ' ' PRO . . . . . 0.554 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 78.1 Cg_exo -39.78 102.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.711 2.274 . . . . 0.0 112.422 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.423 ' HG3' ' CE2' ' A' ' 988' ' ' TYR . 62.7 Cg_endo -74.03 154.53 47.55 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.641 2.228 . . . . 0.0 112.626 -171.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.515 ' HB ' ' HB ' ' A' ' 997' ' ' ILE . 9.7 mt -124.36 164.98 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.728 176.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.508 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 75.4 m -128.79 126.22 39.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.806 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -126.5 130.39 50.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 -177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.428 ' HG2' ' HD2' ' A' 1024 ' ' PRO . 79.7 ttt180 -58.67 118.73 5.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.778 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1023 ' ' ILE . . . . . 0.641 ' HB ' ' HD3' ' A' 1024 ' ' PRO . 58.4 mt -66.64 -49.93 48.22 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.644 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1024 ' ' PRO . . . . . 0.641 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 49.9 Cg_exo . . . . . 0 C--O 1.249 1.028 0 C-N-CA 122.227 1.951 . . . . 0.0 112.346 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -154.53 16.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -136.63 -36.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -81.82 -174.54 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt 64.83 160.31 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.007 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 962' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 980' ' ' ILE . 47.4 t 60.82 90.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.179 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 55.3 m -67.74 142.97 56.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -59.83 112.75 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.781 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 72.1 p -57.34 134.86 81.45 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.628 ' HG3' ' HH ' ' A' ' 988' ' ' TYR . 55.3 Cg_endo -69.74 150.63 68.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.557 2.171 . . . . 0.0 112.226 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . 0.415 ' HD2' ' HG3' ' A' 1017 ' ' PRO . 26.6 Cg_endo -61.87 146.15 96.63 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.61 2.206 . . . . 0.0 112.138 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -56.19 120.38 34.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.031 -177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.91 142.42 62.44 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.547 2.165 . . . . 0.0 112.359 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.622 HG22 HD21 ' A' ' 971' ' ' ASN . 14.8 p -62.12 131.51 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.781 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.622 HD21 HG22 ' A' ' 970' ' ' VAL . 46.7 m-80 50.23 74.43 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -173.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . 0.46 ' HA3' ' HA ' ' A' ' 990' ' ' CYS . . . 152.24 -173.02 31.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.591 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -161.42 137.67 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.54 135.77 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . 0.437 ' O ' ' HB ' ' A' ' 986' ' ' ILE . 10.0 t-80 -106.89 135.0 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 -175.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.12 89.68 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 985' ' ' ARG . 58.4 mt -60.65 -66.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.329 -176.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 63.2 m -96.9 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.08 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . 0.429 ' HB3' ' HG2' ' A' ' 981' ' ' GLN . 17.0 t70 -165.46 170.32 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.5 HG22 ' HZ2' ' A' 1013 ' ' TRP . 9.1 mt -96.07 26.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.09 0.471 . . . . 0.0 110.71 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . 0.429 ' HG2' ' HB3' ' A' ' 979' ' ' ASP . 3.6 pt20 -103.03 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.811 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . 0.505 HG21 HD12 ' A' 1006 ' ' LEU . 42.9 t -75.64 141.3 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.078 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 98.29 -6.67 61.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.384 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 96.5 p -94.26 170.73 9.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.419 ' O ' HD13 ' A' ' 977' ' ' ILE . 79.9 ttt180 -149.8 96.23 2.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.437 ' HB ' ' O ' ' A' ' 975' ' ' HIS . 39.2 pt -84.7 171.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 69.3 p -134.7 136.31 42.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.236 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.628 ' HH ' ' HG3' ' A' ' 966' ' ' PRO . 89.9 m-85 -90.25 138.87 31.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 55.3 m -141.74 127.67 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . 0.46 ' HA ' ' HA3' ' A' ' 972' ' ' GLY . 84.2 m -76.44 -176.72 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.453 HG23 ' HB3' ' A' ' 971' ' ' ASN . 6.7 t -63.13 -32.63 74.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.0 111.209 -176.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 87.8 m -134.44 -50.83 0.8 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.076 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 162.83 32.99 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.416 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.58 ' HB2' ' HB3' ' A' 1020 ' ' CYS . 23.6 m-70 -58.94 144.68 44.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.827 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -64.11 108.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.684 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' 1019 ' ' ILE . 15.1 tp -64.21 155.39 31.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 72.9 mt -109.01 122.19 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.692 170.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 104.82 -111.34 3.75 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.433 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -141.46 129.19 21.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.72 0.295 . . . . 0.0 111.133 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 35.7 t -76.56 44.29 0.35 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 47.5 t -166.91 162.3 15.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.645 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' 1013 ' ' TRP . . . -157.0 156.81 33.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.25 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -135.6 132.58 37.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.745 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1004 ' ' CYS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 52.5 t -77.99 94.43 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.013 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 31.6 pt -123.65 136.9 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.598 ' HA ' ' HA ' ' A' 1011 ' ' ALA . 4.9 mp -77.99 -15.71 58.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.935 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 98.0 p 50.68 22.43 1.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.454 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 138.58 -69.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -156.43 13.53 0.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.773 0.32 . . . . 0.0 110.912 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 2.5 t -130.78 105.98 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.236 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.598 ' HA ' ' HA ' ' A' 1006 ' ' LEU . . . -69.25 113.77 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.8 p80 -149.47 178.86 8.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.675 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.5 ' HZ2' HG22 ' A' ' 980' ' ' ILE . 83.9 m95 -95.2 141.86 28.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.892 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 46.3 t -68.35 -4.1 13.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.333 -172.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 82.6 p -127.22 123.39 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.273 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.58 ' HD2' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -59.19 153.97 43.59 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.877 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1017 ' ' PRO . . . . . 0.415 ' HG3' ' HD2' ' A' ' 967' ' ' PRO . 73.4 Cg_exo -49.65 108.05 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.724 2.283 . . . . 0.0 112.398 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.485 ' HB2' HD11 ' A' ' 996' ' ' LEU . 73.9 Cg_endo -75.59 167.24 26.89 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.6 2.2 . . . . 0.0 112.475 -176.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.496 ' O ' HD13 ' A' ' 996' ' ' LEU . 12.8 mm -124.71 162.54 26.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 994' ' ' HIS . 99.7 m -109.8 120.48 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -108.11 110.03 21.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.761 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.529 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 33.6 ttm180 -57.32 132.47 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -178.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 63.8 mt -79.34 127.45 78.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.037 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo . . . . . 0 C--O 1.249 1.031 0 C-N-CA 122.629 2.219 . . . . 0.0 112.264 179.79 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.796 0.332 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -146.71 78.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -156.0 94.43 1.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -96.35 79.48 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.017 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 962' ' ' SER . 23.2 ttmm -164.88 170.73 15.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.694 -177.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 962' ' ' SER . . . . . 0.436 ' H ' ' HG2' ' A' ' 961' ' ' LYS . 90.6 p 51.05 87.36 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.169 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 61.4 m -78.4 137.52 38.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.008 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -64.53 101.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 64.0 p -57.54 136.02 82.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.489 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 69.5 Cg_endo -74.03 150.31 43.04 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.658 2.238 . . . . 0.0 112.243 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.09 129.65 23.58 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.564 2.176 . . . . 0.0 112.207 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . 0.469 ' HB2' ' HA ' ' A' ' 973' ' ' MET . 4.5 p-10 -58.42 127.13 80.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 -178.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.64 144.44 64.3 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.632 2.222 . . . . 0.0 112.238 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.599 HG11 HD21 ' A' ' 971' ' ' ASN . 14.2 p -59.3 145.19 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.599 HD21 HG11 ' A' ' 970' ' ' VAL . 44.5 m-80 73.29 -29.46 0.2 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.514 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . 0.468 ' H ' ' C ' ' A' ' 970' ' ' VAL . . . -123.76 -149.36 7.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.529 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 973' ' ' MET . . . . . 0.469 ' HA ' ' HB2' ' A' ' 968' ' ' ASP . 0.0 OUTLIER -165.35 -175.9 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . 0.452 HG12 ' CD1' ' A' ' 988' ' ' TYR . 8.6 m -90.3 -174.54 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.298 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -149.67 88.16 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.51 100.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.792 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.598 HD12 HG23 ' A' ' 987' ' ' THR . 66.4 mt -60.09 -37.77 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.37 -176.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 62.0 m -152.07 -59.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.194 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -145.54 -168.34 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.666 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 2.6 pt -147.01 36.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.042 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -92.59 -171.42 2.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.776 177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.79 131.55 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.016 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.97 -9.48 75.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.43 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 84.1 p -73.55 168.78 18.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.473 ' O ' HD11 ' A' ' 977' ' ' ILE . 80.2 ttt180 -153.06 86.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 46.0 pt -76.67 -178.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 987' ' ' THR . . . . . 0.598 HG23 HD12 ' A' ' 977' ' ' ILE . 63.8 p -141.51 150.95 42.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 111.187 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.452 ' CD1' HG12 ' A' ' 974' ' ' VAL . 76.3 m-85 -97.79 131.53 44.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.761 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 47.0 t -95.8 -43.99 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.403 -172.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 1.3 m 57.61 -175.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.085 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.511 ' HG1' ' H ' ' A' ' 992' ' ' THR . 2.6 p -69.44 -95.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.414 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 992' ' ' THR . . . . . 0.511 ' H ' ' HG1' ' A' ' 991' ' ' THR . 96.1 m -138.65 -73.13 0.4 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.207 -178.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . -100.66 51.88 0.97 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.58 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -126.17 137.0 53.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -96.29 144.11 26.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.799 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.431 HD23 ' H ' ' A' ' 999' ' ' HIS . 8.5 tt -89.49 127.08 35.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.693 HD11 ' HB ' ' A' 1019 ' ' ILE . 4.1 mp -74.14 81.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 175.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 167.37 -94.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -174.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . 0.431 ' H ' HD23 ' A' ' 996' ' ' LEU . 80.2 t60 -145.42 -85.68 0.12 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.648 0.261 . . . . 0.0 111.023 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 48.1 t -179.95 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.87 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1001 ' ' SER . . . . . 0.425 ' H ' ' HD2' ' A' ' 999' ' ' HIS . 80.0 p -137.25 -175.64 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -177.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -141.96 136.14 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.258 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -122.58 121.74 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.668 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1004 ' ' CYS . . . . . 0.5 ' SG ' ' HB3' ' A' 1011 ' ' ALA . 45.2 t -76.14 102.64 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.026 -175.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 44.3 pt -124.63 143.48 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.208 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 65.9 mt -73.08 99.13 2.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 54.9 m -92.41 27.89 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.963 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 164.47 -91.36 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -138.5 10.17 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 48.0 m -145.12 138.77 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.5 ' HB3' ' SG ' ' A' 1004 ' ' CYS . . . -72.25 114.15 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.243 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.82 172.4 12.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.734 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.587 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 85.9 m95 -93.0 143.09 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 50.7 m -64.52 -16.87 63.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 7.3 t -105.07 137.14 43.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.912 0.387 . . . . 0.0 111.29 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.528 ' HD2' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -60.58 164.03 7.96 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.775 176.767 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1017 ' ' PRO . . . . . 0.507 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 81.1 Cg_exo -40.83 121.02 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.69 2.26 . . . . 0.0 112.479 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.418 ' HG3' ' CE1' ' A' ' 988' ' ' TYR . 74.5 Cg_endo -75.48 142.57 26.59 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.64 2.227 . . . . 0.0 112.699 -171.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.693 ' HB ' HD11 ' A' ' 997' ' ' ILE . 12.0 mt -126.96 163.11 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.513 173.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.453 ' N ' HG21 ' A' 1019 ' ' ILE . 5.7 t -133.76 100.15 4.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -109.45 134.86 51.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.99 -176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.543 ' HD3' ' H ' ' A' 1022 ' ' ARG . 0.0 OUTLIER -63.19 143.09 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.88 178.179 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1023 ' ' ILE . . . . . 0.543 ' N ' ' HD2' ' A' 1024 ' ' PRO . 66.0 mt -85.55 -50.41 0.53 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.534 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1024 ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' 1023 ' ' ILE . 49.9 Cg_endo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.194 1.929 . . . . 0.0 112.339 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -153.84 23.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -101.69 18.87 19.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.962 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -132.18 -71.65 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.05 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.563 ' HD2' ' HB ' ' A' ' 982' ' ' VAL . 39.7 ttpt -167.63 112.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 78.8 p 178.29 131.68 0.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 98.5 m -99.35 143.53 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.754 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -85.64 20.15 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.319 -172.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 965' ' ' THR . . . . . 0.669 HG22 HG22 ' A' ' 980' ' ' ILE . 12.0 p 61.95 137.79 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.65 176.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.409 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 72.7 Cg_endo -76.03 139.41 21.67 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.619 2.212 . . . . 0.0 112.293 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.23 138.2 46.2 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.52 2.147 . . . . 0.0 112.18 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -59.06 114.53 9.32 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.39 163.92 32.71 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.529 2.152 . . . . 0.0 112.206 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.42 134.47 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.113 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 57.31 16.74 3.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -128.13 160.89 22.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.694 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -150.99 101.11 2.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 0.0 110.876 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.55 164.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.285 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -115.45 94.59 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.998 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.92 111.28 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.818 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.14 -63.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.21 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 55.9 m -156.42 -31.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.005 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -144.2 -170.54 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.515 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.669 HG22 HG22 ' A' ' 965' ' ' THR . 1.5 pp -143.6 29.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.108 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -108.53 -172.21 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.662 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . 0.563 ' HB ' ' HD2' ' A' ' 961' ' ' LYS . 79.6 t -64.41 133.03 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.044 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 106.09 -16.04 42.96 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.276 -176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 84.0 p -100.72 131.75 46.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.728 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -119.89 93.86 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 44.5 pt -89.56 171.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 66.1 p -141.48 150.19 41.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.407 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.41 127.17 34.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.601 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 47.1 t -81.44 -62.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.46 -172.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 15.3 m 61.24 125.21 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 -169.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.445 HG22 ' ND1' ' A' ' 994' ' ' HIS . 3.5 t -56.47 147.34 22.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.312 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 72.5 m -54.36 130.21 38.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.227 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 105.63 7.03 37.41 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.325 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.581 ' NE2' ' HG2' ' A' 1022 ' ' ARG . 42.6 m80 -132.85 147.58 52.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 110.915 -178.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -102.82 167.8 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.593 ' HG ' ' HB2' ' A' 1000 ' ' SER . 3.9 mm? -96.9 124.24 40.82 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.198 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.774 HD12 ' HB2' ' A' 1021 ' ' GLN . 18.8 mm -87.23 45.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.182 0.515 . . . . 0.0 110.32 169.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . 0.437 ' HA3' ' HB3' ' A' 1018 ' ' PRO . . . -159.14 -95.17 0.1 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.585 -175.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -162.56 -11.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 111.095 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1000 ' ' SER . . . . . 0.593 ' HB2' ' HG ' ' A' ' 996' ' ' LEU . 35.3 t 62.86 14.1 7.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.938 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 66.3 m -158.56 145.79 17.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -143.04 165.43 27.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -139.9 129.56 24.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1004 ' ' CYS . . . . . 0.408 ' O ' HG23 ' A' ' 982' ' ' VAL . 43.2 t -72.75 104.39 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -178.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.3 pt -130.47 145.43 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.602 ' HG ' ' HB1' ' A' 1011 ' ' ALA . 4.7 mp -81.91 137.55 35.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 58.3 m -114.22 31.3 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 121.65 -95.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.531 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.0 m120 -109.81 9.43 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 110.91 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 61.1 m -149.65 122.06 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.602 ' HB1' ' HG ' ' A' 1006 ' ' LEU . . . -96.38 125.1 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.3 p80 -142.35 178.01 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.446 ' HE1' ' HA ' ' A' ' 965' ' ' THR . 84.8 m95 -85.24 139.48 31.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.99 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 50.1 m -55.55 -74.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 -172.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 79.9 p -65.02 138.07 58.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.372 -174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1016 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 154.01 76.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.602 175.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.95 103.4 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.587 2.191 . . . . 0.0 112.047 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.572 ' HB2' HD12 ' A' ' 996' ' ' LEU . 2.8 Cg_exo -76.43 153.22 34.97 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.914 2.409 . . . . 0.0 112.329 -172.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' 1020 ' ' CYS . 9.4 mt -93.02 162.57 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.68 175.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.436 ' N ' HG21 ' A' 1019 ' ' ILE . 55.6 m -101.81 96.52 7.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.812 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1021 ' ' GLN . . . . . 0.774 ' HB2' HD12 ' A' ' 997' ' ' ILE . 57.9 tp60 -62.15 124.19 20.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.059 -176.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.581 ' HG2' ' NE2' ' A' ' 994' ' ' HIS . 1.0 OUTLIER -88.56 82.8 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.639 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 35.6 pt -62.62 143.51 96.43 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.312 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.578 2.186 . . . . 0.0 112.246 -179.702 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -108.04 113.17 26.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.12 -71.09 0.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.649 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -166.65 117.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -111.28 139.53 46.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.8 t -136.34 143.9 44.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 84.3 m -92.26 135.4 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -141.24 105.67 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 965' ' ' THR . . . . . 0.737 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 89.6 m -161.84 -53.78 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.85 -175.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 965' ' ' THR . 10.9 Cg_endo -54.56 108.34 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.831 2.354 . . . . 0.0 112.609 -174.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.09 -167.41 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.029 2.486 . . . . 0.0 112.041 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -95.03 105.98 22.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.73 134.62 41.47 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.5 2.133 . . . . 0.0 112.418 -176.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.51 141.86 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.967 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 53.38 59.24 4.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.827 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 163.07 -154.74 25.81 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.443 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -166.39 137.32 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.963 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.08 145.04 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.985 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -67.36 -60.48 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.94 -175.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 72.7 t 56.97 101.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.245 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.413 HG12 HG21 ' A' ' 986' ' ' ILE . 50.1 mm -56.86 -76.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.202 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 69.0 m -158.63 -66.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -105.35 -7.72 18.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 43.0 pt 36.41 46.98 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.872 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -91.21 -172.98 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.818 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.79 133.84 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 96.34 -23.42 34.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.53 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 44.5 t -75.12 158.15 33.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -136.7 109.88 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.956 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.413 HG21 HG12 ' A' ' 977' ' ' ILE . 42.9 pt -96.8 171.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 68.6 p -133.89 128.77 35.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.234 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.409 ' OH ' ' HB3' ' A' ' 966' ' ' PRO . 72.4 m-85 -91.58 124.64 35.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.72 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 80.1 p -132.54 128.46 37.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.004 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 72.5 m -89.58 -173.9 4.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.804 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 5.1 t -79.35 156.46 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 176.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 3.3 t -57.02 120.55 8.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.293 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 110.25 15.81 11.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.538 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 65.8 m80 -137.27 145.0 42.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.022 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.549 ' HB3' HE21 ' A' 1021 ' ' GLN . 78.6 ttt180 -106.37 153.47 22.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.538 HD12 ' H ' ' A' ' 999' ' ' HIS . 1.2 tm? -76.15 125.08 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -176.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.768 HD11 ' HB3' ' A' 1021 ' ' GLN . 37.9 mm -83.16 82.22 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.677 173.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . 0.555 ' HA2' ' NZ ' ' A' 1016 ' ' LYS . . . 153.93 -93.9 0.14 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.347 -174.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . 0.538 ' H ' HD12 ' A' ' 996' ' ' LEU . 36.7 t60 -144.64 -81.11 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.649 0.261 . . . . 0.0 110.714 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 91.0 p -176.14 -48.69 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.859 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 79.7 p -138.07 179.26 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.608 ' HB3' HG22 ' A' 1015 ' ' THR . . . -141.98 172.01 13.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -144.26 137.66 27.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.767 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 56.4 m -63.15 91.25 0.05 OUTLIER 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 18.3 pt -105.92 154.63 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.36 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 76.3 mt -104.79 126.95 52.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.887 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 51.5 m -107.37 -23.36 12.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -151.02 -81.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.424 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.63 14.69 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 51.0 m -148.15 134.3 19.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.047 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.44 115.08 14.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -126.17 143.53 51.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.63 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.516 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 71.7 m95 -67.76 146.83 53.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 68.6 p -60.01 -67.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.174 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1015 ' ' THR . . . . . 0.608 HG22 ' HB3' ' A' 1002 ' ' ALA . 9.1 t -69.79 152.77 44.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.371 -175.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.555 ' NZ ' ' HA2' ' A' ' 998' ' ' GLY . 0.0 OUTLIER -79.9 160.64 68.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.767 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -44.32 106.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.65 2.233 . . . . 0.0 112.424 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.502 ' HB3' HD13 ' A' ' 996' ' ' LEU . 57.4 Cg_endo -71.66 148.59 53.4 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.626 2.217 . . . . 0.0 112.66 -173.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.608 ' HB ' HG13 ' A' ' 997' ' ' ILE . 13.4 mm -115.17 165.36 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.567 176.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.482 ' N ' HG23 ' A' 1019 ' ' ILE . 58.5 m -111.28 107.41 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -178.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1021 ' ' GLN . . . . . 0.768 ' HB3' HD11 ' A' ' 997' ' ' ILE . 11.2 pt20 -92.78 146.29 23.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -81.51 107.22 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 61.4 mt -66.08 128.0 93.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 C--O 1.248 1.004 0 C-N-CA 122.552 2.168 . . . . 0.0 112.237 179.444 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -90.17 9.67 27.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.12 -47.22 29.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -90.91 103.04 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -83.4 147.45 27.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 962' ' ' SER . . . . . 0.445 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 53.6 m -124.34 168.39 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 71.1 m -89.42 161.36 16.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -151.08 41.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 965' ' ' THR . . . . . 0.709 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 70.6 m -103.38 -51.79 0.13 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.292 -171.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.709 ' HD2' ' H ' ' A' ' 965' ' ' THR . 6.5 Cg_endo -49.54 105.46 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.967 2.445 . . . . 0.0 112.75 -168.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -85.27 -165.0 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.868 2.379 . . . . 0.0 112.175 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.81 110.39 63.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.774 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . 0.411 ' HG2' ' C ' ' A' ' 972' ' ' GLY . 33.5 Cg_endo -64.96 167.48 15.8 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.6 2.2 . . . . 0.0 112.394 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.12 128.95 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.768 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 57.86 12.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.085 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . 0.411 ' C ' ' HG2' ' A' ' 969' ' ' PRO . . . -130.39 -165.0 11.47 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 973' ' ' MET . . . . . 0.459 ' HG3' ' NE2' ' A' ' 975' ' ' HIS . 23.8 ptt? -163.42 135.16 4.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 110.829 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.4 145.93 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . 0.459 ' NE2' ' HG3' ' A' ' 973' ' ' MET . 77.9 m-70 -129.64 145.04 51.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 6.7 p -109.15 119.63 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.722 HD12 HG22 ' A' ' 987' ' ' THR . 48.1 mt -75.91 -35.15 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.23 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 48.2 p -138.78 -68.01 0.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -150.86 -171.16 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 980' ' ' ILE . 28.2 mm -118.96 -7.52 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . 0.445 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 4.0 pt20 -67.29 -173.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.981 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.6 133.57 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 89.78 8.9 66.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.709 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 91.5 p -98.17 146.8 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.801 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -121.68 130.91 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.459 ' HB ' ' O ' ' A' ' 975' ' ' HIS . 36.9 pt -128.44 169.6 19.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 987' ' ' THR . . . . . 0.722 HG22 HD12 ' A' ' 977' ' ' ILE . 71.5 p -135.29 130.45 35.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.167 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -87.63 136.96 32.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.2 m -120.89 169.15 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 22.4 t -153.23 162.37 41.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.481 HG22 ' ND1' ' A' ' 994' ' ' HIS . 5.1 t -60.8 151.78 28.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.304 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 64.7 m -60.32 137.67 58.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 94.42 8.19 60.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.327 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.481 ' ND1' HG22 ' A' ' 991' ' ' THR . 44.5 m80 -134.85 114.78 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.771 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.622 ' HB2' HD11 ' A' 1023 ' ' ILE . 9.8 mpt_? -90.36 136.82 32.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.052 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' 1018 ' ' PRO . 9.3 tt -75.5 126.6 31.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.837 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.2 79.38 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 173.29 -115.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.469 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -140.62 -0.2 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.871 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 97.3 p 49.09 27.44 1.73 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.453 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 46.6 t -162.96 161.74 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -164.78 172.85 12.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -145.61 136.11 24.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 5.3 m -68.13 88.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 30.0 pt -99.85 128.86 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.214 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 31.2 mt -86.15 117.8 25.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.04 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.675 ' HB2' ' HE2' ' A' 1012 ' ' HIS . 49.4 m -143.8 91.24 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 105.29 39.53 2.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.46 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.1 m120 57.64 24.88 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 110.997 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 7.2 t -142.51 131.71 23.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -85.9 114.3 22.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1012 ' ' HIS . . . . . 0.675 ' HE2' ' HB2' ' A' 1007 ' ' SER . 19.0 p80 -140.45 141.95 35.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.754 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.646 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 65.7 m95 -69.71 147.57 50.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 76.8 p -61.36 -62.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 77.7 p -68.07 141.79 56.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.42 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.48 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.2 OUTLIER -64.44 158.51 65.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 176.357 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1017 ' ' PRO . . . . . 0.48 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.2 Cg_endo -52.42 108.2 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.735 2.29 . . . . 0.0 112.265 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.62 ' HB3' HD21 ' A' ' 996' ' ' LEU . 36.6 Cg_exo -58.44 159.02 20.93 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.787 2.324 . . . . 0.0 112.506 -175.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.475 HG21 ' N ' ' A' 1020 ' ' CYS . 10.9 mt -132.03 164.07 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.718 177.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.475 ' N ' HG21 ' A' 1019 ' ' ILE . 79.4 m -106.16 120.28 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.982 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -112.83 104.92 12.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.851 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -56.4 145.15 28.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1023 ' ' ILE . . . . . 0.622 HD11 ' HB2' ' A' ' 995' ' ' ARG . 24.8 mm -102.53 127.3 30.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.135 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 C--O 1.248 1.022 0 C-N-CA 122.561 2.174 . . . . 0.0 112.329 179.319 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.864 0.364 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 60.84 -172.72 0.13 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.199 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 56.23 84.84 0.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -75.09 88.73 2.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.551 ' HE2' HG13 ' A' ' 980' ' ' ILE . 59.6 tttm -114.75 117.17 30.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 80.3 p -177.76 30.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.053 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 63.4 m -79.4 125.91 30.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.842 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -65.61 94.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 65.0 p -60.68 130.99 90.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.522 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 91.7 Cg_endo -79.67 142.33 16.04 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.669 2.246 . . . . 0.0 112.53 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.52 147.26 70.32 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.5 2.133 . . . . 0.0 111.935 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -51.77 106.47 0.66 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . 0.502 ' O ' HG11 ' A' ' 970' ' ' VAL . 13.5 Cg_exo -69.97 106.23 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.761 2.307 . . . . 0.0 112.095 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.811 HG23 ' H ' ' A' ' 971' ' ' ASN . 2.9 p 43.44 -164.2 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.454 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.811 ' H ' HG23 ' A' ' 970' ' ' VAL . 23.0 m-80 -47.82 -33.17 6.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.669 0.271 . . . . 0.0 111.145 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . 0.652 ' HA2' ' HA ' ' A' ' 990' ' ' CYS . . . -61.27 121.58 26.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.534 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptm -92.1 136.17 33.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.944 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.65 141.16 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.981 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -104.12 89.39 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 7.7 p -74.65 122.55 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.914 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.457 HD13 ' O ' ' A' ' 985' ' ' ARG . 58.1 mt -58.64 -82.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.255 -175.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 47.8 m -161.47 -24.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.899 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . 0.532 ' HB3' HE22 ' A' ' 981' ' ' GLN . 10.6 m-20 -143.9 124.35 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.551 HG13 ' HE2' ' A' ' 961' ' ' LYS . 5.3 pt -103.97 49.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.449 -173.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . 0.532 HE22 ' HB3' ' A' ' 979' ' ' ASP . 0.1 OUTLIER -91.31 166.71 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.763 173.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.58 134.85 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 101.29 -3.63 54.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.279 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 62.1 m -81.84 162.24 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.457 ' O ' HD13 ' A' ' 977' ' ' ILE . 40.3 ttm180 -142.16 87.85 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -178.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.408 HG21 HG13 ' A' ' 977' ' ' ILE . 44.4 pt -80.68 171.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 78.8 p -128.72 143.8 51.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.293 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.522 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 22.6 m-85 -109.84 139.87 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.796 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 33.4 t -147.85 174.94 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.052 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . 0.652 ' HA ' ' HA2' ' A' ' 972' ' ' GLY . 46.9 m -100.24 155.83 17.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.018 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 8.3 t -73.14 -4.03 30.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.353 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 80.3 m -128.41 -37.75 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 131.37 20.82 1.09 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.43 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.579 ' HB2' ' SG ' ' A' 1020 ' ' CYS . 42.9 m-70 -73.57 -173.43 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.858 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.565 ' HE ' ' H ' ' A' ' 996' ' ' LEU . 6.2 tpm_? -93.84 148.32 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -175.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.565 ' H ' ' HE ' ' A' ' 995' ' ' ARG . 1.3 tm? -95.53 114.58 26.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.465 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.615 HD11 ' HB ' ' A' 1019 ' ' ILE . 3.9 mp -82.39 87.25 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.578 177.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 149.26 -108.97 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.405 -176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . 0.477 ' NE2' ' HB3' ' A' 1001 ' ' SER . 19.2 t-160 -144.6 117.75 8.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 110.798 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 80.4 p -82.07 34.57 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1001 ' ' SER . . . . . 0.477 ' HB3' ' NE2' ' A' ' 999' ' ' HIS . 43.7 t -157.28 158.64 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.713 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.519 ' HB3' ' HB3' ' A' 1013 ' ' TRP . . . -137.48 164.36 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.483 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1003 ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' 1005 ' ' ILE . 41.1 tt0 -153.43 104.64 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.54 175.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 43.2 t -57.24 98.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1005 ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' 1003 ' ' GLU . 40.7 pt -123.04 139.51 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.302 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.578 ' HG ' ' HB3' ' A' 1011 ' ' ALA . 4.2 mp -88.39 158.71 18.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.455 ' HG ' ' HE2' ' A' 1012 ' ' HIS . 78.5 p -153.5 17.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 95.36 -24.17 30.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.532 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -110.61 62.15 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.851 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 30.3 m 63.69 133.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.413 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.578 ' HB3' ' HG ' ' A' 1006 ' ' LEU . . . -61.73 115.23 3.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1012 ' ' HIS . . . . . 0.455 ' HE2' ' HG ' ' A' 1007 ' ' SER . 16.4 p80 -127.53 155.24 44.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.519 ' HB3' ' HB3' ' A' 1002 ' ' ALA . 55.4 m95 -70.69 142.82 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.711 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 78.9 p -74.79 4.11 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.344 -173.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1015 ' ' THR . . . . . 0.468 HG23 ' CE1' ' A' ' 988' ' ' TYR . 41.4 p -59.9 137.11 58.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.968 0.413 . . . . 0.0 111.616 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' 1016 ' ' LYS . 0.5 OUTLIER -85.04 155.54 60.78 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.193 167.069 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -43.05 101.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.73 2.286 . . . . 0.0 112.67 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -81.89 146.19 14.54 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.74 2.293 . . . . 0.0 112.521 -175.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.615 ' HB ' HD11 ' A' ' 997' ' ' ILE . 13.8 mt -137.61 164.6 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' A' ' 994' ' ' HIS . 46.7 t -124.16 117.8 25.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.757 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1021 ' ' GLN . . . . . 0.527 ' O ' ' HB3' ' A' ' 994' ' ' HIS . 25.3 tp60 -128.6 121.98 29.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.965 -175.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.574 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 36.0 ttm180 -56.59 116.54 3.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 12.7 pt -77.07 136.65 65.78 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.212 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.587 2.191 . . . . 0.0 112.272 179.638 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -122.07 -16.96 7.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -156.23 105.46 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.982 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -85.22 122.09 28.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.562 ' HD2' ' HB ' ' A' ' 982' ' ' VAL . 16.4 tppt? -165.07 166.3 19.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.793 -177.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 962' ' ' SER . . . . . 0.538 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 51.0 m 65.67 107.67 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.221 177.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 98.4 m -66.46 174.3 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.762 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -124.91 38.48 4.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.064 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 965' ' ' THR . . . . . 0.597 HG23 HG23 ' A' ' 980' ' ' ILE . 19.1 p 61.16 135.88 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.875 174.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.45 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 93.1 Cg_endo -80.0 134.35 10.53 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.71 141.4 64.77 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.616 2.211 . . . . 0.0 112.201 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 969' ' ' PRO . 2.9 p30 -55.83 107.77 0.99 Allowed Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 -177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . 0.448 ' O ' HG11 ' A' ' 970' ' ' VAL . 3.1 Cg_exo -81.55 121.45 3.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.047 2.498 . . . . 0.0 112.37 -176.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.818 HG22 ' H ' ' A' ' 971' ' ' ASN . 2.8 p 44.31 -164.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.695 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.818 ' H ' HG22 ' A' ' 970' ' ' VAL . 2.7 m-20 -48.11 -35.25 11.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.779 0.323 . . . . 0.0 111.225 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . 0.631 ' H ' HG13 ' A' ' 970' ' ' VAL . . . -64.84 171.47 22.09 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.592 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 973' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 973' ' ' MET . 1.5 pmm? -143.68 143.92 31.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.0 p -88.19 134.88 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -94.79 118.01 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 83.9 t -90.88 114.59 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 175.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.546 HG22 HG23 ' A' ' 978' ' ' THR . 56.6 mt -61.23 -70.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.24 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 978' ' ' THR . . . . . 0.546 HG23 HG22 ' A' ' 977' ' ' ILE . 41.2 p -143.1 -54.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -128.44 -164.59 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.597 HG23 HG23 ' A' ' 965' ' ' THR . 2.2 pt -150.35 34.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.096 -175.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 75.6 mt-30 -96.53 -173.85 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.812 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . 0.562 ' HB ' ' HD2' ' A' ' 961' ' ' LYS . 7.3 p -60.18 139.76 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.034 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 93.04 -14.82 64.33 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.54 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 54.9 m -80.04 134.2 36.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -133.7 87.33 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 -178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.51 HG22 HG13 ' A' ' 977' ' ' ILE . 40.5 pt -82.74 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 177.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 987' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' 1001 ' ' SER . 68.0 p -128.15 142.89 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.36 -174.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.627 ' HE1' ' HB2' ' A' 1002 ' ' ALA . 87.3 m-85 -89.98 145.54 25.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.776 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 28.6 t -142.1 172.91 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.794 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 36.0 t -117.1 163.5 16.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 8.0 t -71.87 -6.8 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.462 -172.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 85.5 m -134.55 -33.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 126.16 13.37 3.26 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.263 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.602 ' HB3' ' H ' ' A' 1022 ' ' ARG . 73.8 m-70 -62.1 148.0 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -62.29 146.79 50.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 -175.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' 1018 ' ' PRO . 6.7 tp -87.82 121.19 29.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.826 HD11 ' HB ' ' A' 1019 ' ' ILE . 3.8 mp -75.22 80.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.061 0.458 . . . . 0.0 110.247 170.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 166.39 -104.45 0.22 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.425 -173.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . 0.422 ' H ' HD21 ' A' ' 996' ' ' LEU . 0.8 OUTLIER -134.7 -91.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.637 0.256 . . . . 0.0 111.129 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 47.8 t 177.35 -35.81 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1001 ' ' SER . . . . . 0.502 ' HB2' HG22 ' A' ' 987' ' ' THR . 44.0 t -150.93 158.05 43.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -175.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.641 ' HB3' ' HB3' ' A' 1013 ' ' TRP . . . -119.52 163.53 17.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.339 -176.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -135.55 124.11 23.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.704 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 40.8 t -61.18 106.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.5 pt -126.09 144.91 34.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.574 HD23 ' HB1' ' A' 1011 ' ' ALA . 70.5 mt -78.61 126.18 30.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 176.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 50.7 m -118.55 20.98 12.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 150.23 -111.51 0.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.432 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -96.61 -1.29 47.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 77.1 m -150.84 137.3 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.574 ' HB1' HD23 ' A' 1006 ' ' LEU . . . -80.55 126.08 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -118.96 168.45 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.792 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.641 ' HB3' ' HB3' ' A' 1002 ' ' ALA . 84.7 m95 -87.22 139.89 30.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 80.5 p -87.81 44.42 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.32 -171.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 11.6 p -118.14 131.71 56.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.894 0.378 . . . . 0.0 111.567 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.449 ' HB3' ' HD2' ' A' 1017 ' ' PRO . 79.5 mttt -60.28 158.39 28.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.494 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1017 ' ' PRO . . . . . 0.449 ' HD2' ' HB3' ' A' 1016 ' ' LYS . 7.6 Cg_endo -49.58 104.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.813 2.342 . . . . 0.0 112.318 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.442 ' HB2' HD13 ' A' ' 996' ' ' LEU . 78.9 Cg_endo -79.06 139.05 14.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.676 2.251 . . . . 0.0 112.488 -175.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.826 ' HB ' HD11 ' A' ' 997' ' ' ILE . 13.1 mt -141.51 166.88 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.748 -177.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.518 ' N ' HG21 ' A' 1019 ' ' ILE . 72.6 m -100.78 103.81 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.789 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1021 ' ' GLN . . . . . 0.507 ' HB2' HD13 ' A' ' 997' ' ' ILE . 53.6 tt0 -65.39 -20.04 66.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.059 -176.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.602 ' H ' ' HB3' ' A' ' 994' ' ' HIS . 55.5 ttp180 64.15 113.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.018 -177.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 68.9 mt -100.71 116.83 63.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.049 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.541 2.161 . . . . 0.0 112.232 179.742 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.723 0.297 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 61.98 107.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.255 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -65.27 -12.0 47.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.032 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . 63.74 -82.9 0.02 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.402 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.879 ' HG2' HD21 ' A' 1006 ' ' LEU . 58.8 tptt -149.85 152.06 34.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 79.7 p -135.47 131.39 36.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.88 146.48 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.076 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -140.0 99.47 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.515 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 965' ' ' THR . . . . . 0.64 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 87.3 m -158.2 -55.89 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.992 -171.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.64 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 71.2 Cg_exo -50.36 104.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.878 2.386 . . . . 0.0 112.824 -168.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -88.7 -163.37 0.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.943 2.429 . . . . 0.0 112.205 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -96.82 102.99 13.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 173.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.72 138.27 82.06 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.656 2.238 . . . . 0.0 112.271 -175.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.06 132.87 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.032 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.4 ' C ' HG23 ' A' ' 991' ' ' THR . 79.5 m-20 53.03 59.3 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 168.3 -156.12 27.36 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.3 ptm -164.07 142.34 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.954 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.2 p -88.02 146.3 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -110.34 102.65 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.151 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.0 110.58 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.713 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 986' ' ' ILE . 49.6 mm -60.23 -56.83 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.234 -177.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 45.4 m -157.09 -33.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -148.63 -168.65 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.596 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 2.6 pt -146.34 37.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -108.99 -175.99 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.78 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.96 137.43 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.027 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 88.95 -10.13 73.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 56.9 m -94.95 132.53 39.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.825 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' 1002 ' ' ALA . 56.9 ttp180 -121.46 105.77 10.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.411 ' HA ' HG12 ' A' ' 977' ' ' ILE . 48.9 pt -89.74 177.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 71.7 p -136.23 131.55 34.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.313 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.474 ' HE2' ' HB1' ' A' 1002 ' ' ALA . 89.1 m-85 -96.22 152.62 18.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.709 177.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 90.7 p -152.25 144.82 24.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 48.1 t -108.05 168.42 9.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.629 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.4 HG23 ' C ' ' A' ' 971' ' ' ASN . 11.2 p -58.86 158.4 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.36 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 62.7 m -62.14 135.55 57.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.095 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 96.99 6.87 57.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.334 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.455 ' NE2' ' HD3' ' A' 1022 ' ' ARG . 25.1 m80 -127.2 171.46 11.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 110.767 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -135.66 125.89 26.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.789 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.511 HD13 ' O ' ' A' 1019 ' ' ILE . 36.4 tp -67.74 124.17 22.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' 1021 ' ' GLN . 4.0 mp -81.1 78.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -178.92 -126.22 0.99 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.23 3.62 3.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.747 0.308 . . . . 0.0 111.143 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1000 ' ' SER . . . . . 0.5 ' HA ' HD23 ' A' ' 996' ' ' LEU . 34.3 t 58.67 20.8 8.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.009 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 68.1 m -157.85 -176.28 5.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.959 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.474 ' HB1' ' HE2' ' A' ' 988' ' ' TYR . . . -170.21 149.16 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1003 ' ' GLU . . . . . 0.461 ' HG2' HG21 ' A' 1005 ' ' ILE . 40.7 tt0 -129.09 120.28 25.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.975 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 41.2 t -71.34 102.06 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1005 ' ' ILE . . . . . 0.461 HG21 ' HG2' ' A' 1003 ' ' GLU . 42.9 pt -127.62 153.86 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.417 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.879 HD21 ' HG2' ' A' ' 961' ' ' LYS . 39.9 mt -94.46 161.21 14.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 175.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 84.8 p -147.87 -27.42 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.982 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -154.06 -86.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.586 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -130.75 -9.64 3.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.816 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 63.4 m -132.29 115.68 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -65.37 130.66 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 16.6 p80 -139.71 145.51 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.737 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.56 ' HE1' ' HD3' ' A' ' 966' ' ' PRO . 69.6 m95 -67.94 142.63 55.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 46.8 t -73.22 -7.76 52.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.356 -172.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 80.8 p -106.78 150.77 25.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 111.271 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.461 ' HB3' ' NZ ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -72.12 154.59 92.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.57 146.52 19.61 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.541 2.16 . . . . 0.0 112.306 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.35 138.31 29.9 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.511 ' O ' HD13 ' A' ' 996' ' ' LEU . 11.3 mt -136.89 164.1 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.691 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.485 ' N ' HG23 ' A' 1019 ' ' ILE . 83.9 m -124.92 125.34 43.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.729 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1021 ' ' GLN . . . . . 0.593 ' HB3' HD11 ' A' ' 997' ' ' ILE . 20.0 pt20 -90.74 -25.54 19.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.455 ' HD3' ' NE2' ' A' ' 994' ' ' HIS . 32.1 tpt180 55.51 87.63 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.876 -179.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 24.0 pt -69.34 144.77 95.12 Favored Pre-proline 0 N--CA 1.452 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.272 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.534 2.156 . . . . 0.0 112.295 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.787 0.327 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -107.77 166.18 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -148.66 119.48 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.659 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -158.4 21.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.032 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.73 ' HZ2' ' HB3' ' A' ' 961' ' ' LYS . 0.0 OUTLIER -148.75 -166.4 2.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.442 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.6 t 60.61 70.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.898 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 74.6 m -59.12 160.56 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.026 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -90.93 110.0 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.685 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 965' ' ' THR . . . . . 0.468 ' HA ' ' HD3' ' A' ' 966' ' ' PRO . 82.8 p -52.57 135.07 44.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.208 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.537 ' HB2' ' HE2' ' A' ' 988' ' ' TYR . 22.8 Cg_exo -64.02 130.73 28.3 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.599 2.199 . . . . 0.0 112.197 -176.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . 0.4 ' O ' ' HD3' ' A' ' 969' ' ' PRO . 34.8 Cg_endo -64.2 127.64 19.71 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.525 2.15 . . . . 0.0 112.139 179.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -74.42 112.25 16.41 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.033 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 967' ' ' PRO . 21.4 Cg_exo -65.23 -162.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.681 2.254 . . . . 0.0 112.178 177.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 10.3 p -52.98 129.25 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.423 ' HB3' ' OG1' ' A' ' 991' ' ' THR . 2.0 m-20 45.65 46.79 11.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.023 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -93.51 159.44 24.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 49.0 tpp -163.18 98.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.67 150.75 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -129.36 138.81 51.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.934 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . 0.596 ' HA ' HG22 ' A' ' 986' ' ' ILE . 7.1 p -91.66 127.65 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 177.128 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.466 HG12 ' HA ' ' A' ' 986' ' ' ILE . 46.6 mm -92.64 -39.34 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.26 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 49.3 p -138.62 -66.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.284 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -148.31 -168.89 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.757 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 980' ' ' ILE . 31.4 mm -124.27 -4.19 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.632 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.87 -171.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.849 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.43 138.53 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.085 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 85.19 7.22 83.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.436 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 88.7 p -85.76 144.7 27.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -132.5 90.9 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 -178.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.596 HG22 ' HA ' ' A' ' 976' ' ' VAL . 33.9 pt -82.13 178.27 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 987' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' 1001 ' ' SER . 74.1 p -135.43 128.88 32.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.28 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.537 ' HE2' ' HB2' ' A' ' 966' ' ' PRO . 0.2 OUTLIER -100.31 138.92 36.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.678 176.357 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.6 m -146.69 -11.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.417 -174.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 83.6 m 57.57 -167.14 0.13 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.423 ' OG1' ' HB3' ' A' ' 971' ' ' ASN . 7.3 p -66.0 161.77 20.78 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.29 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 80.7 m -71.12 108.52 4.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 119.5 7.26 9.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.485 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -124.82 134.51 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.506 ' HE ' ' H ' ' A' ' 996' ' ' LEU . 6.9 tpm_? -91.99 126.03 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -178.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.799 HD12 ' HB2' ' A' 1018 ' ' PRO . 8.5 tp -71.77 133.68 45.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.787 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.828 ' HB ' HD12 ' A' 1019 ' ' ILE . 22.9 mm -96.02 58.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.034 0.445 . . . . 0.0 110.725 176.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -151.96 -121.93 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.543 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -126.8 -0.17 6.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1000 ' ' SER . . . . . 0.419 ' H ' HD23 ' A' ' 996' ' ' LEU . 33.7 t 58.34 30.56 19.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1001 ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 987' ' ' THR . 30.4 t -174.29 -177.39 1.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.694 -176.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.526 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -166.42 167.37 15.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -148.19 134.0 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.983 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 16.7 m -76.72 100.17 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.174 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 32.3 pt -112.09 169.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.429 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 69.2 mt -126.62 130.82 51.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.942 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 85.1 p -148.84 11.59 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -155.25 -92.88 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -145.7 -9.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 4.9 t -133.48 131.81 40.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.196 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -68.05 113.54 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.0 p80 -115.52 -177.36 3.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.642 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.526 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 82.2 m95 -97.65 136.7 37.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.4 t -71.6 -8.32 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.209 -173.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1015 ' ' THR . . . . . 0.456 HG21 ' O ' ' A' 1001 ' ' SER . 70.0 p -100.56 132.76 45.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.239 -177.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' 1016 ' ' LYS . 0.1 OUTLIER -58.87 159.11 14.14 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.969 178.815 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1017 ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.9 Cg_endo -51.29 113.08 0.96 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.777 2.318 . . . . 0.0 112.212 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.799 ' HB2' HD12 ' A' ' 996' ' ' LEU . 43.0 Cg_endo -67.96 160.93 46.33 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.636 2.224 . . . . 0.0 112.5 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.828 HD12 ' HB ' ' A' ' 997' ' ' ILE . 2.0 mp -129.91 162.61 37.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.747 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.479 ' N ' HG23 ' A' 1019 ' ' ILE . 65.2 m -118.91 87.44 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.779 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -80.36 139.76 36.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.668 ' H ' ' HD2' ' A' 1022 ' ' ARG . 0.0 OUTLIER -101.14 81.31 2.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.745 175.264 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1023 ' ' ILE . . . . . 0.489 HD11 ' O ' ' A' 1023 ' ' ILE . 1.6 pp -57.02 152.6 27.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.375 -176.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.444 2.096 . . . . 0.0 112.334 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.752 0.31 . . . . 0.0 110.664 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 56.72 84.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 60.51 178.46 0.1 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.066 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -111.02 88.17 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.007 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.715 ' HE2' ' HB3' ' A' ' 981' ' ' GLN . 82.6 tttt -159.38 170.44 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.681 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 962' ' ' SER . . . . . 0.561 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 48.1 t 66.19 117.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.006 0.431 . . . . 0.0 111.077 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.11 167.86 21.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.142 -177.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.47 -167.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.49 172.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 69.8 p -127.11 129.94 23.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.132 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.448 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 57.2 Cg_endo -71.02 154.77 62.59 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.602 2.201 . . . . 0.0 112.34 -178.14 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.41 141.25 67.13 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.62 2.213 . . . . 0.0 112.229 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.09 116.02 14.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . 0.431 ' HG3' ' HG2' ' A' 1018 ' ' PRO . 33.2 Cg_exo -58.07 155.82 32.22 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.664 2.243 . . . . 0.0 112.243 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.88 128.94 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.486 ' O ' HG23 ' A' ' 991' ' ' THR . 72.0 m-20 52.87 31.79 11.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -178.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.91 166.88 28.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.61 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.1 ptm -143.22 129.76 20.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.7 p -82.14 142.96 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.011 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -102.2 86.13 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.67 122.96 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 175.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.639 HG12 HG23 ' A' ' 986' ' ' ILE . 48.2 mm -56.25 -81.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 -175.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 46.5 p -147.65 -57.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.042 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -132.25 -3.98 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.558 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 40.0 pt 39.9 49.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.744 173.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . 0.715 ' HB3' ' HE2' ' A' ' 961' ' ' LYS . 51.5 mt-30 -70.64 -169.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.724 176.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.48 130.69 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.038 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.17 -12.16 70.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 54.9 m -66.96 156.99 34.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' 1002 ' ' ALA . 40.2 ttm180 -139.6 115.58 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.639 HG23 HG12 ' A' ' 977' ' ' ILE . 38.5 pt -102.55 176.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 175.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 67.5 p -135.13 140.33 45.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.198 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.448 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 77.2 m-85 -102.49 146.15 28.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 54.0 m -154.14 135.79 14.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 111.203 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 14.9 t -88.02 175.32 7.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.376 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 971' ' ' ASN . 3.8 p -58.56 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.942 0.401 . . . . 0.0 111.416 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 992' ' ' THR . . . . . 0.507 HG23 ' H ' ' A' ' 993' ' ' GLY . 5.8 m -77.89 168.93 19.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.625 177.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . 0.507 ' H ' HG23 ' A' ' 992' ' ' THR . . . -53.87 96.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.466 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.614 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 28.9 m-70 -133.72 160.62 37.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.852 -176.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.1 140.43 29.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.714 HD12 ' HB2' ' A' 1018 ' ' PRO . 20.7 tp -91.62 129.54 37.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.711 HD13 ' HB ' ' A' 1019 ' ' ILE . 4.0 mp -82.31 85.91 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.975 0.417 . . . . 0.0 110.686 175.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 146.48 -108.62 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.362 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -154.76 128.25 8.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.702 0.287 . . . . 0.0 110.739 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 79.2 p -79.86 41.63 0.51 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.279 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 85.0 p -175.42 151.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.425 ' O ' ' HG3' ' A' ' 985' ' ' ARG . . . -146.78 168.49 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -142.5 135.39 28.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.759 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 1.7 m -65.73 103.88 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 31.5 pt -121.41 125.85 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.184 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.504 HD11 ' N ' ' A' 1006 ' ' LEU . 4.5 mp -83.25 130.75 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.877 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.0 p -100.13 16.75 23.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 140.19 -101.33 0.3 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 57.3 t30 -96.53 -4.52 41.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.783 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 6.9 t -128.78 155.09 45.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.415 ' HB3' ' HG ' ' A' 1006 ' ' LEU . . . -124.89 133.32 53.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.2 p80 -145.77 -176.73 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1013 ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.99 153.84 18.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 33.6 t -93.81 33.71 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 9.8 t -132.99 140.9 48.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.33 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.55 ' HZ1' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -74.96 159.63 82.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.73 176.212 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1017 ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 7.2 Cg_endo -49.45 107.87 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.783 2.322 . . . . 0.0 112.186 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.714 ' HB2' HD12 ' A' ' 996' ' ' LEU . 58.5 Cg_endo -71.94 146.59 47.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.717 2.278 . . . . 0.0 112.55 -174.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.711 ' HB ' HD13 ' A' ' 997' ' ' ILE . 10.9 mt -132.02 164.57 34.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.642 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.486 ' N ' HG22 ' A' 1019 ' ' ILE . 48.6 t -105.35 122.25 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.746 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -46.56 16.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 -174.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.614 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 58.8 ttp180 65.12 112.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.179 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 3.4 pt -107.04 107.16 60.07 Favored Pre-proline 0 N--CA 1.451 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.189 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 122.541 2.16 . . . . 0.0 112.229 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.718 0.294 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -151.31 171.02 18.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.054 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.72 18.92 3.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.044 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -103.97 -168.82 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.049 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.733 ' HB2' ' HZ2' ' A' ' 961' ' ' LYS . 4.7 ttmp? 64.64 166.76 0.16 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 962' ' ' SER . . . . . 0.457 ' N ' ' HG2' ' A' ' 961' ' ' LYS . 49.8 m 63.14 94.68 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.047 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 88.5 m -74.88 169.85 17.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.961 177.183 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 964' ' ' LYS . 0.3 OUTLIER -78.89 110.84 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 -179.521 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 61.1 p -59.41 135.79 88.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.13 112.76 1.32 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.64 2.227 . . . . 0.0 112.227 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.92 71.85 4.07 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.582 2.188 . . . . 0.0 112.391 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.4 t70 51.65 91.83 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.245 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.51 -154.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.838 2.359 . . . . 0.0 112.397 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.787 HG23 ' H ' ' A' ' 971' ' ' ASN . 3.1 p -55.56 -174.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.868 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.787 ' H ' HG23 ' A' ' 970' ' ' VAL . 22.2 m-80 -42.38 -32.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 111.357 -176.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . 0.596 ' H ' HG11 ' A' ' 970' ' ' VAL . . . -70.13 111.11 3.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.581 176.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 973' ' ' MET . . . . . 0.572 ' HE2' ' HE2' ' A' ' 975' ' ' HIS . 0.0 OUTLIER -66.86 146.32 54.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.819 0.342 . . . . 0.0 110.972 -179.805 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.26 149.68 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . 0.572 ' HE2' ' HE2' ' A' ' 973' ' ' MET . 73.2 m-70 -126.02 150.96 47.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 -177.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 95.1 t -111.26 115.81 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.814 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.616 HG23 HG23 ' A' ' 978' ' ' THR . 50.4 mm -65.31 -51.28 66.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.28 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 978' ' ' THR . . . . . 0.616 HG23 HG23 ' A' ' 977' ' ' ILE . 54.1 p -140.49 -65.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.305 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -144.79 -173.34 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.475 HG23 ' HZ2' ' A' 1013 ' ' TRP . 27.6 mm -123.87 65.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.697 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -122.82 165.17 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.703 -177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . 0.421 ' HA ' ' HB3' ' A' 1004 ' ' CYS . 4.6 p -64.05 120.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.964 177.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 106.88 -11.4 41.35 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.465 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 52.4 m -93.5 142.92 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.757 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . 0.424 ' HA ' ' O ' ' A' 1002 ' ' ALA . 60.7 ttp180 -119.1 121.62 40.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.995 -177.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.483 ' HA ' HG12 ' A' ' 977' ' ' ILE . 42.2 pt -94.29 175.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 175.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 76.1 p -133.99 133.04 40.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.348 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -95.94 152.24 18.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.597 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.7 m -147.93 133.51 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.057 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . 0.53 ' SG ' ' HB2' ' A' ' 994' ' ' HIS . 95.3 m -84.73 172.21 11.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.021 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.479 ' HG1' ' H ' ' A' ' 992' ' ' THR . 22.8 p -62.16 -76.61 0.06 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.51 -176.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 992' ' ' THR . . . . . 0.479 ' H ' ' HG1' ' A' ' 991' ' ' THR . 28.2 m -120.1 74.65 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 -178.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 56.66 86.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.862 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.533 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 15.9 m-70 -127.6 136.03 51.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.728 0.299 . . . . 0.0 110.777 176.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -71.0 113.99 8.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.23 131.04 44.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.003 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.615 HD12 ' HB ' ' A' 1019 ' ' ILE . 1.7 mt -89.52 34.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.393 0.616 . . . . 0.0 110.553 177.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -160.7 -110.05 0.26 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.438 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . 0.505 ' HB2' HG22 ' A' 1015 ' ' THR . 1.5 t-80 -137.52 141.71 41.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 34.3 t -87.17 28.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.957 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1001 ' ' SER . . . . . 0.444 ' HG ' ' HD1' ' A' ' 999' ' ' HIS . 80.9 p -168.61 169.9 9.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.62 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -163.35 155.4 17.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.67 133.94 45.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.989 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1004 ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 52.5 t -64.24 96.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.827 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 33.9 pt -99.73 -178.41 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.413 -176.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.427 ' HG ' ' HE2' ' A' 1012 ' ' HIS . 7.2 mt 54.03 -171.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.388 -175.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 58.4 m -172.87 -178.71 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.787 -170.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 63.34 -126.08 35.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.681 176.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -74.17 -6.28 46.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.916 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1010 ' ' THR . . . . . 0.483 HG22 ' H ' ' A' 1011 ' ' ALA . 3.9 m -125.24 162.4 24.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.483 ' H ' HG22 ' A' 1010 ' ' THR . . . 173.5 118.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.69 -170.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1012 ' ' HIS . . . . . 0.427 ' HE2' ' HG ' ' A' 1006 ' ' LEU . 3.2 p80 -167.38 171.7 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.855 -175.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.62 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 80.9 m95 -92.03 145.27 24.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.778 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 52.2 m -52.85 -70.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -173.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1015 ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 999' ' ' HIS . 79.0 p -82.0 138.97 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -57.56 155.64 19.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.917 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.07 107.43 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.74 2.293 . . . . 0.0 112.47 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.69 156.64 26.56 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.65 2.234 . . . . 0.0 112.42 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.615 ' HB ' HD12 ' A' ' 997' ' ' ILE . 10.4 mt -127.57 162.86 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.671 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.449 ' N ' HG21 ' A' 1019 ' ' ILE . 70.0 m -107.6 107.86 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -68.83 -24.08 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.988 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.533 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 57.3 ttp180 63.86 115.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1023 ' ' ILE . . . . . 0.658 ' HB ' ' HD3' ' A' 1024 ' ' PRO . 64.1 mt -95.18 -51.65 0.24 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.533 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1024 ' ' PRO . . . . . 0.658 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 48.9 Cg_exo . . . . . 0 C--O 1.248 1.024 0 C-N-CA 122.325 2.016 . . . . 0.0 112.315 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -123.66 44.45 2.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -136.44 134.14 37.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -141.27 119.89 12.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.765 ' HD2' ' HB ' ' A' ' 982' ' ' VAL . 5.0 tppp? 55.71 72.97 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 62.5 m -159.03 108.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 1.7 p -81.58 152.98 26.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -166.33 78.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.365 -175.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 965' ' ' THR . . . . . 0.729 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 91.0 m -112.67 -55.14 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.009 -170.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.729 ' HD2' ' H ' ' A' ' 965' ' ' THR . 22.2 Cg_endo -61.11 106.99 0.42 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.674 2.249 . . . . 0.0 112.533 -171.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 965' ' ' THR . 73.0 Cg_endo -89.82 55.7 1.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.944 2.43 . . . . 0.0 112.235 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 8.8 t70 55.34 94.82 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.41 144.46 18.11 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.815 2.343 . . . . 0.0 112.598 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.41 128.78 18.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.022 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.4 ' O ' HG22 ' A' ' 991' ' ' THR . 78.2 m-20 52.81 78.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.722 -176.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 140.41 -159.13 26.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.524 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.6 ptm -164.05 148.75 10.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 0.0 111.026 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.1 p -95.8 145.72 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.016 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -117.94 123.17 45.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.001 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' A' ' 986' ' ' ILE . 9.4 p -89.74 139.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 178.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 49.6 mm -57.61 -73.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.131 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 60.8 m -140.74 -41.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -139.18 176.35 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.651 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 30.6 mt -125.0 68.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.018 0.437 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -125.3 -177.76 3.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.762 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . 0.765 ' HB ' ' HD2' ' A' ' 961' ' ' LYS . 7.1 p -58.72 140.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.088 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 90.71 -17.69 53.61 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 50.2 m -73.12 151.64 41.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.741 0.305 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -138.67 88.9 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.423 HG22 ' HA ' ' A' ' 976' ' ' VAL . 34.9 pt -77.57 171.36 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 73.4 p -132.4 140.24 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.323 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -101.94 143.33 31.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.687 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 51.6 m -119.6 -36.98 3.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.351 -174.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 42.7 t 62.24 163.92 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.539 HG21 ' ND1' ' A' ' 994' ' ' HIS . 4.4 t -58.12 144.32 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.054 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 5.7 t -56.11 137.46 51.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.274 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 89.51 15.21 58.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.391 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.539 ' ND1' HG21 ' A' ' 991' ' ' THR . 51.8 m80 -136.66 118.67 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 111.0 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -94.69 114.15 26.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.701 176.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.475 HD11 ' O ' ' A' ' 996' ' ' LEU . 3.0 pp -57.51 154.45 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -176.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 40.5 mm -127.95 90.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.054 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . 0.539 ' HA3' ' HD3' ' A' 1016 ' ' LYS . . . 137.88 -46.1 1.02 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.89 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . 0.505 ' CD2' ' HA ' ' A' 1018 ' ' PRO . 3.8 m-70 -68.6 -77.81 0.07 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -172.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1000 ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' 1001 ' ' SER . 96.3 p 51.08 54.61 10.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.429 -174.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1001 ' ' SER . . . . . 0.403 ' HB3' ' O ' ' A' 1000 ' ' SER . 43.7 t 67.52 158.34 0.14 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.987 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.402 ' HB3' HG23 ' A' 1015 ' ' THR . . . -142.24 -179.16 6.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.264 -175.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -139.96 122.4 16.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.741 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.6 t -60.26 99.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 40.3 pt -122.18 132.82 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.57 ' HG ' ' HB1' ' A' 1011 ' ' ALA . 4.5 mp -84.07 143.47 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.2 p -140.3 23.07 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 162.17 -124.06 1.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 58.1 t30 -92.39 -5.25 52.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.786 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 58.2 m -142.02 141.84 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.57 ' HB1' ' HG ' ' A' 1006 ' ' LEU . . . -87.88 131.52 34.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -124.47 159.39 30.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.489 ' CD1' ' HB ' ' A' ' 965' ' ' THR . 62.5 m95 -88.83 155.05 19.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.6 m -82.2 37.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.291 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1015 ' ' THR . . . . . 0.402 HG23 ' HB3' ' A' 1002 ' ' ALA . 43.2 p -138.81 128.79 25.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.917 0.389 . . . . 0.0 111.412 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.58 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.0 OUTLIER -61.38 165.73 6.47 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.733 175.8 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1017 ' ' PRO . . . . . 0.58 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 70.6 Cg_exo -38.97 134.96 0.89 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.774 2.316 . . . . 0.0 112.757 178.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.505 ' HA ' ' CD2' ' A' ' 999' ' ' HIS . 31.9 Cg_exo -59.88 142.06 97.84 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.776 2.317 . . . . 0.0 112.792 -171.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.478 HG23 ' N ' ' A' 1020 ' ' CYS . 12.0 mt -135.8 163.71 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.571 173.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 94.6 m -146.45 133.54 20.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.951 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -113.03 121.8 45.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -60.6 127.41 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 63.6 mt -88.25 112.81 52.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.499 2.133 . . . . 0.0 112.318 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -144.56 -63.9 0.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -156.43 96.7 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -152.2 23.96 0.64 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.072 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . 0.635 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 22.0 pttp -98.88 137.16 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.025 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 80.0 p -171.68 27.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . 0.581 ' HB2' HG23 ' A' ' 980' ' ' ILE . 55.5 m -94.92 133.57 38.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.841 -178.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -84.1 99.54 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.07 149.49 45.4 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.659 -176.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.58 ' HG2' HG13 ' A' ' 974' ' ' VAL . 72.5 Cg_endo -75.45 142.72 26.86 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.976 2.451 . . . . 0.0 112.363 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.93 145.22 35.63 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.583 2.189 . . . . 0.0 112.276 177.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.31 119.17 70.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . 0.508 ' HG3' ' HE1' ' A' ' 988' ' ' TYR . 71.6 Cg_endo -76.85 -166.25 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.597 2.198 . . . . 0.0 112.453 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 11.5 p -72.27 136.7 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.439 ' HB3' ' CG2' ' A' ' 991' ' ' THR . 65.9 m-20 54.12 20.69 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.081 177.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -135.72 158.44 23.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.749 -174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.8 ptm -155.47 128.67 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.71 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . 0.58 HG13 ' HG2' ' A' ' 966' ' ' PRO . 9.9 m -71.76 175.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.373 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . 0.501 ' HB3' ' OG1' ' A' ' 987' ' ' THR . 29.1 t60 -147.68 92.77 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.816 -178.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . 0.6 ' HA ' HG21 ' A' ' 986' ' ' ILE . 7.7 m -72.05 135.29 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 50.7 mm -51.45 -71.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.069 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 59.4 m -146.49 -33.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.71 -179.54 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.689 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.581 HG23 ' HB2' ' A' ' 963' ' ' CYS . 26.6 mt -119.77 63.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.05 0.452 . . . . 0.0 110.787 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . 0.635 ' HA ' ' HA ' ' A' ' 961' ' ' LYS . 4.0 pt20 -117.82 151.3 37.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.853 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 6.0 p -59.14 128.05 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 116.56 -20.04 12.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.428 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 81.1 p -82.07 -179.46 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 0.0 110.807 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -147.93 86.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.992 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.6 HG21 ' HA ' ' A' ' 976' ' ' VAL . 44.6 pt -70.65 172.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 176.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 987' ' ' THR . . . . . 0.501 ' OG1' ' HB3' ' A' ' 975' ' ' HIS . 82.4 p -123.72 172.23 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 111.273 -177.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.508 ' HE1' ' HG3' ' A' ' 969' ' ' PRO . 0.7 OUTLIER -140.11 92.99 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.644 -175.637 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 79.0 p -114.29 130.39 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.2 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 77.1 m -88.51 -169.89 2.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.667 173.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.483 HG23 ' ND1' ' A' ' 994' ' ' HIS . 3.3 t -72.77 149.8 43.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 62.1 m -58.95 106.82 0.45 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . 125.51 6.65 6.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.438 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.483 ' ND1' HG23 ' A' ' 991' ' ' THR . 32.4 m80 -133.75 108.24 8.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 110.813 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.534 ' NH1' HG13 ' A' ' 997' ' ' ILE . 0.0 OUTLIER -77.86 146.0 35.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.008 -178.253 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.742 HD11 ' HA ' ' A' 1000 ' ' SER . 2.3 mt -79.53 141.46 36.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.089 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.831 HD11 ' HB ' ' A' 1019 ' ' ILE . 3.6 mp -105.42 63.7 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.532 171.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -165.28 -118.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.677 -176.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -111.01 -20.34 12.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.727 0.299 . . . . 0.0 111.328 -173.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1000 ' ' SER . . . . . 0.742 ' HA ' HD11 ' A' ' 996' ' ' LEU . 34.9 t 59.69 19.24 7.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 35.5 t -173.33 178.39 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.435 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -157.04 151.68 25.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.882 0.372 . . . . 0.0 111.466 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -145.5 115.9 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 44.6 t -64.27 105.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -174.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 27.8 pt -100.39 -171.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.296 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.584 HD12 ' HD2' ' A' 1012 ' ' HIS . 30.5 mt 57.0 -173.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.108 -176.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 74.9 m -169.81 175.13 5.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.016 -170.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 59.99 -124.96 37.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.554 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.87 -21.06 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.41 . . . . 0.0 110.836 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.5 153.51 19.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.261 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . 179.99 101.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.562 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1012 ' ' HIS . . . . . 0.584 ' HD2' HD12 ' A' 1006 ' ' LEU . 50.2 m-70 -138.46 168.0 20.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.996 -170.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1013 ' ' TRP . . . . . . . . . . . . . 82.8 m95 -105.44 130.65 53.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.663 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 51.2 m -60.63 -16.27 36.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.46 -170.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 8.1 t -84.95 141.72 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 0.0 111.461 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1016 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 151.51 55.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.42 172.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.09 104.07 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.619 2.213 . . . . 0.0 112.042 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.467 ' O ' HD13 ' A' 1019 ' ' ILE . 84.8 Cg_endo -82.25 178.6 6.16 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.679 2.253 . . . . 0.0 112.493 -173.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.831 ' HB ' HD11 ' A' ' 997' ' ' ILE . 12.5 mm -125.29 163.0 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.455 ' N ' HG22 ' A' 1019 ' ' ILE . 37.3 m -114.06 78.77 1.18 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.727 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -96.95 136.28 37.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 993' ' ' GLY . 58.3 ttp180 -60.62 132.24 53.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1023 ' ' ILE . . . . . 0.452 HG12 ' HB3' ' A' ' 995' ' ' ARG . 63.0 mt -62.7 125.98 87.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 -178.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.25 1.083 0 C-N-CA 122.538 2.159 . . . . 0.0 112.297 179.619 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.696 0.284 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 62.77 -83.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.364 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -102.44 126.47 49.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.001 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -90.03 146.53 24.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 65.18 139.61 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.086 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 36.2 t -142.39 -19.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 86.6 m -95.79 127.03 41.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.94 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -75.22 128.87 36.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 965' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 966' ' ' PRO . 58.3 p -53.83 135.85 55.92 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.03 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.435 ' HG3' ' CD1' ' A' 1013 ' ' TRP . 15.7 Cg_exo -68.03 135.85 36.16 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.649 2.233 . . . . 0.0 112.225 -174.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.84 123.99 10.98 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.546 2.164 . . . . 0.0 112.148 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 973' ' ' MET . 9.3 m-20 -63.56 111.12 4.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -177.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . 0.524 ' HD3' ' HH ' ' A' ' 988' ' ' TYR . 16.9 Cg_exo -67.37 -168.81 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.63 2.22 . . . . 0.0 112.167 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.92 127.35 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.054 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.445 ' O ' HG23 ' A' ' 991' ' ' THR . 79.1 m-20 50.14 49.02 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.17 163.99 28.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.597 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 973' ' ' MET . . . . . 0.46 ' HA ' ' OD1' ' A' ' 968' ' ' ASP . 0.0 OUTLIER -163.99 140.74 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.994 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . 0.435 HG22 HD13 ' A' ' 986' ' ' ILE . 9.8 p -95.82 147.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -79.14 -47.28 16.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.249 -173.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 73.3 t 54.51 97.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.037 0.446 . . . . 0.0 111.003 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.478 HG22 ' HG1' ' A' ' 978' ' ' THR . 58.4 mt -58.16 -68.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.382 -175.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 978' ' ' THR . . . . . 0.478 ' HG1' HG22 ' A' ' 977' ' ' ILE . 62.8 m -156.54 -67.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.304 -177.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . 0.436 ' HB3' ' HG2' ' A' ' 981' ' ' GLN . 9.7 m-20 -101.6 131.78 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.997 -175.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.425 ' O ' HG21 ' A' ' 980' ' ' ILE . 18.3 mt -87.5 2.0 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.68 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . 0.436 ' HG2' ' HB3' ' A' ' 979' ' ' ASP . 11.6 pt20 -57.73 147.47 27.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.939 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . 0.426 ' HA ' ' HB3' ' A' 1004 ' ' CYS . 7.7 p -59.42 134.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 115.93 -10.48 18.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.422 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 46.8 t -91.71 166.84 12.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -140.24 91.05 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.435 HD13 HG22 ' A' ' 974' ' ' VAL . 34.1 pt -78.61 169.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 67.5 p -117.95 154.07 32.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.524 ' HH ' ' HD3' ' A' ' 969' ' ' PRO . 1.0 OUTLIER -129.48 138.16 51.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.769 -174.632 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 989' ' ' SER . . . . . 0.65 ' HA ' HD11 ' A' ' 996' ' ' LEU . 89.9 p -159.87 152.6 21.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.174 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . 0.466 ' SG ' ' HG ' ' A' ' 996' ' ' LEU . 71.1 m -94.4 -169.46 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.738 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 971' ' ' ASN . 20.4 p -62.69 176.24 0.7 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.386 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 75.7 m -63.92 116.6 5.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . 90.93 23.26 30.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.413 ' O ' ' HB2' ' A' ' 990' ' ' CYS . 56.0 m80 -137.02 116.85 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.829 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . 0.693 ' HB2' HD11 ' A' 1023 ' ' ILE . 96.4 mtt180 -112.5 135.3 53.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.035 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.65 HD11 ' HA ' ' A' ' 989' ' ' SER . 2.3 mp -70.42 149.27 47.43 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.932 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 20.8 mm -96.66 55.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.521 172.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -154.03 -119.76 0.74 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.704 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -107.24 -32.5 7.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.619 0.247 . . . . 0.0 111.261 -173.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1000 ' ' SER . . . . . 0.45 ' HA ' ' HB3' ' A' ' 988' ' ' TYR . 90.6 p 49.1 29.42 2.49 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.031 -175.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 70.3 m -164.29 118.97 1.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.694 ' HB2' ' HB3' ' A' 1013 ' ' TRP . . . -109.99 148.05 32.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.382 -174.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -141.29 120.83 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.713 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1004 ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 44.2 t -62.14 113.99 3.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.1 pt -136.77 153.87 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.354 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.44 HD23 ' HB1' ' A' 1011 ' ' ALA . 60.6 mt -95.5 135.73 36.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.6 p -115.36 -41.29 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -150.59 -71.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.561 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -140.0 2.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 72.4 m -144.8 104.83 4.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.44 ' HB1' HD23 ' A' 1006 ' ' LEU . . . -60.45 137.76 58.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.9 p80 -147.07 173.74 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.798 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.694 ' HB3' ' HB2' ' A' 1002 ' ' ALA . 64.8 m95 -86.91 145.62 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.8 m -66.35 -5.21 9.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 62.4 p -86.41 103.73 15.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.431 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.429 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.0 OUTLIER -61.88 160.48 28.31 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 171.426 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1017 ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 5.6 Cg_endo -47.85 102.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.859 2.373 . . . . 0.0 112.218 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.586 ' HB2' HD23 ' A' ' 996' ' ' LEU . 97.2 Cg_endo -85.12 169.43 10.07 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.759 2.306 . . . . 0.0 112.703 -172.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' 1020 ' ' CYS . 10.5 mt -129.59 163.29 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.58 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.462 ' N ' HG22 ' A' 1019 ' ' ILE . 72.4 m -115.66 119.28 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.836 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.22 112.02 17.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 993' ' ' GLY . 38.9 ttm180 -55.7 134.27 51.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 177.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1023 ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 995' ' ' ARG . 21.9 mm -87.71 -50.7 0.42 Allowed Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.601 -174.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1024 ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' 1023 ' ' ILE . 55.7 Cg_endo . . . . . 0 C--O 1.25 1.123 0 C-N-CA 122.135 1.89 . . . . 0.0 112.277 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -79.78 137.69 37.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -89.46 90.43 8.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -154.67 -0.36 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -73.71 161.18 30.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.733 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 43.5 t 62.11 98.55 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 35.2 m -87.39 155.69 19.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.869 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -166.07 110.07 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 965' ' ' THR . . . . . 0.671 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 96.0 m -160.41 -55.98 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.988 -172.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.671 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 33.3 Cg_exo -61.04 122.53 11.33 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.548 2.166 . . . . 0.0 112.522 -169.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.75 176.73 1.19 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.613 2.209 . . . . 0.0 112.008 173.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . 0.7 ' HA ' HG13 ' A' ' 974' ' ' VAL . 4.4 p-10 -106.99 100.49 32.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.131 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . 0.737 ' HD2' ' HB ' ' A' ' 974' ' ' VAL . 66.1 Cg_exo -51.24 145.06 27.99 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.31 141.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.245 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 57.18 58.37 3.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 990' ' ' CYS . . . 163.99 153.55 7.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.762 177.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.1 ptp -83.93 159.02 21.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.73 0.3 . . . . 0.0 110.792 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . 0.737 ' HB ' ' HD2' ' A' ' 969' ' ' PRO . 7.4 p -139.64 146.91 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.464 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . 0.723 ' HD2' HG21 ' A' ' 976' ' ' VAL . 5.5 p-80 40.82 -163.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.311 177.011 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . 0.723 HG21 ' HD2' ' A' ' 975' ' ' HIS . 71.0 t 44.49 85.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.227 -169.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 44.4 mm -95.85 -41.92 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.713 171.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 978' ' ' THR . . . . . 0.489 HG22 ' OD2' ' A' ' 979' ' ' ASP . 50.4 m -155.66 -43.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.677 175.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . 0.489 ' OD2' HG22 ' A' ' 978' ' ' THR . 10.7 m-20 -153.3 122.62 6.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.444 HG21 HG22 ' A' ' 986' ' ' ILE . 15.9 pt -105.32 41.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . 0.476 ' OE1' ' HB3' ' A' ' 979' ' ' ASP . 23.8 mp0 -89.94 -174.91 4.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.668 174.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.72 139.78 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.055 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 85.65 5.49 84.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.587 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 49.3 m -92.96 170.08 9.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.726 0.298 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -147.13 96.83 2.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.458 HD11 ' N ' ' A' ' 987' ' ' THR . 2.7 pp -89.99 -168.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.069 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 987' ' ' THR . . . . . 0.458 ' N ' HD11 ' A' ' 986' ' ' ILE . 33.6 p -151.04 151.88 32.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.267 -173.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.495 ' HH ' ' HB3' ' A' ' 966' ' ' PRO . 77.1 m-85 -102.06 116.53 32.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.662 175.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 56.8 m -90.3 -70.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 -174.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . 0.526 ' HA ' ' HA3' ' A' ' 972' ' ' GLY . 18.7 t 62.77 156.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 2.0 t -62.8 141.41 58.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.244 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 59.5 m -55.17 130.6 42.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.241 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 113.65 -37.14 3.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.332 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.535 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 0.4 OUTLIER -77.57 104.31 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.851 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -76.12 125.61 29.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.498 ' HA ' ' O ' ' A' 1019 ' ' ILE . 73.0 mt -72.71 134.5 45.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.895 HD11 ' HB2' ' A' 1021 ' ' GLN . 4.0 mp -98.78 71.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 172.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . 0.492 ' HA3' ' HB3' ' A' 1018 ' ' PRO . . . -170.05 -108.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.495 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . 0.459 ' HD2' ' HB3' ' A' 1001 ' ' SER . 59.2 t60 -141.38 -13.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.776 -177.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 37.5 t 62.68 19.15 11.16 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.971 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1001 ' ' SER . . . . . 0.459 ' HB3' ' HD2' ' A' ' 999' ' ' HIS . 46.8 t -171.83 164.83 6.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.79 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.512 ' HB3' ' HB3' ' A' 1013 ' ' TRP . . . -158.92 163.04 36.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.298 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -135.22 119.19 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.602 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1004 ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' 1011 ' ' ALA . 47.2 t -73.82 101.04 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.99 -174.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.6 pt -116.71 148.29 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.136 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.5 HD11 ' N ' ' A' 1006 ' ' LEU . 5.4 mp -70.86 100.28 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 79.0 p -73.43 -19.79 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 178.2 -98.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.49 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 13.7 m120 -101.11 6.97 43.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 39.2 m -152.69 144.73 23.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.481 ' HB3' ' SG ' ' A' 1004 ' ' CYS . . . -78.51 113.84 16.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 -178.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -128.89 141.82 51.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.512 ' HB3' ' HB3' ' A' 1002 ' ' ALA . 67.1 m95 -67.07 151.82 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.984 -177.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.7 m -68.34 -62.28 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 63.3 p -64.47 178.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.38 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.747 ' HD2' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -109.04 144.33 29.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.689 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.77 109.39 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.612 2.208 . . . . 0.0 112.469 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.492 ' HB3' ' HA3' ' A' ' 998' ' ' GLY . 63.8 Cg_endo -73.27 178.74 6.21 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.608 2.205 . . . . 0.0 112.244 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.822 HG21 HD12 ' A' ' 997' ' ' ILE . 5.3 tp -144.44 160.19 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 111.368 -177.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.621 ' N ' HG13 ' A' 1019 ' ' ILE . 83.2 m -94.92 103.98 15.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.748 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1021 ' ' GLN . . . . . 0.895 ' HB2' HD11 ' A' ' 997' ' ' ILE . 9.7 tt0 -64.96 -41.39 95.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 -176.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 62.07 113.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.042 -175.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1023 ' ' ILE . . . . . 0.431 HD13 ' O ' ' A' 1023 ' ' ILE . 1.3 pp -94.27 152.45 40.24 Favored Pre-proline 0 N--CA 1.454 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.237 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 122.566 2.177 . . . . 0.0 112.295 179.487 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.724 0.297 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 61.73 174.19 0.12 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.266 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 959' ' ' GLU . . . . . 0.41 ' OE1' ' HA3' ' A' ' 983' ' ' GLY . 13.9 mm-40 -117.18 88.03 2.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -157.09 -175.2 5.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 87.8 tttt 65.07 153.75 0.06 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.029 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 57.0 m -108.14 128.1 54.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 963' ' ' CYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 980' ' ' ILE . 60.8 m -94.18 134.65 36.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -59.35 110.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 30.1 p -68.68 145.38 96.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.112 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 966' ' ' PRO . . . . . 0.434 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 74.5 Cg_endo -77.09 138.87 18.6 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.647 2.231 . . . . 0.0 112.567 -175.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.89 156.08 52.84 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.59 2.193 . . . . 0.0 112.167 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -58.03 111.54 3.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.045 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.91 153.08 59.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.613 2.209 . . . . 0.0 112.322 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.05 129.31 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 971' ' ' ASN . . . . . 0.485 ' O ' HG23 ' A' ' 991' ' ' THR . 82.8 m-20 53.83 28.09 7.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -177.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -144.07 -172.67 14.93 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.0 ptp -166.62 130.9 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.954 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 974' ' ' VAL . . . . . 0.46 HG21 HD13 ' A' ' 986' ' ' ILE . 8.6 p -85.08 143.69 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.925 177.519 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -88.1 -41.49 13.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.238 -172.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 87.5 t 49.89 88.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.973 0.416 . . . . 0.0 110.948 -175.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 977' ' ' ILE . . . . . 0.716 HG21 HG21 ' A' ' 978' ' ' THR . 3.2 mp -67.61 -71.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.221 -173.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 978' ' ' THR . . . . . 0.716 HG21 HG21 ' A' ' 977' ' ' ILE . 71.9 p -107.21 -58.25 1.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.315 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -144.06 -168.43 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.6 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 980' ' ' ILE . . . . . 0.484 ' O ' ' HB2' ' A' ' 963' ' ' CYS . 1.5 pp -144.33 31.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -177.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -115.88 -166.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.681 176.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.91 130.97 25.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 983' ' ' GLY . . . . . 0.41 ' HA3' ' OE1' ' A' ' 959' ' ' GLU . . . 92.24 -8.76 77.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 60.3 p -105.45 124.57 49.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.339 . . . . 0.0 110.987 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -106.18 124.84 50.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 986' ' ' ILE . . . . . 0.49 ' HA ' HD12 ' A' ' 977' ' ' ILE . 35.4 pt -110.67 173.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 175.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 68.2 p -131.11 143.02 50.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.35 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 988' ' ' TYR . . . . . 0.434 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 64.2 m-85 -109.81 150.13 28.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.735 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 55.3 m -151.42 130.35 12.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 990' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' 1020 ' ' CYS . 44.3 t -110.79 172.12 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 178.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 991' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 971' ' ' ASN . 10.7 p -58.49 150.14 23.45 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.267 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 6.3 t -64.57 139.11 58.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.305 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 91.29 17.92 48.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.33 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 994' ' ' HIS . . . . . 0.412 ' CD2' ' HA ' ' A' 1022 ' ' ARG . 14.2 m80 -130.4 140.24 50.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 110.764 -177.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -91.71 110.0 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 996' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 997' ' ' ILE . 2.1 tm? -66.38 130.28 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 997' ' ' ILE . . . . . 0.553 HG22 ' HB2' ' A' 1018 ' ' PRO . 77.6 mt -98.75 126.11 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.761 174.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . 0.71 ' HA2' ' HD3' ' A' 1016 ' ' LYS . . . 132.05 -103.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.34 -172.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -165.58 17.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 110.995 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 36.5 t 56.21 15.47 1.9 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.176 -178.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 45.6 t -171.76 160.12 5.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1002 ' ' ALA . . . . . 0.775 ' HB2' HG21 ' A' 1015 ' ' THR . . . -148.92 146.26 27.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 111.565 -176.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -136.07 119.98 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.295 170.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 36.0 t -53.64 98.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1005 ' ' ILE . . . . . 0.563 HD11 ' HG ' ' A' 1006 ' ' LEU . 1.7 pp -89.18 -170.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.718 -174.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1006 ' ' LEU . . . . . 0.563 ' HG ' HD11 ' A' 1005 ' ' ILE . 28.7 mt 61.79 -82.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.021 -172.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 38.6 m 56.68 26.32 11.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 111.04 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -122.46 -97.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.193 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 7.6 p30 -78.41 -7.32 57.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.403 . . . . 0.0 110.55 173.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1010 ' ' THR . . . . . 0.755 HG23 ' H ' ' A' 1011 ' ' ALA . 0.6 OUTLIER -152.93 -172.99 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.492 177.7 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1011 ' ' ALA . . . . . 0.755 ' H ' HG23 ' A' 1010 ' ' THR . . . -176.44 117.77 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.088 -174.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 9.4 p80 -163.58 174.63 11.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1013 ' ' TRP . . . . . 0.496 ' HB3' ' HB3' ' A' 1002 ' ' ALA . 87.2 m95 -90.58 152.17 21.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 82.6 p -81.25 -3.76 53.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.312 -172.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1015 ' ' THR . . . . . 0.775 HG21 ' HB2' ' A' 1002 ' ' ALA . 21.0 p -79.66 151.74 30.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.238 178.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1016 ' ' LYS . . . . . 0.74 ' HB3' ' HD2' ' A' 1018 ' ' PRO . 13.0 mptt -92.38 141.15 24.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1017 ' ' PRO . . . . . 0.438 ' HB2' ' HD3' ' A' 1018 ' ' PRO . 75.8 Cg_exo -47.07 -45.84 20.41 Favored 'Trans proline' 0 CA--C 1.535 0.536 0 C-N-CA 122.672 2.248 . . . . 0.0 113.196 175.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1018 ' ' PRO . . . . . 0.74 ' HD2' ' HB3' ' A' 1016 ' ' LYS . 95.6 Cg_exo -43.13 -47.7 8.42 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.356 2.037 . . . . 0.0 112.845 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1019 ' ' ILE . . . . . 0.795 HG13 ' H ' ' A' 1020 ' ' CYS . 6.3 tp 46.28 -161.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.25 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1020 ' ' CYS . . . . . 0.795 ' H ' HG13 ' A' 1019 ' ' ILE . 52.9 t -35.36 125.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.269 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -92.66 -35.53 13.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -170.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1022 ' ' ARG . . . . . 0.463 ' HD3' ' ND2' ' A' ' 971' ' ' ASN . 55.7 ttp180 63.0 113.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 7.3 pt -101.1 144.71 29.1 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo . . . . . 0 C--O 1.25 1.102 0 C-N-CA 122.559 2.173 . . . . 0.0 112.321 179.01 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.747 0.308 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 89.0 m -95.87 126.8 41.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.056 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -74.44 130.85 40.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 70.8 p -60.79 134.49 92.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.161 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.465 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 60.5 Cg_endo -72.52 148.9 48.81 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.76 146.49 78.71 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.59 2.194 . . . . 0.0 112.2 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.08 115.25 11.33 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.37 155.83 23.76 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.36 131.51 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.5 ' O ' HG23 ' A' ' 991' ' ' THR . 78.0 m-20 53.5 30.5 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.971 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -151.56 -170.88 18.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 25.1 ptm -161.52 141.91 10.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.68 144.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -122.29 131.02 53.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.43 130.95 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.737 HG12 ' HA ' ' A' ' 986' ' ' ILE . 51.0 mm -76.12 -47.93 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.195 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 978' ' ' THR . . . . . 0.539 HG23 HG22 ' A' ' 977' ' ' ILE . 47.9 p -142.53 -63.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.263 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -148.62 171.22 16.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.756 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 8.3 mt -96.99 32.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.751 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -85.5 144.44 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.878 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 982' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' 1004 ' ' CYS . 7.0 p -58.04 133.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 105.51 -7.11 42.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.465 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 52.2 m -86.67 178.18 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -148.83 91.08 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.972 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.737 ' HA ' HG12 ' A' ' 977' ' ' ILE . 39.8 pt -76.96 179.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 987' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 988' ' ' TYR . 4.1 m -136.88 164.06 29.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.025 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.482 ' HE1' ' HB2' ' A' 1002 ' ' ALA . 87.3 m-85 -123.13 157.1 33.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.785 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 30.6 t -141.47 173.66 11.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.016 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 35.8 t -159.07 171.77 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.56 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 971' ' ' ASN . 14.0 p -56.56 146.78 23.98 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.191 178.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 63.7 m -60.99 118.0 6.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 116.7 -9.69 16.46 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.569 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 3.4 m80 -107.22 120.06 41.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.681 0.277 . . . . 0.0 110.828 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -82.51 139.98 33.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.786 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' 1018 ' ' PRO . 1.2 tm? -71.35 113.64 8.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 29.5 mm -82.72 70.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.772 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -178.57 -120.73 0.67 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.557 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -122.44 -11.1 8.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 111.049 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 49.2 m 60.0 25.95 15.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.681 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 94.2 p -163.39 172.18 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.785 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.482 ' HB2' ' HE1' ' A' ' 988' ' ' TYR . . . -152.07 160.94 43.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -145.25 113.34 6.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1004 ' ' CYS . . . . . 0.406 ' O ' HG23 ' A' ' 982' ' ' VAL . 52.8 t -63.32 99.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 40.1 pt -124.17 139.84 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.573 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.3 mp -85.95 125.16 33.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.803 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 81.2 p -93.92 18.08 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 131.54 -89.43 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.445 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -111.71 8.57 20.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.808 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 61.9 m -148.11 119.73 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.049 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.573 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -91.25 132.53 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.197 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.2 p80 -147.23 173.25 12.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.464 ' NE1' ' HD3' ' A' ' 966' ' ' PRO . 67.6 m95 -85.15 133.86 34.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.773 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.8 t -65.89 -17.06 64.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.333 -172.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 9.2 t -91.58 138.12 31.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 111.352 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.648 ' HD3' ' H ' ' A' 1016 ' ' LYS . 0.3 OUTLIER -75.51 157.61 84.24 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.612 174.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1017 ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.0 Cg_endo -50.61 107.4 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.746 2.297 . . . . 0.0 112.293 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.432 ' HB3' HD21 ' A' ' 996' ' ' LEU . 35.2 Cg_exo -58.3 150.33 67.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.696 2.264 . . . . 0.0 112.517 -175.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' 1020 ' ' CYS . 11.5 mm -123.69 165.11 20.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.703 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.569 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 69.7 m -124.03 116.4 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.657 177.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -83.78 -17.08 42.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.299 -170.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 63.16 114.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.975 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 59.9 mt -115.22 126.66 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.037 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.574 2.183 . . . . 0.0 112.347 179.528 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.931 0.395 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 92.0 m -61.32 164.95 4.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.956 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 964' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 964' ' ' LYS . 13.6 mptt -72.64 -168.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.419 172.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 965' ' ' THR . . . . . 0.522 HG22 HD13 ' A' ' 980' ' ' ILE . 43.0 p -114.54 133.82 22.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.106 178.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.8 147.78 94.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.741 2.294 . . . . 0.0 112.215 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.23 137.31 47.23 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.646 2.23 . . . . 0.0 112.143 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.96 113.77 7.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.43 144.3 84.08 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.632 2.221 . . . . 0.0 112.241 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.424 HG22 ' OD1' ' A' ' 971' ' ' ASN . 8.0 p -63.21 136.15 26.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 178.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.424 ' OD1' HG22 ' A' ' 970' ' ' VAL . 2.6 m-20 53.55 22.44 2.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.6 -162.78 10.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.549 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -165.78 148.46 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.848 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.4 142.57 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -107.4 112.32 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.139 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 27.0 t -83.83 94.28 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.565 172.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 987' ' ' THR . 61.8 mt -60.25 -70.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.534 -173.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 978' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 979' ' ' ASP . 0.1 OUTLIER -112.65 -91.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.441 -176.509 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 979' ' ' ASP . . . . . 0.684 ' H ' HG23 ' A' ' 978' ' ' THR . 11.1 m-20 -122.36 -179.39 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.833 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.522 HD13 HG22 ' A' ' 965' ' ' THR . 28.0 mt -120.29 65.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -120.51 178.86 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.809 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.27 136.35 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.042 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 95.76 -27.74 15.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.608 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 41.2 t -67.93 157.33 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.464 ' O ' HD12 ' A' ' 977' ' ' ILE . 61.2 ttp180 -139.24 111.11 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.003 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 43.8 pt -92.1 172.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 987' ' ' THR . . . . . 0.5 HG23 HD11 ' A' ' 977' ' ' ILE . 66.6 p -128.58 142.9 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.25 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -99.75 170.01 8.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 94.8 p -161.54 164.57 29.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 15.8 t -149.99 172.03 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 1.8 t -54.78 140.52 35.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 3.7 t -55.84 125.63 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.33 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 120.4 -62.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.419 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.551 ' HA ' HG12 ' A' 1023 ' ' ILE . 0.5 OUTLIER -56.85 136.8 55.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 110.973 -177.632 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.719 ' HG2' HD11 ' A' 1023 ' ' ILE . 28.8 mmm180 -84.1 138.1 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.958 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' 1018 ' ' PRO . 1.9 tm? -78.09 121.47 24.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.61 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' 1021 ' ' GLN . 34.6 mm -88.74 81.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 164.92 -114.09 0.58 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.431 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -150.17 9.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.805 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 94.7 p 48.7 29.18 2.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.294 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 47.9 t -164.78 161.6 20.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.776 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -156.68 159.09 38.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -135.25 129.63 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 53.0 t -69.27 104.1 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 39.5 pt -134.21 151.86 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.249 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 56.6 mt -88.44 99.83 12.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 56.0 m -104.17 14.17 30.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -178.51 -132.14 1.68 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 55.9 t30 -91.79 -7.51 49.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.377 . . . . 0.0 110.87 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 46.3 m -140.86 140.83 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.055 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.74 115.42 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -129.29 172.84 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.776 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 69.4 m95 -82.72 143.65 30.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.802 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.8 t -55.58 -68.98 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 67.7 p -63.69 139.65 58.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.44 -175.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.539 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -63.67 156.34 72.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.728 176.19 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -48.21 108.24 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.546 ' HB3' HD11 ' A' ' 996' ' ' LEU . 33.8 Cg_exo -58.45 151.1 63.81 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.673 2.248 . . . . 0.0 112.434 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' 1020 ' ' CYS . 12.9 mm -121.58 164.24 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.645 177.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.478 ' N ' HG22 ' A' 1019 ' ' ILE . 84.7 m -109.2 92.65 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.037 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1021 ' ' GLN . . . . . 0.606 ' HB2' HD11 ' A' ' 997' ' ' ILE . 57.9 tp60 -66.58 99.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -56.89 139.92 50.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1023 ' ' ILE . . . . . 0.719 HD11 ' HG2' ' A' ' 995' ' ' ARG . 29.9 mm -108.08 -51.6 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.618 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1024 ' ' PRO . . . . . 0.67 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 38.2 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 122.244 1.963 . . . . 0.0 112.266 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.515 0.198 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 963' ' ' CYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 980' ' ' ILE . 72.8 m -91.69 130.33 37.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.057 0.456 . . . . 0.0 111.265 -173.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -158.02 71.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.184 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 965' ' ' THR . . . . . 0.672 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 99.3 m -122.04 -56.77 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.263 -166.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.672 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 77.5 Cg_exo -51.98 106.96 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.722 2.282 . . . . 0.0 112.925 -167.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -84.83 -162.6 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.782 2.321 . . . . 0.0 112.133 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.06 113.74 38.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.719 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.1 152.78 76.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.514 2.143 . . . . 0.0 112.327 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.4 129.63 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 46.15 66.52 0.93 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 162.28 -160.57 32.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.563 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 973' ' ' MET . . . . . 0.404 ' HG3' ' NE2' ' A' ' 975' ' ' HIS . 22.7 ptp -153.67 141.14 19.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.4 p -82.74 140.84 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 975' ' ' HIS . . . . . 0.404 ' NE2' ' HG3' ' A' ' 973' ' ' MET . 77.6 m-70 -117.67 103.8 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -175.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 976' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 976' ' ' VAL . 4.3 p -80.95 110.87 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 173.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.769 HD11 HG23 ' A' ' 987' ' ' THR . 66.1 mt -59.27 -39.37 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.512 -172.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 978' ' ' THR . . . . . 0.524 HG22 ' OD2' ' A' ' 979' ' ' ASP . 26.1 m -157.0 -50.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.167 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 979' ' ' ASP . . . . . 0.524 ' OD2' HG22 ' A' ' 978' ' ' THR . 12.5 m-20 -146.3 -167.63 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.541 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 963' ' ' CYS . 3.1 pt -147.36 34.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.9 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -95.1 -178.24 4.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.909 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.44 137.58 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 83.26 -13.13 47.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.522 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 55.5 m -90.4 150.06 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 0.0 110.943 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.628 ' HD3' ' HB2' ' A' 1001 ' ' SER . 38.7 ttm180 -130.22 132.9 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 21.7 pt -104.17 -177.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 987' ' ' THR . . . . . 0.769 HG23 HD11 ' A' ' 977' ' ' ILE . 57.0 p -138.36 137.68 37.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.446 ' CD1' ' HG3' ' A' 1018 ' ' PRO . 82.2 m-85 -103.9 150.57 24.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.881 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 58.2 m -155.26 137.18 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.985 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 97.3 m -73.87 -177.89 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 6.8 t -76.41 -12.14 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 91.4 m -136.03 -40.7 0.67 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.051 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 136.88 28.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.385 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.618 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 88.3 m-70 -64.89 163.89 13.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' 1021 ' ' GLN . 78.6 ttt180 -62.33 134.16 56.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' 1018 ' ' PRO . 1.1 tm? -86.82 117.17 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.452 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' 1021 ' ' GLN . 34.2 mm -79.55 76.58 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.078 0.466 . . . . 0.0 110.733 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 151.17 -111.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.463 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -148.07 129.45 14.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 49.9 m -83.96 30.39 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.323 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1001 ' ' SER . . . . . 0.628 ' HB2' ' HD3' ' A' ' 985' ' ' ARG . 78.0 p -167.02 125.3 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.828 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -113.16 158.97 19.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.223 -176.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -127.1 124.93 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.5 t -67.83 102.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.784 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.34 168.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.451 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 47.0 mt -124.08 133.98 53.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.912 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 79.3 p -150.11 -49.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -94.29 -129.83 5.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -99.15 -10.66 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 8.7 t -143.36 137.17 28.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.186 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -64.89 125.17 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 17.7 p80 -131.94 144.61 50.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.828 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 68.6 m95 -67.84 145.42 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -176.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 81.0 p -83.51 30.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.248 -175.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1015 ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' 1002 ' ' ALA . 81.7 p -135.58 127.64 29.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.227 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.586 ' HB2' ' NZ ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -63.05 161.22 32.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 175.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1017 ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 8.0 Cg_endo -49.89 115.56 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.622 2.215 . . . . 0.0 112.144 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.446 ' HG3' ' CD1' ' A' ' 988' ' ' TYR . 32.7 Cg_endo -64.4 144.23 84.97 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.626 2.217 . . . . 0.0 112.388 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' 1020 ' ' CYS . 10.4 mt -131.44 164.02 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 994' ' ' HIS . 61.3 m -116.35 113.27 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1021 ' ' GLN . . . . . 0.609 ' HB2' HD11 ' A' ' 997' ' ' ILE . 28.9 tt0 -72.59 -14.06 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -175.261 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.618 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 40.3 ttm180 64.06 113.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.017 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 66.6 mt -103.63 128.19 27.9 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.993 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.447 2.098 . . . . 0.0 112.25 179.472 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 962' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 47.9 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.809 0.338 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 963' ' ' CYS . . . . . 0.53 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 92.1 m -68.48 157.27 36.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -81.66 119.15 23.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 76.2 p -54.32 134.31 61.22 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.277 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.76 125.72 10.76 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.566 2.177 . . . . 0.0 112.374 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.82 146.84 43.83 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.559 2.172 . . . . 0.0 112.193 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.06 120.4 42.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.987 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 969' ' ' PRO . . . . . 0.402 ' HG3' ' CE2' ' A' ' 988' ' ' TYR . 62.6 Cg_endo -72.96 175.49 10.35 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.612 2.208 . . . . 0.0 112.341 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.6 128.07 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 991' ' ' THR . 80.4 m-20 55.87 22.01 5.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.04 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -139.12 178.44 19.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.599 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.6 ptp -152.15 172.72 15.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.79 146.01 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.036 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -128.27 145.98 50.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 38.5 t -97.49 112.56 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.921 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.503 HG12 ' HA ' ' A' ' 986' ' ' ILE . 48.9 mm -73.24 -45.69 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.317 -174.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 978' ' ' THR . . . . . 0.566 HG22 ' OD2' ' A' ' 979' ' ' ASP . 28.1 m -135.3 -70.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.128 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 979' ' ' ASP . . . . . 0.566 ' OD2' HG22 ' A' ' 978' ' ' THR . 11.7 m-20 -141.06 -176.6 4.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.619 HG23 ' HZ2' ' A' 1013 ' ' TRP . 29.4 mt -110.41 -10.03 11.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 981' ' ' GLN . . . . . 0.52 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 28.4 pt20 -68.92 174.73 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.72 141.66 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.066 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 95.29 -12.98 67.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.291 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 56.4 m -93.18 136.34 33.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.717 0.294 . . . . 0.0 110.842 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -117.49 114.15 23.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.02 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.503 ' HA ' HG12 ' A' ' 977' ' ' ILE . 39.8 pt -95.55 174.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 175.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 987' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 988' ' ' TYR . 4.8 m -113.7 162.75 15.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.917 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.441 ' N ' HG22 ' A' ' 987' ' ' THR . 1.0 OUTLIER -149.75 124.53 9.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.669 -175.25 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 32.2 t -149.84 174.87 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.173 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 7.0 t -119.95 -170.11 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.34 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 971' ' ' ASN . 0.6 OUTLIER -59.12 -179.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 111.564 179.152 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 69.5 m -55.58 -68.03 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.362 -174.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 993' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . -84.35 42.92 3.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.599 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.505 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 71.7 m80 -143.16 116.43 9.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -86.55 139.08 31.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' 1000 ' ' SER . 1.7 tm? -69.78 108.05 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.428 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' 1019 ' ' ILE . 34.4 mm -75.77 74.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.034 0.445 . . . . 0.0 110.747 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 178.61 -125.06 0.96 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.624 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -104.82 -13.85 15.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.701 0.286 . . . . 0.0 111.094 -175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1000 ' ' SER . . . . . 0.454 ' H ' HD12 ' A' ' 996' ' ' LEU . 55.1 m 59.38 18.49 6.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.012 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 39.5 t -173.56 158.67 3.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.595 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -131.39 163.62 27.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.174 -177.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -149.01 118.17 6.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.2 t -62.24 100.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 43.0 pt -123.23 152.24 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.449 -174.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 60.5 mt -105.18 124.49 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.859 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.1 p -139.23 37.81 2.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 169.51 -85.51 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.502 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1009 ' ' ASN . . . . . 0.414 ' H ' ' H ' ' A' 1010 ' ' THR . 26.7 t-20 -157.61 -8.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1010 ' ' THR . . . . . 0.414 ' H ' ' H ' ' A' 1009 ' ' ASN . 66.4 m -126.61 111.01 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.53 ' HB1' ' SG ' ' A' ' 963' ' ' CYS . . . -59.57 129.47 42.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.324 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 20.0 p80 -150.35 168.68 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.619 ' HZ2' HG23 ' A' ' 980' ' ' ILE . 75.4 m95 -85.54 148.78 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.809 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 79.9 p -79.43 5.65 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 -174.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 44.2 p -86.42 137.94 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 111.408 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.794 ' HD3' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -97.79 166.01 14.37 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.369 173.538 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1017 ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 78.1 Cg_exo -39.78 102.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.711 2.274 . . . . 0.0 112.422 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.429 ' HG3' ' CE2' ' A' ' 988' ' ' TYR . 62.7 Cg_endo -74.03 154.53 47.55 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.641 2.228 . . . . 0.0 112.626 -171.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' ' 997' ' ' ILE . 9.7 mt -124.36 164.98 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.728 176.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 75.4 m -128.79 126.22 39.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.806 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1021 ' ' GLN . . . . . 0.426 ' HB3' HD11 ' A' ' 997' ' ' ILE . 64.3 tt0 -126.5 130.39 50.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 -177.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.447 ' HG2' ' HD2' ' A' 1024 ' ' PRO . 79.7 ttt180 -58.67 118.73 5.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.778 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1023 ' ' ILE . . . . . 0.65 ' HB ' ' HD3' ' A' 1024 ' ' PRO . 58.4 mt -66.64 -49.93 48.22 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.644 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1024 ' ' PRO . . . . . 0.65 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 49.9 Cg_exo . . . . . 0 C--O 1.249 1.028 0 C-N-CA 122.227 1.951 . . . . 0.0 112.346 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 962' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 980' ' ' ILE . 47.4 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.852 0.358 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 55.3 m -67.74 142.97 56.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -59.83 112.75 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.781 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 72.1 p -57.34 134.86 81.45 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.74 150.63 68.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.557 2.171 . . . . 0.0 112.226 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 967' ' ' PRO . . . . . 0.446 ' HD2' ' HG3' ' A' 1017 ' ' PRO . 26.6 Cg_endo -61.87 146.15 96.63 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.61 2.206 . . . . 0.0 112.138 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -56.19 120.38 34.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.031 -177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.91 142.42 62.44 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.547 2.165 . . . . 0.0 112.359 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.473 HG22 ' OD1' ' A' ' 971' ' ' ASN . 14.8 p -62.12 131.51 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.781 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.473 ' OD1' HG22 ' A' ' 970' ' ' VAL . 21.2 m120 50.23 74.43 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -173.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' A' ' 990' ' ' CYS . . . 152.24 -173.02 31.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.591 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -161.42 137.67 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.54 135.77 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 975' ' ' HIS . . . . . 0.439 ' O ' ' HB ' ' A' ' 986' ' ' ILE . 10.0 t-80 -106.89 135.0 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 -175.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.12 89.68 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 985' ' ' ARG . 58.4 mt -60.65 -66.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.329 -176.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 63.2 m -96.9 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.08 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 979' ' ' ASP . . . . . 0.43 ' HB3' ' HG2' ' A' ' 981' ' ' GLN . 17.0 t70 -165.46 170.32 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.508 HG23 ' HZ2' ' A' 1013 ' ' TRP . 9.1 mt -96.07 26.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.09 0.471 . . . . 0.0 110.71 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 981' ' ' GLN . . . . . 0.43 ' HG2' ' HB3' ' A' ' 979' ' ' ASP . 14.3 pt20 -103.03 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.811 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 982' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' 1006 ' ' LEU . 42.9 t -75.64 141.3 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.078 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 98.29 -6.67 61.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.384 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 96.5 p -94.26 170.73 9.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 977' ' ' ILE . 79.9 ttt180 -149.8 96.23 2.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.439 ' HB ' ' O ' ' A' ' 975' ' ' HIS . 39.2 pt -84.7 171.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 69.3 p -134.7 136.31 42.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.236 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.402 ' HE2' ' HB2' ' A' 1002 ' ' ALA . 89.9 m-85 -90.25 138.87 31.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 55.3 m -141.74 127.67 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 990' ' ' CYS . . . . . 0.492 ' HA ' ' HA3' ' A' ' 972' ' ' GLY . 84.2 m -76.44 -176.72 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 971' ' ' ASN . 6.7 t -63.13 -32.63 74.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.0 111.209 -176.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 87.8 m -134.44 -50.83 0.8 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.076 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 162.83 32.99 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.416 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.58 ' HB2' ' HB3' ' A' 1020 ' ' CYS . 23.6 m-70 -58.94 144.68 44.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.827 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -64.11 108.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.684 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' 1019 ' ' ILE . 15.1 tp -64.21 155.39 31.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 72.9 mt -109.01 122.19 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.692 170.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 104.82 -111.34 3.75 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.433 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -141.46 129.19 21.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.72 0.295 . . . . 0.0 111.133 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 35.7 t -76.56 44.29 0.35 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 47.5 t -166.91 162.3 15.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.645 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -157.0 156.81 33.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.25 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -135.6 132.58 37.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.745 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1004 ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 52.5 t -77.99 94.43 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.013 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 31.6 pt -123.65 136.9 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.616 ' HA ' ' HA ' ' A' 1011 ' ' ALA . 4.9 mp -77.99 -15.71 58.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.935 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 98.0 p 50.68 22.43 1.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.454 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 138.58 -69.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -156.43 13.53 0.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.773 0.32 . . . . 0.0 110.912 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 2.5 t -130.78 105.98 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.236 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.616 ' HA ' ' HA ' ' A' 1006 ' ' LEU . . . -69.25 113.77 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.8 p80 -149.47 178.86 8.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.675 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.508 ' HZ2' HG23 ' A' ' 980' ' ' ILE . 83.9 m95 -95.2 141.86 28.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.892 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 46.3 t -68.35 -4.1 13.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.333 -172.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 82.6 p -127.22 123.39 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.273 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.592 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -59.19 153.97 43.59 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.877 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1017 ' ' PRO . . . . . 0.446 ' HG3' ' HD2' ' A' ' 967' ' ' PRO . 73.4 Cg_exo -49.65 108.05 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.724 2.283 . . . . 0.0 112.398 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.478 ' HB2' HD11 ' A' ' 996' ' ' LEU . 73.9 Cg_endo -75.59 167.24 26.89 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.6 2.2 . . . . 0.0 112.475 -176.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 996' ' ' LEU . 12.8 mm -124.71 162.54 26.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 994' ' ' HIS . 99.7 m -109.8 120.48 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -108.11 110.03 21.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.761 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.535 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 33.6 ttm180 -57.32 132.47 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -178.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 63.8 mt -79.34 127.45 78.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.037 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo . . . . . 0 C--O 1.249 1.031 0 C-N-CA 122.629 2.219 . . . . 0.0 112.264 179.79 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.923 0.392 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 61.4 m -78.4 137.52 38.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.008 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -64.53 101.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 64.0 p -57.54 136.02 82.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.506 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 69.5 Cg_endo -74.03 150.31 43.04 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.658 2.238 . . . . 0.0 112.243 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.09 129.65 23.58 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.564 2.176 . . . . 0.0 112.207 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 968' ' ' ASP . . . . . 0.489 ' HB2' ' HA ' ' A' ' 973' ' ' MET . 4.5 p-10 -58.42 127.13 80.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 -178.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 969' ' ' PRO . . . . . 0.405 ' HB3' ' HB2' ' A' 1020 ' ' CYS . 51.5 Cg_exo -54.64 144.44 64.3 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.632 2.222 . . . . 0.0 112.238 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 971' ' ' ASN . 14.2 p -59.3 145.19 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 970' ' ' VAL . 20.4 m120 73.29 -29.46 0.2 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.514 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 970' ' ' VAL . . . -123.76 -149.36 7.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.529 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 973' ' ' MET . . . . . 0.489 ' HA ' ' HB2' ' A' ' 968' ' ' ASP . 0.0 OUTLIER -165.35 -175.9 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 974' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 988' ' ' TYR . 8.6 m -90.3 -174.54 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.298 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -149.67 88.16 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.51 100.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.792 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.618 HD11 HG23 ' A' ' 987' ' ' THR . 66.4 mt -60.09 -37.77 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.37 -176.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 62.0 m -152.07 -59.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.194 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -145.54 -168.34 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.666 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 2.6 pt -147.01 36.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.042 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -92.59 -171.42 2.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.776 177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.79 131.55 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.016 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.97 -9.48 75.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.43 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 84.1 p -73.55 168.78 18.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.472 ' O ' HD12 ' A' ' 977' ' ' ILE . 80.2 ttt180 -153.06 86.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 46.0 pt -76.67 -178.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 987' ' ' THR . . . . . 0.618 HG23 HD11 ' A' ' 977' ' ' ILE . 63.8 p -141.51 150.95 42.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 111.187 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.464 ' CD1' HG12 ' A' ' 974' ' ' VAL . 76.3 m-85 -97.79 131.53 44.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.761 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 47.0 t -95.8 -43.99 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.403 -172.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 1.3 m 57.61 -175.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.085 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 2.6 p -69.44 -95.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.414 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 96.1 m -138.65 -73.13 0.4 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.207 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . -100.66 51.88 0.97 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.58 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -126.17 137.0 53.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -96.29 144.11 26.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.799 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.458 HD22 ' H ' ' A' ' 999' ' ' HIS . 8.5 tt -89.49 127.08 35.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.704 HD13 ' HB ' ' A' 1019 ' ' ILE . 4.1 mp -74.14 81.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 175.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 167.37 -94.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -174.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 999' ' ' HIS . . . . . 0.458 ' H ' HD22 ' A' ' 996' ' ' LEU . 52.5 t-80 -145.42 -85.68 0.12 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.648 0.261 . . . . 0.0 111.023 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 48.1 t -179.95 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.87 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 80.0 p -137.25 -175.64 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -141.96 136.14 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.258 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -122.58 121.74 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.668 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1004 ' ' CYS . . . . . 0.52 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 45.2 t -76.14 102.64 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.026 -175.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 44.3 pt -124.63 143.48 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.208 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 65.9 mt -73.08 99.13 2.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 54.9 m -92.41 27.89 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.963 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 164.47 -91.36 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -138.5 10.17 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 48.0 m -145.12 138.77 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.52 ' HB1' ' SG ' ' A' 1004 ' ' CYS . . . -72.25 114.15 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.243 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.82 172.4 12.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.734 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.562 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 85.9 m95 -93.0 143.09 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 50.7 m -64.52 -16.87 63.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 7.3 t -105.07 137.14 43.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.912 0.387 . . . . 0.0 111.29 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.558 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -60.58 164.03 7.96 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.775 176.767 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1017 ' ' PRO . . . . . 0.521 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 81.1 Cg_exo -40.83 121.02 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.69 2.26 . . . . 0.0 112.479 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.413 ' HG3' ' CE1' ' A' ' 988' ' ' TYR . 74.5 Cg_endo -75.48 142.57 26.59 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.64 2.227 . . . . 0.0 112.699 -171.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.704 ' HB ' HD13 ' A' ' 997' ' ' ILE . 12.0 mt -126.96 163.11 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.513 173.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.46 ' N ' HG22 ' A' 1019 ' ' ILE . 5.7 t -133.76 100.15 4.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1021 ' ' GLN . . . . . 0.427 ' HB2' HD11 ' A' ' 997' ' ' ILE . 36.0 tt0 -109.45 134.86 51.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.99 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.596 ' HD3' ' H ' ' A' 1022 ' ' ARG . 0.0 OUTLIER -63.19 143.09 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.88 178.179 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1023 ' ' ILE . . . . . 0.555 ' N ' ' HD2' ' A' 1024 ' ' PRO . 66.0 mt -85.55 -50.41 0.53 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.534 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1024 ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' 1023 ' ' ILE . 49.9 Cg_endo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.194 1.929 . . . . 0.0 112.339 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 98.5 m -99.35 143.53 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.754 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -85.64 20.15 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.319 -172.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 965' ' ' THR . . . . . 0.684 HG22 HG21 ' A' ' 980' ' ' ILE . 12.0 p 61.95 137.79 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.65 176.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.426 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 72.7 Cg_endo -76.03 139.41 21.67 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.619 2.212 . . . . 0.0 112.293 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.23 138.2 46.2 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.52 2.147 . . . . 0.0 112.18 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -59.06 114.53 9.32 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.39 163.92 32.71 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.529 2.152 . . . . 0.0 112.206 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.42 134.47 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.113 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.403 ' HB3' ' CG2' ' A' ' 991' ' ' THR . 81.0 m-20 57.31 16.74 3.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -128.13 160.89 22.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.694 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -150.99 101.11 2.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 0.0 110.876 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.55 164.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.285 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -115.45 94.59 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.998 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.92 111.28 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.818 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.14 -63.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.21 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 55.9 m -156.42 -31.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.005 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -144.2 -170.54 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.515 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.684 HG21 HG22 ' A' ' 965' ' ' THR . 1.5 pp -143.6 29.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.108 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -108.53 -172.21 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.662 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 982' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' 1004 ' ' CYS . 79.6 t -64.41 133.03 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.044 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 106.09 -16.04 42.96 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.276 -176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 84.0 p -100.72 131.75 46.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.728 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -119.89 93.86 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 44.5 pt -89.56 171.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 66.1 p -141.48 150.19 41.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.407 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.41 127.17 34.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.601 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 989' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 990' ' ' CYS . 47.1 t -81.44 -62.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.46 -172.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 990' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 989' ' ' SER . 15.3 m 61.24 125.21 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 -169.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.459 HG23 ' ND1' ' A' ' 994' ' ' HIS . 3.5 t -56.47 147.34 22.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.312 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 72.5 m -54.36 130.21 38.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.227 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 105.63 7.03 37.41 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.325 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.594 ' NE2' ' HG2' ' A' 1022 ' ' ARG . 42.6 m80 -132.85 147.58 52.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 110.915 -178.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -102.82 167.8 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' 1018 ' ' PRO . 3.9 mm? -96.9 124.24 40.82 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.198 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.787 HD11 ' HB2' ' A' 1021 ' ' GLN . 18.8 mm -87.23 45.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.182 0.515 . . . . 0.0 110.32 169.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 998' ' ' GLY . . . . . 0.445 ' HA3' ' HB3' ' A' 1018 ' ' PRO . . . -159.14 -95.17 0.1 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.585 -175.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -162.56 -11.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 111.095 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1000 ' ' SER . . . . . 0.592 ' HB2' ' HG ' ' A' ' 996' ' ' LEU . 35.3 t 62.86 14.1 7.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.938 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 66.3 m -158.56 145.79 17.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -143.04 165.43 27.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -139.9 129.56 24.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1004 ' ' CYS . . . . . 0.417 ' O ' HG22 ' A' ' 982' ' ' VAL . 43.2 t -72.75 104.39 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -178.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.3 pt -130.47 145.43 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.67 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.7 mp -81.91 137.55 35.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 58.3 m -114.22 31.3 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 121.65 -95.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.531 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.0 m120 -109.81 9.43 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 110.91 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 61.1 m -149.65 122.06 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.67 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -96.38 125.1 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.3 p80 -142.35 178.01 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.498 ' HE1' ' HA ' ' A' ' 965' ' ' THR . 84.8 m95 -85.24 139.48 31.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.99 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 50.1 m -55.55 -74.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 -172.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 79.9 p -65.02 138.07 58.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.372 -174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1016 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 154.01 76.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.602 175.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.95 103.4 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.587 2.191 . . . . 0.0 112.047 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.611 ' HB2' HD12 ' A' ' 996' ' ' LEU . 2.8 Cg_exo -76.43 153.22 34.97 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.914 2.409 . . . . 0.0 112.329 -172.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' 1020 ' ' CYS . 9.4 mt -93.02 162.57 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.68 175.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.443 ' N ' HG22 ' A' 1019 ' ' ILE . 55.6 m -101.81 96.52 7.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.812 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1021 ' ' GLN . . . . . 0.787 ' HB2' HD11 ' A' ' 997' ' ' ILE . 57.9 tp60 -62.15 124.19 20.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.059 -176.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.594 ' HG2' ' NE2' ' A' ' 994' ' ' HIS . 1.0 OUTLIER -88.56 82.8 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.639 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 35.6 pt -62.62 143.51 96.43 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.312 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.578 2.186 . . . . 0.0 112.246 -179.702 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 84.3 m -92.26 135.4 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -141.24 105.67 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 965' ' ' THR . . . . . 0.765 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 89.6 m -161.84 -53.78 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.85 -175.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.765 ' HD2' ' H ' ' A' ' 965' ' ' THR . 10.9 Cg_endo -54.56 108.34 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.831 2.354 . . . . 0.0 112.609 -174.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.09 -167.41 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.029 2.486 . . . . 0.0 112.041 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -95.03 105.98 22.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.73 134.62 41.47 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.5 2.133 . . . . 0.0 112.418 -176.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.51 141.86 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.967 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 53.38 59.24 4.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.827 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 163.07 -154.74 25.81 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.443 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -166.39 137.32 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.963 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.08 145.04 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.985 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -67.36 -60.48 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.94 -175.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 72.7 t 56.97 101.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.245 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.43 ' H ' HG22 ' A' ' 986' ' ' ILE . 50.1 mm -56.86 -76.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.202 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 69.0 m -158.63 -66.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -105.35 -7.72 18.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 43.0 pt 36.41 46.98 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.872 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -91.21 -172.98 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.818 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.79 133.84 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 983' ' ' GLY . . . . . 0.427 ' H ' ' HB2' ' A' 1004 ' ' CYS . . . 96.34 -23.42 34.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.53 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 44.5 t -75.12 158.15 33.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -136.7 109.88 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.956 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' ' 977' ' ' ILE . 42.9 pt -96.8 171.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 68.6 p -133.89 128.77 35.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.234 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.406 ' OH ' ' HB3' ' A' ' 966' ' ' PRO . 72.4 m-85 -91.58 124.64 35.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.72 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 80.1 p -132.54 128.46 37.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.004 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 72.5 m -89.58 -173.9 4.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.804 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.405 HG23 ' ND1' ' A' ' 994' ' ' HIS . 5.1 t -79.35 156.46 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 3.3 t -57.02 120.55 8.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.293 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 110.25 15.81 11.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.538 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.405 ' ND1' HG23 ' A' ' 991' ' ' THR . 65.8 m80 -137.27 145.0 42.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.022 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.572 ' HB3' HE21 ' A' 1021 ' ' GLN . 78.6 ttt180 -106.37 153.47 22.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' 1018 ' ' PRO . 1.2 tm? -76.15 125.08 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -176.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.771 HD11 ' HB3' ' A' 1021 ' ' GLN . 37.9 mm -83.16 82.22 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.677 173.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 998' ' ' GLY . . . . . 0.574 ' HA2' ' NZ ' ' A' 1016 ' ' LYS . . . 153.93 -93.9 0.14 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.347 -174.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 999' ' ' HIS . . . . . 0.536 ' H ' HD12 ' A' ' 996' ' ' LEU . 60.5 t-80 -144.64 -81.11 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.649 0.261 . . . . 0.0 110.714 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 91.0 p -176.14 -48.69 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.859 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 79.7 p -138.07 179.26 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.654 ' HB2' HG22 ' A' 1015 ' ' THR . . . -141.98 172.01 13.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -144.26 137.66 27.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.767 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1004 ' ' CYS . . . . . 0.427 ' HB2' ' H ' ' A' ' 983' ' ' GLY . 56.4 m -63.15 91.25 0.05 OUTLIER 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 18.3 pt -105.92 154.63 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.36 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 76.3 mt -104.79 126.95 52.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.887 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 51.5 m -107.37 -23.36 12.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -151.02 -81.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.424 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.63 14.69 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 51.0 m -148.15 134.3 19.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.047 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.44 115.08 14.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -126.17 143.53 51.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.63 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.539 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 71.7 m95 -67.76 146.83 53.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 68.6 p -60.01 -67.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.174 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1015 ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' 1002 ' ' ALA . 9.1 t -69.79 152.77 44.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.371 -175.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.574 ' NZ ' ' HA2' ' A' ' 998' ' ' GLY . 0.0 OUTLIER -79.9 160.64 68.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.767 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -44.32 106.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.65 2.233 . . . . 0.0 112.424 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.537 ' HB3' HD11 ' A' ' 996' ' ' LEU . 57.4 Cg_endo -71.66 148.59 53.4 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.626 2.217 . . . . 0.0 112.66 -173.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.686 ' H ' ' HB ' ' A' ' 997' ' ' ILE . 13.4 mm -115.17 165.36 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.567 176.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' 1019 ' ' ILE . 58.5 m -111.28 107.41 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -178.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1021 ' ' GLN . . . . . 0.771 ' HB3' HD11 ' A' ' 997' ' ' ILE . 11.2 pt20 -92.78 146.29 23.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -81.51 107.22 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 61.4 mt -66.08 128.0 93.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 C--O 1.248 1.004 0 C-N-CA 122.552 2.168 . . . . 0.0 112.237 179.444 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 962' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 53.6 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.789 0.328 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 963' ' ' CYS . . . . . 0.412 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 71.1 m -89.42 161.36 16.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -151.08 41.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 965' ' ' THR . . . . . 0.797 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 70.6 m -103.38 -51.79 0.13 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.292 -171.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.797 ' HD2' ' H ' ' A' ' 965' ' ' THR . 6.5 Cg_endo -49.54 105.46 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.967 2.445 . . . . 0.0 112.75 -168.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -85.27 -165.0 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.868 2.379 . . . . 0.0 112.175 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.81 110.39 63.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.774 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 969' ' ' PRO . . . . . 0.427 ' HG2' ' C ' ' A' ' 972' ' ' GLY . 33.5 Cg_endo -64.96 167.48 15.8 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.6 2.2 . . . . 0.0 112.394 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.12 128.95 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.768 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 57.86 12.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.085 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.427 ' C ' ' HG2' ' A' ' 969' ' ' PRO . . . -130.39 -165.0 11.47 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 973' ' ' MET . . . . . 0.459 ' HG3' ' NE2' ' A' ' 975' ' ' HIS . 23.8 ptt? -163.42 135.16 4.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 110.829 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.4 145.93 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 975' ' ' HIS . . . . . 0.466 ' O ' ' HB ' ' A' ' 986' ' ' ILE . 77.9 m-70 -129.64 145.04 51.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 976' ' ' VAL . . . . . 0.402 ' HA ' HG22 ' A' ' 986' ' ' ILE . 6.7 p -109.15 119.63 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 177.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.741 HD11 HG23 ' A' ' 987' ' ' THR . 48.1 mt -75.91 -35.15 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.23 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 48.2 p -138.78 -68.01 0.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -150.86 -171.16 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 980' ' ' ILE . 28.2 mm -118.96 -7.52 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 981' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 13.7 pt20 -67.29 -173.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.981 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.6 133.57 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 89.78 8.9 66.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.709 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 91.5 p -98.17 146.8 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.801 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -121.68 130.91 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 975' ' ' HIS . 36.9 pt -128.44 169.6 19.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 987' ' ' THR . . . . . 0.741 HG23 HD11 ' A' ' 977' ' ' ILE . 71.5 p -135.29 130.45 35.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.167 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -87.63 136.96 32.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.2 m -120.89 169.15 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 22.4 t -153.23 162.37 41.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.497 HG23 ' ND1' ' A' ' 994' ' ' HIS . 5.1 t -60.8 151.78 28.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.304 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 64.7 m -60.32 137.67 58.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 94.42 8.19 60.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.327 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 991' ' ' THR . 44.5 m80 -134.85 114.78 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.771 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.631 ' HB2' HD11 ' A' 1023 ' ' ILE . 9.8 mpt_? -90.36 136.82 32.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.052 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' 1018 ' ' PRO . 9.3 tt -75.5 126.6 31.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.837 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.2 79.38 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 173.29 -115.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.469 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -140.62 -0.2 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.871 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1000 ' ' SER . . . . . 0.42 ' H ' HD22 ' A' ' 996' ' ' LEU . 97.3 p 49.09 27.44 1.73 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.453 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 46.6 t -162.96 161.74 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.678 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -164.78 172.85 12.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -145.61 136.11 24.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 5.3 m -68.13 88.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 30.0 pt -99.85 128.86 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.214 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 31.2 mt -86.15 117.8 25.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.04 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.412 ' HB2' ' NE2' ' A' 1012 ' ' HIS . 49.4 m -143.8 91.24 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 105.29 39.53 2.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.46 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.1 m120 57.64 24.88 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 110.997 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 7.2 t -142.51 131.71 23.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.412 ' HB1' ' SG ' ' A' ' 963' ' ' CYS . . . -85.9 114.3 22.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 178.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1012 ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' 1007 ' ' SER . 19.0 p80 -140.45 141.95 35.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.754 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.678 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 65.7 m95 -69.71 147.57 50.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 76.8 p -61.36 -62.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 77.7 p -68.07 141.79 56.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.42 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.482 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.2 OUTLIER -64.44 158.51 65.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 176.357 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1017 ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.2 Cg_endo -52.42 108.2 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.735 2.29 . . . . 0.0 112.265 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.639 ' HB3' HD21 ' A' ' 996' ' ' LEU . 36.6 Cg_exo -58.44 159.02 20.93 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.787 2.324 . . . . 0.0 112.506 -175.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' 1020 ' ' CYS . 10.9 mt -132.03 164.07 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.718 177.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.478 ' N ' HG22 ' A' 1019 ' ' ILE . 79.4 m -106.16 120.28 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.982 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -112.83 104.92 12.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.851 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -56.4 145.15 28.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1023 ' ' ILE . . . . . 0.631 HD11 ' HB2' ' A' ' 995' ' ' ARG . 24.8 mm -102.53 127.3 30.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.135 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 C--O 1.248 1.022 0 C-N-CA 122.561 2.174 . . . . 0.0 112.329 179.319 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.695 0.284 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 63.4 m -79.4 125.91 30.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.842 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -65.61 94.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 65.0 p -60.68 130.99 90.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.544 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 91.7 Cg_endo -79.67 142.33 16.04 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.669 2.246 . . . . 0.0 112.53 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.52 147.26 70.32 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.5 2.133 . . . . 0.0 111.935 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 968' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 969' ' ' PRO . 9.6 m-20 -51.77 106.47 0.66 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -175.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 969' ' ' PRO . . . . . 0.48 ' O ' HG12 ' A' ' 970' ' ' VAL . 13.5 Cg_exo -69.97 106.23 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.761 2.307 . . . . 0.0 112.095 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.795 HG22 ' H ' ' A' ' 971' ' ' ASN . 2.9 p 43.44 -164.2 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.454 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.795 ' H ' HG22 ' A' ' 970' ' ' VAL . 12.9 m120 -47.82 -33.17 6.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.669 0.271 . . . . 0.0 111.145 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.683 ' HA2' ' HA ' ' A' ' 990' ' ' CYS . . . -61.27 121.58 26.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.534 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptm -92.1 136.17 33.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.944 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.65 141.16 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.981 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -104.12 89.39 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 7.7 p -74.65 122.55 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.914 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.471 HD11 ' O ' ' A' ' 985' ' ' ARG . 58.1 mt -58.64 -82.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.255 -175.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 47.8 m -161.47 -24.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.899 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 979' ' ' ASP . . . . . 0.661 ' HB3' HE22 ' A' ' 981' ' ' GLN . 10.6 m-20 -143.9 124.35 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 5.3 pt -103.97 49.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.449 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 981' ' ' GLN . . . . . 0.661 HE22 ' HB3' ' A' ' 979' ' ' ASP . 12.9 mp0 -91.31 166.71 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.763 173.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.58 134.85 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 101.29 -3.63 54.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.279 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 62.1 m -81.84 162.24 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.471 ' O ' HD11 ' A' ' 977' ' ' ILE . 40.3 ttm180 -142.16 87.85 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -178.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.417 HG22 HG13 ' A' ' 977' ' ' ILE . 44.4 pt -80.68 171.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 78.8 p -128.72 143.8 51.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.293 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.544 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 22.6 m-85 -109.84 139.87 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.796 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 33.4 t -147.85 174.94 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.052 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 990' ' ' CYS . . . . . 0.683 ' HA ' ' HA2' ' A' ' 972' ' ' GLY . 46.9 m -100.24 155.83 17.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.018 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 8.3 t -73.14 -4.03 30.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.353 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 80.3 m -128.41 -37.75 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 131.37 20.82 1.09 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.43 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.584 ' HB2' ' SG ' ' A' 1020 ' ' CYS . 42.9 m-70 -73.57 -173.43 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.858 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.595 ' HE ' ' H ' ' A' ' 996' ' ' LEU . 6.2 tpm_? -93.84 148.32 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -175.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.595 ' H ' ' HE ' ' A' ' 995' ' ' ARG . 1.3 tm? -95.53 114.58 26.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.465 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.646 ' HB ' ' HB ' ' A' 1019 ' ' ILE . 3.9 mp -82.39 87.25 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.578 177.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 149.26 -108.97 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.405 -176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 999' ' ' HIS . . . . . 0.49 ' NE2' ' HB3' ' A' 1001 ' ' SER . 19.2 t-160 -144.6 117.75 8.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 110.798 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 80.4 p -82.07 34.57 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1001 ' ' SER . . . . . 0.49 ' HB3' ' NE2' ' A' ' 999' ' ' HIS . 43.7 t -157.28 158.64 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.713 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -137.48 164.36 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.483 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1003 ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' 1005 ' ' ILE . 41.1 tt0 -153.43 104.64 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.54 175.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 43.2 t -57.24 98.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1005 ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' 1003 ' ' GLU . 40.7 pt -123.04 139.51 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.302 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.624 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.2 mp -88.39 158.71 18.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 78.5 p -153.5 17.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 95.36 -24.17 30.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.532 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -110.61 62.15 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.851 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 30.3 m 63.69 133.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.413 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.624 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -61.73 115.23 3.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 16.4 p80 -127.53 155.24 44.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.464 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 55.4 m95 -70.69 142.82 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.711 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 78.9 p -74.79 4.11 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.344 -173.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1015 ' ' THR . . . . . 0.48 HG21 ' CE1' ' A' ' 988' ' ' TYR . 41.4 p -59.9 137.11 58.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.968 0.413 . . . . 0.0 111.616 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' 1016 ' ' LYS . 0.5 OUTLIER -85.04 155.54 60.78 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.193 167.069 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -43.05 101.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.73 2.286 . . . . 0.0 112.67 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -81.89 146.19 14.54 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.74 2.293 . . . . 0.0 112.521 -175.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.646 ' HB ' ' HB ' ' A' ' 997' ' ' ILE . 13.8 mt -137.61 164.6 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 994' ' ' HIS . 46.7 t -124.16 117.8 25.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.757 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1021 ' ' GLN . . . . . 0.54 ' O ' ' HB3' ' A' ' 994' ' ' HIS . 6.6 tp-100 -128.6 121.98 29.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.965 -175.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.583 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 36.0 ttm180 -56.59 116.54 3.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 12.7 pt -77.07 136.65 65.78 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.212 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.587 2.191 . . . . 0.0 112.272 179.638 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 962' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 51.0 m . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.894 0.378 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 98.4 m -66.46 174.3 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.762 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -124.91 38.48 4.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.064 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 965' ' ' THR . . . . . 0.606 HG22 HG21 ' A' ' 980' ' ' ILE . 19.1 p 61.16 135.88 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.875 174.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.449 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 93.1 Cg_endo -80.0 134.35 10.53 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.71 141.4 64.77 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.616 2.211 . . . . 0.0 112.201 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 968' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 969' ' ' PRO . 2.9 p30 -55.83 107.77 0.99 Allowed Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 -177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 969' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 968' ' ' ASP . 3.1 Cg_exo -81.55 121.45 3.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.047 2.498 . . . . 0.0 112.37 -176.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.824 HG22 ' H ' ' A' ' 971' ' ' ASN . 2.8 p 44.31 -164.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.695 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.824 ' H ' HG22 ' A' ' 970' ' ' VAL . 2.7 m-20 -48.11 -35.25 11.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.779 0.323 . . . . 0.0 111.225 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.656 ' H ' HG13 ' A' ' 970' ' ' VAL . . . -64.84 171.47 22.09 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.592 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 973' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 973' ' ' MET . 1.5 pmm? -143.68 143.92 31.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.0 p -88.19 134.88 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -94.79 118.01 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 83.9 t -90.88 114.59 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 175.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.566 HG22 HG23 ' A' ' 978' ' ' THR . 56.6 mt -61.23 -70.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.24 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 978' ' ' THR . . . . . 0.566 HG23 HG22 ' A' ' 977' ' ' ILE . 41.2 p -143.1 -54.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -128.44 -164.59 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.606 HG21 HG22 ' A' ' 965' ' ' THR . 2.2 pt -150.35 34.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.096 -175.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 981' ' ' GLN . . . . . 0.555 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 75.6 mt-30 -96.53 -173.85 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.812 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.18 139.76 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.034 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 93.04 -14.82 64.33 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.54 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 54.9 m -80.04 134.2 36.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' 1002 ' ' ALA . 79.5 ttt180 -133.7 87.33 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.509 HG22 HG13 ' A' ' 977' ' ' ILE . 40.5 pt -82.74 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 177.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 987' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' 1001 ' ' SER . 68.0 p -128.15 142.89 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.36 -174.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.572 ' HE1' ' HB2' ' A' 1002 ' ' ALA . 87.3 m-85 -89.98 145.54 25.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.776 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 28.6 t -142.1 172.91 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.794 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 36.0 t -117.1 163.5 16.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 8.0 t -71.87 -6.8 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.462 -172.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 85.5 m -134.55 -33.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 126.16 13.37 3.26 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.263 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.679 ' HB3' ' H ' ' A' 1022 ' ' ARG . 73.8 m-70 -62.1 148.0 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -62.29 146.79 50.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 -175.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.493 HD23 ' H ' ' A' ' 999' ' ' HIS . 6.7 tp -87.82 121.19 29.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.842 HD13 ' HB ' ' A' 1019 ' ' ILE . 3.8 mp -75.22 80.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.061 0.458 . . . . 0.0 110.247 170.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 166.39 -104.45 0.22 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.425 -173.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 999' ' ' HIS . . . . . 0.493 ' H ' HD23 ' A' ' 996' ' ' LEU . 0.8 OUTLIER -134.7 -91.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.637 0.256 . . . . 0.0 111.129 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 47.8 t 177.35 -35.81 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -178.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1001 ' ' SER . . . . . 0.502 ' HB2' HG22 ' A' ' 987' ' ' THR . 44.0 t -150.93 158.05 43.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -175.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -119.52 163.53 17.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.339 -176.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -135.55 124.11 23.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.704 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 40.8 t -61.18 106.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.5 pt -126.09 144.91 34.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' 1011 ' ' ALA . 70.5 mt -78.61 126.18 30.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 176.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 50.7 m -118.55 20.98 12.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 150.23 -111.51 0.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.432 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -96.61 -1.29 47.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 77.1 m -150.84 137.3 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.576 ' HB2' HD23 ' A' 1006 ' ' LEU . . . -80.55 126.08 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -118.96 168.45 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.792 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.658 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 84.7 m95 -87.22 139.89 30.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 80.5 p -87.81 44.42 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.32 -171.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 11.6 p -118.14 131.71 56.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.894 0.378 . . . . 0.0 111.567 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.44 ' HB3' ' HD2' ' A' 1017 ' ' PRO . 79.5 mttt -60.28 158.39 28.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.494 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1017 ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' 1016 ' ' LYS . 7.6 Cg_endo -49.58 104.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.813 2.342 . . . . 0.0 112.318 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.49 ' HB2' HD11 ' A' ' 996' ' ' LEU . 78.9 Cg_endo -79.06 139.05 14.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.676 2.251 . . . . 0.0 112.488 -175.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.842 ' HB ' HD13 ' A' ' 997' ' ' ILE . 13.1 mt -141.51 166.88 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.748 -177.498 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.527 ' N ' HG22 ' A' 1019 ' ' ILE . 72.6 m -100.78 103.81 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.789 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1021 ' ' GLN . . . . . 0.521 ' HB2' HD11 ' A' ' 997' ' ' ILE . 53.6 tt0 -65.39 -20.04 66.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.059 -176.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.679 ' H ' ' HB3' ' A' ' 994' ' ' HIS . 55.5 ttp180 64.15 113.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.018 -177.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 68.9 mt -100.71 116.83 63.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.049 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.541 2.161 . . . . 0.0 112.232 179.742 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 79.7 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.73 0.3 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.88 146.48 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.076 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -140.0 99.47 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.515 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 965' ' ' THR . . . . . 0.648 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 87.3 m -158.2 -55.89 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.992 -171.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 71.2 Cg_exo -50.36 104.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.878 2.386 . . . . 0.0 112.824 -168.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -88.7 -163.37 0.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.943 2.429 . . . . 0.0 112.205 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 968' ' ' ASP . . . . . 0.412 ' HA ' ' HD2' ' A' ' 969' ' ' PRO . 15.5 t70 -96.82 102.99 13.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 173.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 969' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 968' ' ' ASP . 18.1 Cg_endo -59.72 138.27 82.06 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.656 2.238 . . . . 0.0 112.271 -175.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.06 132.87 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.032 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.415 ' C ' HG23 ' A' ' 991' ' ' THR . 79.5 m-20 53.03 59.3 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 168.3 -156.12 27.36 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.3 ptm -164.07 142.34 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.954 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.2 p -88.02 146.3 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -110.34 102.65 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.151 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.0 110.58 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.713 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 986' ' ' ILE . 49.6 mm -60.23 -56.83 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.234 -177.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 45.4 m -157.09 -33.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -148.63 -168.65 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.596 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 2.6 pt -146.34 37.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -108.99 -175.99 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.78 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.96 137.43 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.027 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 88.95 -10.13 73.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 56.9 m -94.95 132.53 39.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.825 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' 1002 ' ' ALA . 56.9 ttp180 -121.46 105.77 10.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.435 ' HA ' HG12 ' A' ' 977' ' ' ILE . 48.9 pt -89.74 177.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 71.7 p -136.23 131.55 34.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.313 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.443 ' HE2' ' HB2' ' A' 1002 ' ' ALA . 89.1 m-85 -96.22 152.62 18.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.709 177.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 90.7 p -152.25 144.82 24.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 48.1 t -108.05 168.42 9.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.629 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 971' ' ' ASN . 11.2 p -58.86 158.4 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.36 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 62.7 m -62.14 135.55 57.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.095 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 96.99 6.87 57.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.334 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.478 ' NE2' ' HD3' ' A' 1022 ' ' ARG . 25.1 m80 -127.2 171.46 11.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 110.767 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -135.66 125.89 26.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.789 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' 1019 ' ' ILE . 36.4 tp -67.74 124.17 22.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' 1021 ' ' GLN . 4.0 mp -81.1 78.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -178.92 -126.22 0.99 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.23 3.62 3.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.747 0.308 . . . . 0.0 111.143 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1000 ' ' SER . . . . . 0.501 ' HA ' HD23 ' A' ' 996' ' ' LEU . 34.3 t 58.67 20.8 8.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.009 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 68.1 m -157.85 -176.28 5.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.959 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 985' ' ' ARG . . . -170.21 149.16 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1003 ' ' GLU . . . . . 0.463 ' HG2' HG23 ' A' 1005 ' ' ILE . 40.7 tt0 -129.09 120.28 25.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.975 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 41.2 t -71.34 102.06 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1005 ' ' ILE . . . . . 0.463 HG23 ' HG2' ' A' 1003 ' ' GLU . 42.9 pt -127.62 153.86 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.417 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 39.9 mt -94.46 161.21 14.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 84.8 p -147.87 -27.42 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.982 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -154.06 -86.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.586 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -130.75 -9.64 3.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.816 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 63.4 m -132.29 115.68 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -65.37 130.66 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 16.6 p80 -139.71 145.51 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.737 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.598 ' HE1' ' HD3' ' A' ' 966' ' ' PRO . 69.6 m95 -67.94 142.63 55.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 46.8 t -73.22 -7.76 52.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.356 -172.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 80.8 p -106.78 150.77 25.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 111.271 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.459 ' HZ3' ' N ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -72.12 154.59 92.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.57 146.52 19.61 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.541 2.16 . . . . 0.0 112.306 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.35 138.31 29.9 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.523 ' O ' HD12 ' A' ' 996' ' ' LEU . 11.3 mt -136.89 164.1 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.691 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.489 ' N ' HG22 ' A' 1019 ' ' ILE . 83.9 m -124.92 125.34 43.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.729 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1021 ' ' GLN . . . . . 0.593 ' HB3' HD11 ' A' ' 997' ' ' ILE . 20.0 pt20 -90.74 -25.54 19.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.478 ' HD3' ' NE2' ' A' ' 994' ' ' HIS . 32.1 tpt180 55.51 87.63 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.876 -179.221 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 24.0 pt -69.34 144.77 95.12 Favored Pre-proline 0 N--CA 1.452 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.272 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.534 2.156 . . . . 0.0 112.295 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.961 0.41 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 74.6 m -59.12 160.56 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.026 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -90.93 110.0 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.685 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 965' ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' ' 966' ' ' PRO . 82.8 p -52.57 135.07 44.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.208 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.553 ' HB2' ' HE2' ' A' ' 988' ' ' TYR . 22.8 Cg_exo -64.02 130.73 28.3 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.599 2.199 . . . . 0.0 112.197 -176.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.2 127.64 19.71 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.525 2.15 . . . . 0.0 112.139 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -74.42 112.25 16.41 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.033 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.23 -162.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.681 2.254 . . . . 0.0 112.178 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 10.3 p -52.98 129.25 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.444 ' HB3' ' OG1' ' A' ' 991' ' ' THR . 2.0 m-20 45.65 46.79 11.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.023 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -93.51 159.44 24.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 49.0 tpp -163.18 98.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.67 150.75 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -129.36 138.81 51.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.934 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 976' ' ' VAL . . . . . 0.61 ' HA ' HG22 ' A' ' 986' ' ' ILE . 7.1 p -91.66 127.65 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 177.128 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.487 HG12 ' HA ' ' A' ' 986' ' ' ILE . 46.6 mm -92.64 -39.34 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.26 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 49.3 p -138.62 -66.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.284 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -148.31 -168.89 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.757 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 980' ' ' ILE . 31.4 mm -124.27 -4.19 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.632 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -73.87 -171.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.849 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.43 138.53 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.085 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 85.19 7.22 83.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.436 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 88.7 p -85.76 144.7 27.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' 1002 ' ' ALA . 40.0 ttm180 -132.5 90.9 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 -178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.61 HG22 ' HA ' ' A' ' 976' ' ' VAL . 33.9 pt -82.13 178.27 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 987' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' 1001 ' ' SER . 74.1 p -135.43 128.88 32.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.28 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.553 ' HE2' ' HB2' ' A' ' 966' ' ' PRO . 0.2 OUTLIER -100.31 138.92 36.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.678 176.357 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.6 m -146.69 -11.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.417 -174.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 83.6 m 57.57 -167.14 0.13 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' A' ' 971' ' ' ASN . 7.3 p -66.0 161.77 20.78 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.29 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 80.7 m -71.12 108.52 4.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 119.5 7.26 9.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.485 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -124.82 134.51 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.53 ' HE ' ' H ' ' A' ' 996' ' ' LEU . 6.9 tpm_? -91.99 126.03 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -178.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.823 HD11 ' HB2' ' A' 1018 ' ' PRO . 8.5 tp -71.77 133.68 45.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.787 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.85 ' HB ' HD13 ' A' 1019 ' ' ILE . 22.9 mm -96.02 58.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.034 0.445 . . . . 0.0 110.725 176.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -151.96 -121.93 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.543 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -126.8 -0.17 6.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1000 ' ' SER . . . . . 0.501 ' H ' HD23 ' A' ' 996' ' ' LEU . 33.7 t 58.34 30.56 19.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1001 ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 987' ' ' THR . 30.4 t -174.29 -177.39 1.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.694 -176.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -166.42 167.37 15.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1003 ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' 1013 ' ' TRP . 10.5 tp10 -148.19 134.0 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.983 -178.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 16.7 m -76.72 100.17 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.174 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 32.3 pt -112.09 169.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.429 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 69.2 mt -126.62 130.82 51.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.942 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 85.1 p -148.84 11.59 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -155.25 -92.88 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -145.7 -9.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 4.9 t -133.48 131.81 40.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.196 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -68.05 113.54 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.0 p80 -115.52 -177.36 3.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.642 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.509 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 82.2 m95 -97.65 136.7 37.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.4 t -71.6 -8.32 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.209 -173.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1015 ' ' THR . . . . . 0.465 HG21 ' O ' ' A' 1001 ' ' SER . 70.0 p -100.56 132.76 45.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.239 -177.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' 1016 ' ' LYS . 0.1 OUTLIER -58.87 159.11 14.14 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.969 178.815 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1017 ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.9 Cg_endo -51.29 113.08 0.96 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.777 2.318 . . . . 0.0 112.212 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.823 ' HB2' HD11 ' A' ' 996' ' ' LEU . 43.0 Cg_endo -67.96 160.93 46.33 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.636 2.224 . . . . 0.0 112.5 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.85 HD13 ' HB ' ' A' ' 997' ' ' ILE . 2.0 mp -129.91 162.61 37.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.747 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' 1019 ' ' ILE . 65.2 m -118.91 87.44 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.779 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -80.36 139.76 36.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.704 ' H ' ' HD2' ' A' 1022 ' ' ARG . 0.0 OUTLIER -101.14 81.31 2.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.745 175.264 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1023 ' ' ILE . . . . . 0.505 ' O ' HD12 ' A' 1023 ' ' ILE . 1.6 pp -57.02 152.6 27.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.375 -176.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.444 2.096 . . . . 0.0 112.334 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 962' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 48.1 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.006 0.431 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.11 167.86 21.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.142 -177.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.47 -167.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.49 172.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 69.8 p -127.11 129.94 23.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.132 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.457 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 57.2 Cg_endo -71.02 154.77 62.59 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.602 2.201 . . . . 0.0 112.34 -178.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.41 141.25 67.13 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.62 2.213 . . . . 0.0 112.229 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.09 116.02 14.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 969' ' ' PRO . . . . . 0.467 ' HG3' ' HG2' ' A' 1018 ' ' PRO . 33.2 Cg_exo -58.07 155.82 32.22 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.664 2.243 . . . . 0.0 112.243 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.88 128.94 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.496 ' O ' HG23 ' A' ' 991' ' ' THR . 72.0 m-20 52.87 31.79 11.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -178.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.91 166.88 28.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.61 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.1 ptm -143.22 129.76 20.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.7 p -82.14 142.96 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.011 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -102.2 86.13 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.67 122.96 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 175.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.64 HG12 HG22 ' A' ' 986' ' ' ILE . 48.2 mm -56.25 -81.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 -175.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 46.5 p -147.65 -57.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.042 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -132.25 -3.98 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.558 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 40.0 pt 39.9 49.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.744 173.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 981' ' ' GLN . . . . . 0.579 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 51.5 mt-30 -70.64 -169.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.724 176.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.48 130.69 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.038 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.17 -12.16 70.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 54.9 m -66.96 156.99 34.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' 1002 ' ' ALA . 40.2 ttm180 -139.6 115.58 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.64 HG22 HG12 ' A' ' 977' ' ' ILE . 38.5 pt -102.55 176.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 175.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 67.5 p -135.13 140.33 45.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.198 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.457 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 77.2 m-85 -102.49 146.15 28.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 54.0 m -154.14 135.79 14.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 111.203 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 14.9 t -88.02 175.32 7.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.376 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 971' ' ' ASN . 3.8 p -58.56 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.942 0.401 . . . . 0.0 111.416 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 992' ' ' THR . . . . . 0.513 HG22 ' N ' ' A' ' 993' ' ' GLY . 5.8 m -77.89 168.93 19.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.625 177.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 993' ' ' GLY . . . . . 0.513 ' N ' HG22 ' A' ' 992' ' ' THR . . . -53.87 96.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.466 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.625 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 28.9 m-70 -133.72 160.62 37.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.852 -176.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.1 140.43 29.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' 1018 ' ' PRO . 20.7 tp -91.62 129.54 37.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.718 HD13 ' HB ' ' A' 1019 ' ' ILE . 4.0 mp -82.31 85.91 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.975 0.417 . . . . 0.0 110.686 175.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 146.48 -108.62 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.362 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -154.76 128.25 8.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.702 0.287 . . . . 0.0 110.739 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 79.2 p -79.86 41.63 0.51 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.279 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 85.0 p -175.42 151.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 985' ' ' ARG . . . -146.78 168.49 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -142.5 135.39 28.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.759 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 1.7 m -65.73 103.88 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 31.5 pt -121.41 125.85 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.184 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' 1006 ' ' LEU . 4.5 mp -83.25 130.75 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.877 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.0 p -100.13 16.75 23.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 140.19 -101.33 0.3 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 57.3 t30 -96.53 -4.52 41.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.783 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 6.9 t -128.78 155.09 45.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.48 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -124.89 133.32 53.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.2 p80 -145.77 -176.73 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1013 ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.99 153.84 18.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 33.6 t -93.81 33.71 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 9.8 t -132.99 140.9 48.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.33 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.463 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.0 OUTLIER -74.96 159.63 82.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.73 176.212 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1017 ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 7.2 Cg_endo -49.45 107.87 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.783 2.322 . . . . 0.0 112.186 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.749 ' HB2' HD11 ' A' ' 996' ' ' LEU . 58.5 Cg_endo -71.94 146.59 47.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.717 2.278 . . . . 0.0 112.55 -174.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.718 ' HB ' HD13 ' A' ' 997' ' ' ILE . 10.9 mt -132.02 164.57 34.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.642 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.486 ' N ' HG22 ' A' 1019 ' ' ILE . 48.6 t -105.35 122.25 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.746 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -46.56 16.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 -174.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.625 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 58.8 ttp180 65.12 112.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.179 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 3.4 pt -107.04 107.16 60.07 Favored Pre-proline 0 N--CA 1.451 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.189 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 122.541 2.16 . . . . 0.0 112.229 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.844 0.354 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 88.5 m -74.88 169.85 17.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.961 177.183 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 964' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 964' ' ' LYS . 0.3 OUTLIER -78.89 110.84 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 -179.521 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 61.1 p -59.41 135.79 88.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.13 112.76 1.32 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.64 2.227 . . . . 0.0 112.227 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.92 71.85 4.07 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.582 2.188 . . . . 0.0 112.391 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.4 t70 51.65 91.83 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.245 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.51 -154.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.838 2.359 . . . . 0.0 112.397 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.821 HG22 ' H ' ' A' ' 971' ' ' ASN . 3.1 p -55.56 -174.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.868 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.821 ' H ' HG22 ' A' ' 970' ' ' VAL . 12.5 m120 -42.38 -32.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 111.357 -176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.633 ' H ' HG13 ' A' ' 970' ' ' VAL . . . -70.13 111.11 3.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.581 176.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.86 146.32 54.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.819 0.342 . . . . 0.0 110.972 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.26 149.68 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -126.02 150.96 47.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 95.1 t -111.26 115.81 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.814 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.639 HG22 HG23 ' A' ' 978' ' ' THR . 50.4 mm -65.31 -51.28 66.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.28 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 978' ' ' THR . . . . . 0.639 HG23 HG22 ' A' ' 977' ' ' ILE . 54.1 p -140.49 -65.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.305 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -144.79 -173.34 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.475 HG23 ' HZ2' ' A' 1013 ' ' TRP . 27.6 mm -123.87 65.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.697 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -122.82 165.17 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.703 -177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 982' ' ' VAL . . . . . 0.429 ' HA ' ' HB3' ' A' 1004 ' ' CYS . 4.6 p -64.05 120.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.964 177.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 106.88 -11.4 41.35 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.465 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 52.4 m -93.5 142.92 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.757 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' 1002 ' ' ALA . 60.7 ttp180 -119.1 121.62 40.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.995 -177.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.504 ' HA ' HG12 ' A' ' 977' ' ' ILE . 42.2 pt -94.29 175.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 175.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 76.1 p -133.99 133.04 40.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.348 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -95.94 152.24 18.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.597 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.7 m -147.93 133.51 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.057 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 990' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 994' ' ' HIS . 95.3 m -84.73 172.21 11.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.021 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 22.8 p -62.16 -76.61 0.06 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.51 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 28.2 m -120.1 74.65 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 56.66 86.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.862 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.545 ' HB2' ' SG ' ' A' ' 990' ' ' CYS . 15.9 m-70 -127.6 136.03 51.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.728 0.299 . . . . 0.0 110.777 176.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -71.0 113.99 8.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 996' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.23 131.04 44.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.003 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.628 HD12 ' HB ' ' A' 1019 ' ' ILE . 1.7 mt -89.52 34.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.393 0.616 . . . . 0.0 110.553 177.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -160.7 -110.05 0.26 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.438 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 999' ' ' HIS . . . . . 0.509 ' HB2' HG21 ' A' 1015 ' ' THR . 1.5 t-80 -137.52 141.71 41.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 34.3 t -87.17 28.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.957 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 80.9 p -168.61 169.9 9.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.64 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -163.35 155.4 17.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.67 133.94 45.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.989 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1004 ' ' CYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 52.5 t -64.24 96.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.827 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 33.9 pt -99.73 -178.41 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.413 -176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 7.2 mt 54.03 -171.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.388 -175.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 58.4 m -172.87 -178.71 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.787 -170.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 63.34 -126.08 35.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.681 176.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -74.17 -6.28 46.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.916 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1010 ' ' THR . . . . . 0.474 HG22 ' H ' ' A' 1011 ' ' ALA . 3.9 m -125.24 162.4 24.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.474 ' H ' HG22 ' A' 1010 ' ' THR . . . 173.5 118.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.69 -170.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 3.2 p80 -167.38 171.7 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.855 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.64 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 80.9 m95 -92.03 145.27 24.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.778 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 52.2 m -52.85 -70.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -173.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1015 ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 999' ' ' HIS . 79.0 p -82.0 138.97 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -57.56 155.64 19.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.917 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.07 107.43 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.74 2.293 . . . . 0.0 112.47 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.69 156.64 26.56 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.65 2.234 . . . . 0.0 112.42 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 997' ' ' ILE . 10.4 mt -127.57 162.86 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.671 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.457 ' N ' HG22 ' A' 1019 ' ' ILE . 70.0 m -107.6 107.86 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -68.83 -24.08 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.988 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.543 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 57.3 ttp180 63.86 115.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1023 ' ' ILE . . . . . 0.662 ' HB ' ' HD3' ' A' 1024 ' ' PRO . 64.1 mt -95.18 -51.65 0.24 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.533 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1024 ' ' PRO . . . . . 0.662 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 48.9 Cg_exo . . . . . 0 C--O 1.248 1.024 0 C-N-CA 122.325 2.016 . . . . 0.0 112.315 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.755 0.312 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 1.7 p -81.58 152.98 26.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -166.33 78.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.365 -175.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 965' ' ' THR . . . . . 0.813 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 91.0 m -112.67 -55.14 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.009 -170.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.813 ' HD2' ' H ' ' A' ' 965' ' ' THR . 22.2 Cg_endo -61.11 106.99 0.42 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.674 2.249 . . . . 0.0 112.533 -171.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 967' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 965' ' ' THR . 73.0 Cg_endo -89.82 55.7 1.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.944 2.43 . . . . 0.0 112.235 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 8.8 t70 55.34 94.82 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.41 144.46 18.11 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.815 2.343 . . . . 0.0 112.598 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.41 128.78 18.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.022 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 991' ' ' THR . 78.2 m-20 52.81 78.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.722 -176.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 140.41 -159.13 26.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.524 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.6 ptm -164.05 148.75 10.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 0.0 111.026 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.1 p -95.8 145.72 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.016 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -117.94 123.17 45.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.001 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.74 139.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 49.6 mm -57.61 -73.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.131 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 60.8 m -140.74 -41.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -139.18 176.35 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.651 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 30.6 mt -125.0 68.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.018 0.437 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -125.3 -177.76 3.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.762 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.72 140.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.088 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 90.71 -17.69 53.61 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 50.2 m -73.12 151.64 41.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.741 0.305 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 985' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 1002 ' ' ALA . 40.3 ttm180 -138.67 88.9 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 34.9 pt -77.57 171.36 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 73.4 p -132.4 140.24 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.323 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -101.94 143.33 31.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.687 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 51.6 m -119.6 -36.98 3.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.351 -174.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 42.7 t 62.24 163.92 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.547 HG23 ' ND1' ' A' ' 994' ' ' HIS . 4.4 t -58.12 144.32 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.054 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 5.7 t -56.11 137.46 51.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.274 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 89.51 15.21 58.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.391 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.547 ' ND1' HG23 ' A' ' 991' ' ' THR . 51.8 m80 -136.66 118.67 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 111.0 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -94.69 114.15 26.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.701 176.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 996' ' ' LEU . 3.0 pp -57.51 154.45 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -176.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 40.5 mm -127.95 90.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.054 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 998' ' ' GLY . . . . . 0.569 ' HA3' ' HD3' ' A' 1016 ' ' LYS . . . 137.88 -46.1 1.02 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.89 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 999' ' ' HIS . . . . . 0.492 ' CD2' ' HA ' ' A' 1018 ' ' PRO . 3.8 m-70 -68.6 -77.81 0.07 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -172.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1000 ' ' SER . . . . . 0.43 ' H ' HD13 ' A' ' 996' ' ' LEU . 96.3 p 51.08 54.61 10.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.429 -174.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1001 ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' 1000 ' ' SER . 43.7 t 67.52 158.34 0.14 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.987 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.487 ' HB2' HG23 ' A' 1015 ' ' THR . . . -142.24 -179.16 6.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.264 -175.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -139.96 122.4 16.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.741 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.6 t -60.26 99.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 40.3 pt -122.18 132.82 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.617 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.5 mp -84.07 143.47 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.2 p -140.3 23.07 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 162.17 -124.06 1.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 58.1 t30 -92.39 -5.25 52.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.786 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 58.2 m -142.02 141.84 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.617 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -87.88 131.52 34.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -124.47 159.39 30.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.488 ' CD1' ' HB ' ' A' ' 965' ' ' THR . 62.5 m95 -88.83 155.05 19.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.6 m -82.2 37.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.291 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1015 ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' 1002 ' ' ALA . 43.2 p -138.81 128.79 25.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.917 0.389 . . . . 0.0 111.412 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.596 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.0 OUTLIER -61.38 165.73 6.47 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.733 175.8 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1017 ' ' PRO . . . . . 0.596 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 70.6 Cg_exo -38.97 134.96 0.89 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.774 2.316 . . . . 0.0 112.757 178.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.492 ' HA ' ' CD2' ' A' ' 999' ' ' HIS . 31.9 Cg_exo -59.88 142.06 97.84 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.776 2.317 . . . . 0.0 112.792 -171.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' 1020 ' ' CYS . 12.0 mt -135.8 163.71 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.571 173.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 94.6 m -146.45 133.54 20.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.951 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -113.03 121.8 45.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -60.6 127.41 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 63.6 mt -88.25 112.81 52.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.499 2.133 . . . . 0.0 112.318 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.694 0.283 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 963' ' ' CYS . . . . . 0.588 ' HB2' HG22 ' A' ' 980' ' ' ILE . 55.5 m -94.92 133.57 38.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.841 -178.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -84.1 99.54 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 965' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 965' ' ' THR . 0.0 OUTLIER -57.07 149.49 45.4 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.659 -176.579 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.613 ' HG2' HG11 ' A' ' 974' ' ' VAL . 72.5 Cg_endo -75.45 142.72 26.86 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.976 2.451 . . . . 0.0 112.363 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.93 145.22 35.63 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.583 2.189 . . . . 0.0 112.276 177.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.31 119.17 70.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 969' ' ' PRO . . . . . 0.521 ' HG3' ' HE1' ' A' ' 988' ' ' TYR . 71.6 Cg_endo -76.85 -166.25 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.597 2.198 . . . . 0.0 112.453 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 11.5 p -72.27 136.7 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 991' ' ' THR . 65.9 m-20 54.12 20.69 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.081 177.402 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 990' ' ' CYS . . . -135.72 158.44 23.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.749 -174.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.8 ptm -155.47 128.67 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.71 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 974' ' ' VAL . . . . . 0.613 HG11 ' HG2' ' A' ' 966' ' ' PRO . 9.9 m -71.76 175.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.373 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 975' ' ' HIS . . . . . 0.51 ' HB3' ' OG1' ' A' ' 987' ' ' THR . 29.1 t60 -147.68 92.77 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.816 -178.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 976' ' ' VAL . . . . . 0.59 ' HA ' HG22 ' A' ' 986' ' ' ILE . 7.7 m -72.05 135.29 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 50.7 mm -51.45 -71.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.069 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 59.4 m -146.49 -33.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.71 -179.54 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.689 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.588 HG22 ' HB2' ' A' ' 963' ' ' CYS . 26.6 mt -119.77 63.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.05 0.452 . . . . 0.0 110.787 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -117.82 151.3 37.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.853 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 6.0 p -59.14 128.05 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 116.56 -20.04 12.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.428 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 81.1 p -82.07 -179.46 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 0.0 110.807 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -147.93 86.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.992 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.59 HG22 ' HA ' ' A' ' 976' ' ' VAL . 44.6 pt -70.65 172.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 176.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 987' ' ' THR . . . . . 0.51 ' OG1' ' HB3' ' A' ' 975' ' ' HIS . 82.4 p -123.72 172.23 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 111.273 -177.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.521 ' HE1' ' HG3' ' A' ' 969' ' ' PRO . 0.7 OUTLIER -140.11 92.99 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.644 -175.637 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 79.0 p -114.29 130.39 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.2 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 990' ' ' CYS . . . . . 0.429 ' HA ' ' HA2' ' A' ' 972' ' ' GLY . 77.1 m -88.51 -169.89 2.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.667 173.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.497 HG23 ' ND1' ' A' ' 994' ' ' HIS . 3.3 t -72.77 149.8 43.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 62.1 m -58.95 106.82 0.45 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 993' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . 125.51 6.65 6.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.438 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 991' ' ' THR . 32.4 m80 -133.75 108.24 8.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 110.813 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.553 ' NH1' HG13 ' A' ' 997' ' ' ILE . 0.0 OUTLIER -77.86 146.0 35.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.008 -178.253 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.761 HD13 ' HA ' ' A' 1000 ' ' SER . 2.3 mt -79.53 141.46 36.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.089 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.847 HD13 ' HB ' ' A' 1019 ' ' ILE . 3.6 mp -105.42 63.7 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.532 171.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -165.28 -118.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.677 -176.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -111.01 -20.34 12.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.727 0.299 . . . . 0.0 111.328 -173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1000 ' ' SER . . . . . 0.761 ' HA ' HD13 ' A' ' 996' ' ' LEU . 34.9 t 59.69 19.24 7.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 35.5 t -173.33 178.39 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.435 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -157.04 151.68 25.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.882 0.372 . . . . 0.0 111.466 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -145.5 115.9 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 44.6 t -64.27 105.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -174.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 27.8 pt -100.39 -171.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.296 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 30.5 mt 57.0 -173.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.108 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 74.9 m -169.81 175.13 5.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.016 -170.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 59.99 -124.96 37.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.554 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.87 -21.06 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.41 . . . . 0.0 110.836 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.5 153.51 19.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.261 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . 179.99 101.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.562 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 58.1 m80 -138.46 168.0 20.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.996 -170.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1013 ' ' TRP . . . . . . . . . . . . . 82.8 m95 -105.44 130.65 53.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.663 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 51.2 m -60.63 -16.27 36.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.46 -170.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 8.1 t -84.95 141.72 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 0.0 111.461 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1016 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 151.51 55.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.42 172.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.09 104.07 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.619 2.213 . . . . 0.0 112.042 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.478 ' O ' HD13 ' A' 1019 ' ' ILE . 84.8 Cg_endo -82.25 178.6 6.16 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.679 2.253 . . . . 0.0 112.493 -173.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.847 ' HB ' HD13 ' A' ' 997' ' ' ILE . 12.5 mm -125.29 163.0 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.459 ' N ' HG22 ' A' 1019 ' ' ILE . 37.3 m -114.06 78.77 1.18 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.727 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -96.95 136.28 37.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 993' ' ' GLY . 58.3 ttp180 -60.62 132.24 53.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1023 ' ' ILE . . . . . 0.45 HG12 ' HB3' ' A' ' 995' ' ' ARG . 63.0 mt -62.7 125.98 87.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 -178.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.25 1.083 0 C-N-CA 122.538 2.159 . . . . 0.0 112.297 179.619 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.787 0.327 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 963' ' ' CYS . . . . . 0.434 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 86.6 m -95.79 127.03 41.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.94 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -75.22 128.87 36.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 965' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 966' ' ' PRO . 58.3 p -53.83 135.85 55.92 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.03 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 965' ' ' THR . 15.7 Cg_exo -68.03 135.85 36.16 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.649 2.233 . . . . 0.0 112.225 -174.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.84 123.99 10.98 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.546 2.164 . . . . 0.0 112.148 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 968' ' ' ASP . . . . . 0.472 ' OD1' ' HA ' ' A' ' 973' ' ' MET . 9.3 m-20 -63.56 111.12 4.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -177.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.37 -168.81 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.63 2.22 . . . . 0.0 112.167 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.92 127.35 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.054 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 991' ' ' THR . 79.1 m-20 50.14 49.02 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.17 163.99 28.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.597 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 973' ' ' MET . . . . . 0.472 ' HA ' ' OD1' ' A' ' 968' ' ' ASP . 0.0 OUTLIER -163.99 140.74 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.994 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 974' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 986' ' ' ILE . 9.8 p -95.82 147.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -79.14 -47.28 16.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.249 -173.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 73.3 t 54.51 97.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.037 0.446 . . . . 0.0 111.003 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.16 -68.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.382 -175.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 62.8 m -156.54 -67.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.304 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 979' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 981' ' ' GLN . 9.7 m-20 -101.6 131.78 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.997 -175.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 980' ' ' ILE . 18.3 mt -87.5 2.0 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.68 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 981' ' ' GLN . . . . . 0.459 ' HG2' ' HB3' ' A' ' 979' ' ' ASP . 19.7 pt20 -57.73 147.47 27.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.939 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 982' ' ' VAL . . . . . 0.427 ' HA ' ' HB3' ' A' 1004 ' ' CYS . 7.7 p -59.42 134.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 115.93 -10.48 18.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.422 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 46.8 t -91.71 166.84 12.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -140.24 91.05 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.447 HD12 HG21 ' A' ' 974' ' ' VAL . 34.1 pt -78.61 169.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 67.5 p -117.95 154.07 32.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.481 ' HB3' ' HA ' ' A' 1000 ' ' SER . 1.0 OUTLIER -129.48 138.16 51.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.769 -174.632 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 989' ' ' SER . . . . . 0.673 ' HA ' HD11 ' A' ' 996' ' ' LEU . 89.9 p -159.87 152.6 21.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.174 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 990' ' ' CYS . . . . . 0.477 ' SG ' ' HG ' ' A' ' 996' ' ' LEU . 71.1 m -94.4 -169.46 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.738 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 971' ' ' ASN . 20.4 p -62.69 176.24 0.7 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.386 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 75.7 m -63.92 116.6 5.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 993' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . 90.93 23.26 30.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' A' ' 990' ' ' CYS . 56.0 m80 -137.02 116.85 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.829 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 995' ' ' ARG . . . . . 0.7 ' HB2' HD11 ' A' 1023 ' ' ILE . 96.4 mtt180 -112.5 135.3 53.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.035 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' A' ' 989' ' ' SER . 2.3 mp -70.42 149.27 47.43 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.932 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 20.8 mm -96.66 55.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.521 172.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -154.03 -119.76 0.74 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.704 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -107.24 -32.5 7.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.619 0.247 . . . . 0.0 111.261 -173.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1000 ' ' SER . . . . . 0.481 ' HA ' ' HB3' ' A' ' 988' ' ' TYR . 90.6 p 49.1 29.42 2.49 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.031 -175.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 70.3 m -164.29 118.97 1.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -109.99 148.05 32.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.382 -174.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -141.29 120.83 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.713 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1004 ' ' CYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 44.2 t -62.14 113.99 3.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.1 pt -136.77 153.87 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.354 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.473 HD23 ' HB2' ' A' 1011 ' ' ALA . 60.6 mt -95.5 135.73 36.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.6 p -115.36 -41.29 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -150.59 -71.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.561 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.0 p30 -140.0 2.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 72.4 m -144.8 104.83 4.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.473 ' HB2' HD23 ' A' 1006 ' ' LEU . . . -60.45 137.76 58.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.9 p80 -147.07 173.74 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.798 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.669 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 64.8 m95 -86.91 145.62 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.8 m -66.35 -5.21 9.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 62.4 p -86.41 103.73 15.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.431 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.427 ' O ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -61.88 160.48 28.31 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 171.426 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1017 ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 5.6 Cg_endo -47.85 102.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.859 2.373 . . . . 0.0 112.218 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.614 ' HB2' HD23 ' A' ' 996' ' ' LEU . 97.2 Cg_endo -85.12 169.43 10.07 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.759 2.306 . . . . 0.0 112.703 -172.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' 1020 ' ' CYS . 10.5 mt -129.59 163.29 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.58 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.466 ' N ' HG22 ' A' 1019 ' ' ILE . 72.4 m -115.66 119.28 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.836 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.22 112.02 17.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 993' ' ' GLY . 38.9 ttm180 -55.7 134.27 51.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 177.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1023 ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 995' ' ' ARG . 21.9 mm -87.71 -50.7 0.42 Allowed Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.601 -174.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1024 ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' 1023 ' ' ILE . 55.7 Cg_endo . . . . . 0 C--O 1.25 1.123 0 C-N-CA 122.135 1.89 . . . . 0.0 112.277 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.901 0.381 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 35.2 m -87.39 155.69 19.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.869 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -166.07 110.07 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 965' ' ' THR . . . . . 0.674 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 96.0 m -160.41 -55.98 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.988 -172.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.674 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 33.3 Cg_exo -61.04 122.53 11.33 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.548 2.166 . . . . 0.0 112.522 -169.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.75 176.73 1.19 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.613 2.209 . . . . 0.0 112.008 173.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 968' ' ' ASP . . . . . 0.721 ' HA ' HG11 ' A' ' 974' ' ' VAL . 4.4 p-10 -106.99 100.49 32.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.131 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 969' ' ' PRO . . . . . 0.767 ' HD2' ' HB ' ' A' ' 974' ' ' VAL . 66.1 Cg_exo -51.24 145.06 27.99 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.31 141.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.245 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 57.18 58.37 3.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 972' ' ' GLY . . . . . 0.549 ' HA3' ' HA ' ' A' ' 990' ' ' CYS . . . 163.99 153.55 7.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.762 177.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.1 ptp -83.93 159.02 21.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.73 0.3 . . . . 0.0 110.792 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 974' ' ' VAL . . . . . 0.767 ' HB ' ' HD2' ' A' ' 969' ' ' PRO . 7.4 p -139.64 146.91 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.464 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 975' ' ' HIS . . . . . 0.607 ' HD2' ' HB2' ' A' ' 966' ' ' PRO . 16.5 p80 40.82 -163.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.311 177.011 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 976' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 976' ' ' VAL . 71.0 t 44.49 85.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.227 -169.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 44.4 mm -95.85 -41.92 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.713 171.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 978' ' ' THR . . . . . 0.509 HG22 ' OD2' ' A' ' 979' ' ' ASP . 50.4 m -155.66 -43.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.677 175.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 979' ' ' ASP . . . . . 0.509 ' OD2' HG22 ' A' ' 978' ' ' THR . 10.7 m-20 -153.3 122.62 6.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.463 HG22 HG21 ' A' ' 986' ' ' ILE . 15.9 pt -105.32 41.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 981' ' ' GLN . . . . . 0.478 ' OE1' ' HB3' ' A' ' 979' ' ' ASP . 23.8 mp0 -89.94 -174.91 4.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.668 174.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.72 139.78 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.055 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 85.65 5.49 84.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.587 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 49.3 m -92.96 170.08 9.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.726 0.298 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -147.13 96.83 2.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 987' ' ' THR . 2.7 pp -89.99 -168.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.069 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 987' ' ' THR . . . . . 0.469 ' N ' HD12 ' A' ' 986' ' ' ILE . 33.6 p -151.04 151.88 32.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.267 -173.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -102.06 116.53 32.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.662 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 56.8 m -90.3 -70.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 -174.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 990' ' ' CYS . . . . . 0.549 ' HA ' ' HA3' ' A' ' 972' ' ' GLY . 18.7 t 62.77 156.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 2.0 t -62.8 141.41 58.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.244 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 59.5 m -55.17 130.6 42.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.241 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 113.65 -37.14 3.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.332 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.547 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 0.4 OUTLIER -77.57 104.31 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.851 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -76.12 125.61 29.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' 1019 ' ' ILE . 73.0 mt -72.71 134.5 45.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.912 HD11 ' HB2' ' A' 1021 ' ' GLN . 4.0 mp -98.78 71.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 172.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 998' ' ' GLY . . . . . 0.493 ' HA3' ' HB3' ' A' 1018 ' ' PRO . . . -170.05 -108.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.495 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -141.38 -13.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.776 -177.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 37.5 t 62.68 19.15 11.16 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.971 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 46.8 t -171.83 164.83 6.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.79 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -158.92 163.04 36.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.298 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -135.22 119.19 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.602 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1004 ' ' CYS . . . . . 0.517 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 47.2 t -73.82 101.04 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.99 -174.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.6 pt -116.71 148.29 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.136 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.509 ' H ' HD12 ' A' 1006 ' ' LEU . 5.4 mp -70.86 100.28 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 79.0 p -73.43 -19.79 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 178.2 -98.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.49 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -101.11 6.97 43.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 39.2 m -152.69 144.73 23.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.517 ' HB1' ' SG ' ' A' 1004 ' ' CYS . . . -78.51 113.84 16.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 -178.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -128.89 141.82 51.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.554 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 67.1 m95 -67.07 151.82 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.984 -177.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.7 m -68.34 -62.28 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 63.3 p -64.47 178.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.38 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.823 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -109.04 144.33 29.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.689 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.77 109.39 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.612 2.208 . . . . 0.0 112.469 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.493 ' HB3' ' HA3' ' A' ' 998' ' ' GLY . 63.8 Cg_endo -73.27 178.74 6.21 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.608 2.205 . . . . 0.0 112.244 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.828 HG23 HD13 ' A' ' 997' ' ' ILE . 5.3 tp -144.44 160.19 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 111.368 -177.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.609 ' N ' HG13 ' A' 1019 ' ' ILE . 83.2 m -94.92 103.98 15.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.748 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1021 ' ' GLN . . . . . 0.912 ' HB2' HD11 ' A' ' 997' ' ' ILE . 64.8 tt0 -64.96 -41.39 95.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 -176.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 62.07 113.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.042 -175.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1023 ' ' ILE . . . . . 0.441 ' O ' HD12 ' A' 1023 ' ' ILE . 1.3 pp -94.27 152.45 40.24 Favored Pre-proline 0 N--CA 1.454 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.237 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 122.566 2.177 . . . . 0.0 112.295 179.487 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.814 0.34 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 963' ' ' CYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 980' ' ' ILE . 60.8 m -94.18 134.65 36.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -59.35 110.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 30.1 p -68.68 145.38 96.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.112 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 966' ' ' PRO . . . . . 0.425 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 74.5 Cg_endo -77.09 138.87 18.6 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.647 2.231 . . . . 0.0 112.567 -175.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.89 156.08 52.84 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.59 2.193 . . . . 0.0 112.167 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -58.03 111.54 3.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.045 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.91 153.08 59.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.613 2.209 . . . . 0.0 112.322 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.05 129.31 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 971' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 991' ' ' THR . 13.6 m120 53.83 28.09 7.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -177.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -144.07 -172.67 14.93 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.0 ptp -166.62 130.9 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.954 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 974' ' ' VAL . . . . . 0.475 HG21 HD12 ' A' ' 986' ' ' ILE . 8.6 p -85.08 143.69 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.925 177.519 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -88.1 -41.49 13.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.238 -172.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 976' ' ' VAL . . . . . 0.406 ' HA ' ' CG2' ' A' ' 986' ' ' ILE . 87.5 t 49.89 88.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.973 0.416 . . . . 0.0 110.948 -175.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 977' ' ' ILE . . . . . 0.731 HG22 HG23 ' A' ' 978' ' ' THR . 3.2 mp -67.61 -71.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.221 -173.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 978' ' ' THR . . . . . 0.731 HG23 HG22 ' A' ' 977' ' ' ILE . 71.9 p -107.21 -58.25 1.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.315 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -144.06 -168.43 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.6 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 980' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 963' ' ' CYS . 1.5 pp -144.33 31.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -177.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -115.88 -166.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.681 176.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.91 130.97 25.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.24 -8.76 77.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 60.3 p -105.45 124.57 49.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.339 . . . . 0.0 110.987 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -106.18 124.84 50.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 986' ' ' ILE . . . . . 0.501 ' HA ' HD13 ' A' ' 977' ' ' ILE . 35.4 pt -110.67 173.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 175.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 68.2 p -131.11 143.02 50.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.35 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 988' ' ' TYR . . . . . 0.425 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 64.2 m-85 -109.81 150.13 28.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.735 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 55.3 m -151.42 130.35 12.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 44.3 t -110.79 172.12 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 991' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 971' ' ' ASN . 10.7 p -58.49 150.14 23.45 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.267 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 6.3 t -64.57 139.11 58.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.305 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 91.29 17.92 48.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.33 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 994' ' ' HIS . . . . . 0.415 ' CD2' ' HA ' ' A' 1022 ' ' ARG . 14.2 m80 -130.4 140.24 50.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 110.764 -177.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -91.71 110.0 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 996' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 997' ' ' ILE . 2.1 tm? -66.38 130.28 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 997' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' 1018 ' ' PRO . 77.6 mt -98.75 126.11 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.761 174.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 998' ' ' GLY . . . . . 0.742 ' HA2' ' HD3' ' A' 1016 ' ' LYS . . . 132.05 -103.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.34 -172.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -165.58 17.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 110.995 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1000 ' ' SER . . . . . 0.429 ' H ' HD12 ' A' ' 996' ' ' LEU . 36.5 t 56.21 15.47 1.9 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.176 -178.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 45.6 t -171.76 160.12 5.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1002 ' ' ALA . . . . . 0.806 ' HB2' HG23 ' A' 1015 ' ' THR . . . -148.92 146.26 27.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 111.565 -176.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -136.07 119.98 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.295 170.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 36.0 t -53.64 98.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1005 ' ' ILE . . . . . 0.566 HD13 ' HG ' ' A' 1006 ' ' LEU . 1.7 pp -89.18 -170.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.718 -174.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1006 ' ' LEU . . . . . 0.566 ' HG ' HD13 ' A' 1005 ' ' ILE . 28.7 mt 61.79 -82.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.021 -172.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 38.6 m 56.68 26.32 11.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 111.04 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -122.46 -97.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.193 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 7.6 p30 -78.41 -7.32 57.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.403 . . . . 0.0 110.55 173.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1010 ' ' THR . . . . . 0.756 HG22 ' H ' ' A' 1011 ' ' ALA . 0.6 OUTLIER -152.93 -172.99 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.492 177.7 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1011 ' ' ALA . . . . . 0.756 ' H ' HG22 ' A' 1010 ' ' THR . . . -176.44 117.77 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.088 -174.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 9.4 p80 -163.58 174.63 11.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1013 ' ' TRP . . . . . 0.496 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 87.2 m95 -90.58 152.17 21.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 82.6 p -81.25 -3.76 53.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.312 -172.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1015 ' ' THR . . . . . 0.806 HG23 ' HB2' ' A' 1002 ' ' ALA . 21.0 p -79.66 151.74 30.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.238 178.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1016 ' ' LYS . . . . . 0.748 ' HB3' ' HD2' ' A' 1018 ' ' PRO . 13.0 mptt -92.38 141.15 24.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1017 ' ' PRO . . . . . 0.431 ' HB2' ' HD3' ' A' 1018 ' ' PRO . 75.8 Cg_exo -47.07 -45.84 20.41 Favored 'Trans proline' 0 CA--C 1.535 0.536 0 C-N-CA 122.672 2.248 . . . . 0.0 113.196 175.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1018 ' ' PRO . . . . . 0.748 ' HD2' ' HB3' ' A' 1016 ' ' LYS . 95.6 Cg_exo -43.13 -47.7 8.42 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.356 2.037 . . . . 0.0 112.845 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1019 ' ' ILE . . . . . 0.809 HG13 ' H ' ' A' 1020 ' ' CYS . 6.3 tp 46.28 -161.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.25 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1020 ' ' CYS . . . . . 0.809 ' H ' HG13 ' A' 1019 ' ' ILE . 52.9 t -35.36 125.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.269 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -92.66 -35.53 13.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -170.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1022 ' ' ARG . . . . . 0.415 ' HA ' ' CD2' ' A' ' 994' ' ' HIS . 55.7 ttp180 63.0 113.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 7.3 pt -101.1 144.71 29.1 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo . . . . . 0 C--O 1.25 1.102 0 C-N-CA 122.559 2.173 . . . . 0.0 112.321 179.01 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 958' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 960' ' ' ALA . . . -132.94 143.88 49.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 69.24 -8.47 0.7 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.22 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 960' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 981' ' ' GLN . . . 59.81 -177.87 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.318 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 980' ' ' ILE . 39.7 ttpt 62.11 115.64 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.137 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 40.3 t -159.1 -8.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 89.0 m -95.87 126.8 41.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.056 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -74.44 130.85 40.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 70.8 p -60.79 134.49 92.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.161 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.465 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 60.5 Cg_endo -72.52 148.9 48.81 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.76 146.49 78.71 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.59 2.194 . . . . 0.0 112.2 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.08 115.25 11.33 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.37 155.83 23.76 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.36 131.51 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.5 ' O ' HG23 ' A' ' 991' ' ' THR . 78.0 m-20 53.5 30.5 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.971 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -151.56 -170.88 18.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 25.1 ptm -161.52 141.91 10.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.68 144.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -122.29 131.02 53.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.43 130.95 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.737 HG12 ' HA ' ' A' ' 986' ' ' ILE . 51.0 mm -76.12 -47.93 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.195 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 978' ' ' THR . . . . . 0.539 HG23 HG22 ' A' ' 977' ' ' ILE . 47.9 p -142.53 -63.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.263 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -148.62 171.22 16.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.756 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 961' ' ' LYS . 8.3 mt -96.99 32.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.751 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 981' ' ' GLN . . . . . 0.466 ' HB3' ' HB1' ' A' ' 960' ' ' ALA . 76.7 mt-30 -85.5 144.44 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.878 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 982' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' 1004 ' ' CYS . 7.0 p -58.04 133.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 105.51 -7.11 42.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.465 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 52.2 m -86.67 178.18 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -148.83 91.08 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.972 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.737 ' HA ' HG12 ' A' ' 977' ' ' ILE . 39.8 pt -76.96 179.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 987' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 988' ' ' TYR . 4.1 m -136.88 164.06 29.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.025 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.482 ' HE1' ' HB2' ' A' 1002 ' ' ALA . 87.3 m-85 -123.13 157.1 33.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.785 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 30.6 t -141.47 173.66 11.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.016 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 35.8 t -159.07 171.77 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.56 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 971' ' ' ASN . 14.0 p -56.56 146.78 23.98 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.191 178.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 63.7 m -60.99 118.0 6.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 116.7 -9.69 16.46 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.569 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 3.4 m80 -107.22 120.06 41.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.681 0.277 . . . . 0.0 110.828 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -82.51 139.98 33.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.786 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' 1018 ' ' PRO . 1.2 tm? -71.35 113.64 8.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 29.5 mm -82.72 70.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.772 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -178.57 -120.73 0.67 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.557 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -122.44 -11.1 8.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 111.049 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 49.2 m 60.0 25.95 15.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.681 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 94.2 p -163.39 172.18 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.785 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.482 ' HB2' ' HE1' ' A' ' 988' ' ' TYR . . . -152.07 160.94 43.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -145.25 113.34 6.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1004 ' ' CYS . . . . . 0.406 ' O ' HG23 ' A' ' 982' ' ' VAL . 52.8 t -63.32 99.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 40.1 pt -124.17 139.84 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.573 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.3 mp -85.95 125.16 33.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.803 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 81.2 p -93.92 18.08 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 131.54 -89.43 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.445 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -111.71 8.57 20.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.808 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 61.9 m -148.11 119.73 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.049 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.573 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -91.25 132.53 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.197 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.2 p80 -147.23 173.25 12.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.464 ' NE1' ' HD3' ' A' ' 966' ' ' PRO . 67.6 m95 -85.15 133.86 34.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.773 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.8 t -65.89 -17.06 64.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.333 -172.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 9.2 t -91.58 138.12 31.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 111.352 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.648 ' HD3' ' H ' ' A' 1016 ' ' LYS . 0.3 OUTLIER -75.51 157.61 84.24 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.612 174.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1017 ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.0 Cg_endo -50.61 107.4 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.746 2.297 . . . . 0.0 112.293 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.432 ' HB3' HD21 ' A' ' 996' ' ' LEU . 35.2 Cg_exo -58.3 150.33 67.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.696 2.264 . . . . 0.0 112.517 -175.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' 1020 ' ' CYS . 11.5 mm -123.69 165.11 20.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.703 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.569 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 69.7 m -124.03 116.4 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.657 177.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -83.78 -17.08 42.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.299 -170.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 63.16 114.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.975 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 59.9 mt -115.22 126.66 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.037 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.574 2.183 . . . . 0.0 112.347 179.528 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -92.99 21.49 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -98.03 138.84 34.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -146.47 96.63 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.089 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.445 ' HE3' HG12 ' A' ' 982' ' ' VAL . 21.3 ptmt -100.87 -163.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.1 t 61.25 82.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.898 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 92.0 m -61.32 164.95 4.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.956 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 964' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 964' ' ' LYS . 13.6 mptt -72.64 -168.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.419 172.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 965' ' ' THR . . . . . 0.522 HG22 HD13 ' A' ' 980' ' ' ILE . 43.0 p -114.54 133.82 22.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.106 178.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.8 147.78 94.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.741 2.294 . . . . 0.0 112.215 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.23 137.31 47.23 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.646 2.23 . . . . 0.0 112.143 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.96 113.77 7.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.43 144.3 84.08 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.632 2.221 . . . . 0.0 112.241 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.424 HG22 ' OD1' ' A' ' 971' ' ' ASN . 8.0 p -63.21 136.15 26.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 178.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.424 ' OD1' HG22 ' A' ' 970' ' ' VAL . 2.6 m-20 53.55 22.44 2.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.6 -162.78 10.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.549 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -165.78 148.46 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.848 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.4 142.57 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -107.4 112.32 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.139 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 27.0 t -83.83 94.28 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.565 172.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 987' ' ' THR . 61.8 mt -60.25 -70.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.534 -173.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 978' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 979' ' ' ASP . 0.1 OUTLIER -112.65 -91.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.441 -176.509 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 979' ' ' ASP . . . . . 0.684 ' H ' HG23 ' A' ' 978' ' ' THR . 11.1 m-20 -122.36 -179.39 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.833 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.522 HD13 HG22 ' A' ' 965' ' ' THR . 28.0 mt -120.29 65.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -120.51 178.86 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.809 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 982' ' ' VAL . . . . . 0.445 HG12 ' HE3' ' A' ' 961' ' ' LYS . 7.5 p -66.27 136.35 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.042 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 95.76 -27.74 15.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.608 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 41.2 t -67.93 157.33 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.464 ' O ' HD12 ' A' ' 977' ' ' ILE . 61.2 ttp180 -139.24 111.11 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.003 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 43.8 pt -92.1 172.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 987' ' ' THR . . . . . 0.5 HG23 HD11 ' A' ' 977' ' ' ILE . 66.6 p -128.58 142.9 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.25 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -99.75 170.01 8.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 94.8 p -161.54 164.57 29.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 15.8 t -149.99 172.03 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 1.8 t -54.78 140.52 35.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 3.7 t -55.84 125.63 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.33 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 120.4 -62.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.419 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.551 ' HA ' HG12 ' A' 1023 ' ' ILE . 0.5 OUTLIER -56.85 136.8 55.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 110.973 -177.632 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.719 ' HG2' HD11 ' A' 1023 ' ' ILE . 28.8 mmm180 -84.1 138.1 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.958 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' 1018 ' ' PRO . 1.9 tm? -78.09 121.47 24.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.61 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' 1021 ' ' GLN . 34.6 mm -88.74 81.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 164.92 -114.09 0.58 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.431 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -150.17 9.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.805 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 94.7 p 48.7 29.18 2.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.294 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 47.9 t -164.78 161.6 20.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.776 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -156.68 159.09 38.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -135.25 129.63 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 53.0 t -69.27 104.1 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 39.5 pt -134.21 151.86 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.249 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 56.6 mt -88.44 99.83 12.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 56.0 m -104.17 14.17 30.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -178.51 -132.14 1.68 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 55.9 t30 -91.79 -7.51 49.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.377 . . . . 0.0 110.87 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 46.3 m -140.86 140.83 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.055 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.74 115.42 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -129.29 172.84 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.776 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 69.4 m95 -82.72 143.65 30.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.802 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.8 t -55.58 -68.98 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 67.7 p -63.69 139.65 58.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.44 -175.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.539 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -63.67 156.34 72.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.728 176.19 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -48.21 108.24 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.546 ' HB3' HD11 ' A' ' 996' ' ' LEU . 33.8 Cg_exo -58.45 151.1 63.81 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.673 2.248 . . . . 0.0 112.434 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' 1020 ' ' CYS . 12.9 mm -121.58 164.24 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.645 177.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.478 ' N ' HG22 ' A' 1019 ' ' ILE . 84.7 m -109.2 92.65 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.037 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1021 ' ' GLN . . . . . 0.606 ' HB2' HD11 ' A' ' 997' ' ' ILE . 57.9 tp60 -66.58 99.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -56.89 139.92 50.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1023 ' ' ILE . . . . . 0.719 HD11 ' HG2' ' A' ' 995' ' ' ARG . 29.9 mm -108.08 -51.6 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.618 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1024 ' ' PRO . . . . . 0.67 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 38.2 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 122.244 1.963 . . . . 0.0 112.266 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.755 0.312 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 56.86 86.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -83.13 110.95 18.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -84.7 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -134.75 142.57 46.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.762 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 78.3 p -153.4 -35.64 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.405 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 963' ' ' CYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 980' ' ' ILE . 72.8 m -91.69 130.33 37.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.057 0.456 . . . . 0.0 111.265 -173.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -158.02 71.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.184 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 965' ' ' THR . . . . . 0.672 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 99.3 m -122.04 -56.77 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.263 -166.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.672 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 77.5 Cg_exo -51.98 106.96 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.722 2.282 . . . . 0.0 112.925 -167.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -84.83 -162.6 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.782 2.321 . . . . 0.0 112.133 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.06 113.74 38.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.719 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.1 152.78 76.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.514 2.143 . . . . 0.0 112.327 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.4 129.63 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 46.15 66.52 0.93 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 162.28 -160.57 32.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.563 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 973' ' ' MET . . . . . 0.404 ' HG3' ' NE2' ' A' ' 975' ' ' HIS . 22.7 ptp -153.67 141.14 19.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.4 p -82.74 140.84 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 975' ' ' HIS . . . . . 0.404 ' NE2' ' HG3' ' A' ' 973' ' ' MET . 77.6 m-70 -117.67 103.8 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -175.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 976' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 976' ' ' VAL . 4.3 p -80.95 110.87 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 173.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.769 HD11 HG23 ' A' ' 987' ' ' THR . 66.1 mt -59.27 -39.37 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.512 -172.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 978' ' ' THR . . . . . 0.524 HG22 ' OD2' ' A' ' 979' ' ' ASP . 26.1 m -157.0 -50.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.167 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 979' ' ' ASP . . . . . 0.524 ' OD2' HG22 ' A' ' 978' ' ' THR . 12.5 m-20 -146.3 -167.63 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.541 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 963' ' ' CYS . 3.1 pt -147.36 34.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.9 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -95.1 -178.24 4.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.909 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.44 137.58 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 83.26 -13.13 47.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.522 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 55.5 m -90.4 150.06 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 0.0 110.943 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.628 ' HD3' ' HB2' ' A' 1001 ' ' SER . 38.7 ttm180 -130.22 132.9 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 21.7 pt -104.17 -177.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 987' ' ' THR . . . . . 0.769 HG23 HD11 ' A' ' 977' ' ' ILE . 57.0 p -138.36 137.68 37.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.446 ' CD1' ' HG3' ' A' 1018 ' ' PRO . 82.2 m-85 -103.9 150.57 24.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.881 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 58.2 m -155.26 137.18 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.985 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 97.3 m -73.87 -177.89 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 6.8 t -76.41 -12.14 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 91.4 m -136.03 -40.7 0.67 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.051 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 136.88 28.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.385 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.618 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 88.3 m-70 -64.89 163.89 13.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' 1021 ' ' GLN . 78.6 ttt180 -62.33 134.16 56.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' 1018 ' ' PRO . 1.1 tm? -86.82 117.17 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.452 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' 1021 ' ' GLN . 34.2 mm -79.55 76.58 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.078 0.466 . . . . 0.0 110.733 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 151.17 -111.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.463 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -148.07 129.45 14.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 49.9 m -83.96 30.39 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.323 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1001 ' ' SER . . . . . 0.628 ' HB2' ' HD3' ' A' ' 985' ' ' ARG . 78.0 p -167.02 125.3 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.828 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -113.16 158.97 19.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.223 -176.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -127.1 124.93 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.5 t -67.83 102.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.784 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.34 168.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.451 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 47.0 mt -124.08 133.98 53.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.912 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 79.3 p -150.11 -49.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -94.29 -129.83 5.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -99.15 -10.66 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 8.7 t -143.36 137.17 28.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.186 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -64.89 125.17 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 17.7 p80 -131.94 144.61 50.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.828 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 68.6 m95 -67.84 145.42 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -176.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 81.0 p -83.51 30.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.248 -175.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1015 ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' 1002 ' ' ALA . 81.7 p -135.58 127.64 29.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.227 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.586 ' HB2' ' NZ ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -63.05 161.22 32.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 175.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1017 ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 8.0 Cg_endo -49.89 115.56 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.622 2.215 . . . . 0.0 112.144 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.446 ' HG3' ' CD1' ' A' ' 988' ' ' TYR . 32.7 Cg_endo -64.4 144.23 84.97 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.626 2.217 . . . . 0.0 112.388 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' 1020 ' ' CYS . 10.4 mt -131.44 164.02 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 994' ' ' HIS . 61.3 m -116.35 113.27 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1021 ' ' GLN . . . . . 0.609 ' HB2' HD11 ' A' ' 997' ' ' ILE . 28.9 tt0 -72.59 -14.06 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -175.261 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.618 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 40.3 ttm180 64.06 113.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.017 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 66.6 mt -103.63 128.19 27.9 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.993 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.447 2.098 . . . . 0.0 112.25 179.472 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -121.27 136.96 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -95.46 148.43 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . 60.59 -178.58 0.1 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.285 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.536 ' N ' ' HD3' ' A' ' 961' ' ' LYS . 0.3 OUTLIER -154.39 146.36 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.84 -178.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 962' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 47.9 t -168.35 117.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.012 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 963' ' ' CYS . . . . . 0.53 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 92.1 m -68.48 157.27 36.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -81.66 119.15 23.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 76.2 p -54.32 134.31 61.22 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.277 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.76 125.72 10.76 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.566 2.177 . . . . 0.0 112.374 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.82 146.84 43.83 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.559 2.172 . . . . 0.0 112.193 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.06 120.4 42.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.987 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 969' ' ' PRO . . . . . 0.402 ' HG3' ' CE2' ' A' ' 988' ' ' TYR . 62.6 Cg_endo -72.96 175.49 10.35 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.612 2.208 . . . . 0.0 112.341 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.6 128.07 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 991' ' ' THR . 80.4 m-20 55.87 22.01 5.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.04 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -139.12 178.44 19.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.599 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.6 ptp -152.15 172.72 15.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.79 146.01 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.036 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -128.27 145.98 50.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 38.5 t -97.49 112.56 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.921 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.503 HG12 ' HA ' ' A' ' 986' ' ' ILE . 48.9 mm -73.24 -45.69 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.317 -174.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 978' ' ' THR . . . . . 0.566 HG22 ' OD2' ' A' ' 979' ' ' ASP . 28.1 m -135.3 -70.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.128 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 979' ' ' ASP . . . . . 0.566 ' OD2' HG22 ' A' ' 978' ' ' THR . 11.7 m-20 -141.06 -176.6 4.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.619 HG23 ' HZ2' ' A' 1013 ' ' TRP . 29.4 mt -110.41 -10.03 11.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 981' ' ' GLN . . . . . 0.52 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 28.4 pt20 -68.92 174.73 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.72 141.66 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.066 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 95.29 -12.98 67.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.291 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 56.4 m -93.18 136.34 33.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.717 0.294 . . . . 0.0 110.842 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -117.49 114.15 23.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.02 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.503 ' HA ' HG12 ' A' ' 977' ' ' ILE . 39.8 pt -95.55 174.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 175.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 987' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 988' ' ' TYR . 4.8 m -113.7 162.75 15.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.917 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.441 ' N ' HG22 ' A' ' 987' ' ' THR . 1.0 OUTLIER -149.75 124.53 9.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.669 -175.25 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 32.2 t -149.84 174.87 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.173 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 7.0 t -119.95 -170.11 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.34 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 971' ' ' ASN . 0.6 OUTLIER -59.12 -179.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 111.564 179.152 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 69.5 m -55.58 -68.03 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.362 -174.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 993' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . -84.35 42.92 3.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.599 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.505 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 71.7 m80 -143.16 116.43 9.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -86.55 139.08 31.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' 1000 ' ' SER . 1.7 tm? -69.78 108.05 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.428 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' 1019 ' ' ILE . 34.4 mm -75.77 74.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.034 0.445 . . . . 0.0 110.747 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 178.61 -125.06 0.96 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.624 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -104.82 -13.85 15.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.701 0.286 . . . . 0.0 111.094 -175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1000 ' ' SER . . . . . 0.454 ' H ' HD12 ' A' ' 996' ' ' LEU . 55.1 m 59.38 18.49 6.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.012 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 39.5 t -173.56 158.67 3.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.595 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -131.39 163.62 27.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.174 -177.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -149.01 118.17 6.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.2 t -62.24 100.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 43.0 pt -123.23 152.24 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.449 -174.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 60.5 mt -105.18 124.49 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.859 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.1 p -139.23 37.81 2.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 169.51 -85.51 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.502 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1009 ' ' ASN . . . . . 0.414 ' H ' ' H ' ' A' 1010 ' ' THR . 26.7 t-20 -157.61 -8.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1010 ' ' THR . . . . . 0.414 ' H ' ' H ' ' A' 1009 ' ' ASN . 66.4 m -126.61 111.01 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.53 ' HB1' ' SG ' ' A' ' 963' ' ' CYS . . . -59.57 129.47 42.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.324 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 20.0 p80 -150.35 168.68 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.619 ' HZ2' HG23 ' A' ' 980' ' ' ILE . 75.4 m95 -85.54 148.78 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.809 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 79.9 p -79.43 5.65 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 -174.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 44.2 p -86.42 137.94 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 111.408 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.794 ' HD3' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -97.79 166.01 14.37 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.369 173.538 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1017 ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 78.1 Cg_exo -39.78 102.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.711 2.274 . . . . 0.0 112.422 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.429 ' HG3' ' CE2' ' A' ' 988' ' ' TYR . 62.7 Cg_endo -74.03 154.53 47.55 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.641 2.228 . . . . 0.0 112.626 -171.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' ' 997' ' ' ILE . 9.7 mt -124.36 164.98 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.728 176.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 75.4 m -128.79 126.22 39.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.806 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1021 ' ' GLN . . . . . 0.426 ' HB3' HD11 ' A' ' 997' ' ' ILE . 64.3 tt0 -126.5 130.39 50.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 -177.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.447 ' HG2' ' HD2' ' A' 1024 ' ' PRO . 79.7 ttt180 -58.67 118.73 5.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.778 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1023 ' ' ILE . . . . . 0.65 ' HB ' ' HD3' ' A' 1024 ' ' PRO . 58.4 mt -66.64 -49.93 48.22 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.644 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1024 ' ' PRO . . . . . 0.65 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 49.9 Cg_exo . . . . . 0 C--O 1.249 1.028 0 C-N-CA 122.227 1.951 . . . . 0.0 112.346 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -154.53 16.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -136.63 -36.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -81.82 -174.54 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt 64.83 160.31 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.007 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 962' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 980' ' ' ILE . 47.4 t 60.82 90.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.179 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 55.3 m -67.74 142.97 56.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -59.83 112.75 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.781 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 72.1 p -57.34 134.86 81.45 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.74 150.63 68.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.557 2.171 . . . . 0.0 112.226 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 967' ' ' PRO . . . . . 0.446 ' HD2' ' HG3' ' A' 1017 ' ' PRO . 26.6 Cg_endo -61.87 146.15 96.63 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.61 2.206 . . . . 0.0 112.138 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -56.19 120.38 34.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.031 -177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.91 142.42 62.44 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.547 2.165 . . . . 0.0 112.359 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.473 HG22 ' OD1' ' A' ' 971' ' ' ASN . 14.8 p -62.12 131.51 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.781 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.473 ' OD1' HG22 ' A' ' 970' ' ' VAL . 21.2 m120 50.23 74.43 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -173.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' A' ' 990' ' ' CYS . . . 152.24 -173.02 31.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.591 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -161.42 137.67 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.54 135.77 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 975' ' ' HIS . . . . . 0.439 ' O ' ' HB ' ' A' ' 986' ' ' ILE . 10.0 t-80 -106.89 135.0 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 -175.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.12 89.68 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 985' ' ' ARG . 58.4 mt -60.65 -66.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.329 -176.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 63.2 m -96.9 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.08 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 979' ' ' ASP . . . . . 0.43 ' HB3' ' HG2' ' A' ' 981' ' ' GLN . 17.0 t70 -165.46 170.32 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.508 HG23 ' HZ2' ' A' 1013 ' ' TRP . 9.1 mt -96.07 26.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.09 0.471 . . . . 0.0 110.71 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 981' ' ' GLN . . . . . 0.43 ' HG2' ' HB3' ' A' ' 979' ' ' ASP . 14.3 pt20 -103.03 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.811 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 982' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' 1006 ' ' LEU . 42.9 t -75.64 141.3 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.078 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 98.29 -6.67 61.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.384 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 96.5 p -94.26 170.73 9.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 977' ' ' ILE . 79.9 ttt180 -149.8 96.23 2.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.439 ' HB ' ' O ' ' A' ' 975' ' ' HIS . 39.2 pt -84.7 171.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 69.3 p -134.7 136.31 42.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.236 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.402 ' HE2' ' HB2' ' A' 1002 ' ' ALA . 89.9 m-85 -90.25 138.87 31.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 55.3 m -141.74 127.67 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 990' ' ' CYS . . . . . 0.492 ' HA ' ' HA3' ' A' ' 972' ' ' GLY . 84.2 m -76.44 -176.72 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 971' ' ' ASN . 6.7 t -63.13 -32.63 74.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.0 111.209 -176.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 87.8 m -134.44 -50.83 0.8 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.076 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 162.83 32.99 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.416 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.58 ' HB2' ' HB3' ' A' 1020 ' ' CYS . 23.6 m-70 -58.94 144.68 44.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.827 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -64.11 108.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.684 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' 1019 ' ' ILE . 15.1 tp -64.21 155.39 31.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 72.9 mt -109.01 122.19 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.692 170.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 104.82 -111.34 3.75 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.433 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -141.46 129.19 21.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.72 0.295 . . . . 0.0 111.133 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 35.7 t -76.56 44.29 0.35 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 47.5 t -166.91 162.3 15.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.645 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -157.0 156.81 33.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.25 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -135.6 132.58 37.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.745 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1004 ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 52.5 t -77.99 94.43 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.013 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 31.6 pt -123.65 136.9 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.616 ' HA ' ' HA ' ' A' 1011 ' ' ALA . 4.9 mp -77.99 -15.71 58.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.935 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 98.0 p 50.68 22.43 1.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.454 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 138.58 -69.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -156.43 13.53 0.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.773 0.32 . . . . 0.0 110.912 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 2.5 t -130.78 105.98 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.236 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.616 ' HA ' ' HA ' ' A' 1006 ' ' LEU . . . -69.25 113.77 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.8 p80 -149.47 178.86 8.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.675 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.508 ' HZ2' HG23 ' A' ' 980' ' ' ILE . 83.9 m95 -95.2 141.86 28.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.892 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 46.3 t -68.35 -4.1 13.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.333 -172.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 82.6 p -127.22 123.39 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.273 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.592 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -59.19 153.97 43.59 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.877 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1017 ' ' PRO . . . . . 0.446 ' HG3' ' HD2' ' A' ' 967' ' ' PRO . 73.4 Cg_exo -49.65 108.05 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.724 2.283 . . . . 0.0 112.398 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.478 ' HB2' HD11 ' A' ' 996' ' ' LEU . 73.9 Cg_endo -75.59 167.24 26.89 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.6 2.2 . . . . 0.0 112.475 -176.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 996' ' ' LEU . 12.8 mm -124.71 162.54 26.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 994' ' ' HIS . 99.7 m -109.8 120.48 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -108.11 110.03 21.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.761 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.535 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 33.6 ttm180 -57.32 132.47 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -178.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 63.8 mt -79.34 127.45 78.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.037 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo . . . . . 0 C--O 1.249 1.031 0 C-N-CA 122.629 2.219 . . . . 0.0 112.264 179.79 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.796 0.332 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -146.71 78.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -156.0 94.43 1.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -96.35 79.48 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.017 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 962' ' ' SER . 23.2 ttmm -164.88 170.73 15.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.694 -177.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 962' ' ' SER . . . . . 0.445 ' N ' ' HG2' ' A' ' 961' ' ' LYS . 90.6 p 51.05 87.36 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.169 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 61.4 m -78.4 137.52 38.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.008 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -64.53 101.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 64.0 p -57.54 136.02 82.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.506 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 69.5 Cg_endo -74.03 150.31 43.04 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.658 2.238 . . . . 0.0 112.243 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.09 129.65 23.58 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.564 2.176 . . . . 0.0 112.207 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 968' ' ' ASP . . . . . 0.489 ' HB2' ' HA ' ' A' ' 973' ' ' MET . 4.5 p-10 -58.42 127.13 80.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 -178.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 969' ' ' PRO . . . . . 0.405 ' HB3' ' HB2' ' A' 1020 ' ' CYS . 51.5 Cg_exo -54.64 144.44 64.3 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.632 2.222 . . . . 0.0 112.238 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 971' ' ' ASN . 14.2 p -59.3 145.19 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 970' ' ' VAL . 20.4 m120 73.29 -29.46 0.2 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.514 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 970' ' ' VAL . . . -123.76 -149.36 7.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.529 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 973' ' ' MET . . . . . 0.489 ' HA ' ' HB2' ' A' ' 968' ' ' ASP . 0.0 OUTLIER -165.35 -175.9 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 974' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 988' ' ' TYR . 8.6 m -90.3 -174.54 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.298 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -149.67 88.16 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.51 100.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.792 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.618 HD11 HG23 ' A' ' 987' ' ' THR . 66.4 mt -60.09 -37.77 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.37 -176.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 62.0 m -152.07 -59.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.194 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -145.54 -168.34 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.666 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 2.6 pt -147.01 36.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.042 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -92.59 -171.42 2.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.776 177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.79 131.55 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.016 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.97 -9.48 75.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.43 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 84.1 p -73.55 168.78 18.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.472 ' O ' HD12 ' A' ' 977' ' ' ILE . 80.2 ttt180 -153.06 86.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 46.0 pt -76.67 -178.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 987' ' ' THR . . . . . 0.618 HG23 HD11 ' A' ' 977' ' ' ILE . 63.8 p -141.51 150.95 42.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 111.187 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.464 ' CD1' HG12 ' A' ' 974' ' ' VAL . 76.3 m-85 -97.79 131.53 44.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.761 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 47.0 t -95.8 -43.99 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.403 -172.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 1.3 m 57.61 -175.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.085 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 2.6 p -69.44 -95.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.414 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 96.1 m -138.65 -73.13 0.4 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.207 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . -100.66 51.88 0.97 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.58 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -126.17 137.0 53.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -96.29 144.11 26.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.799 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.458 HD22 ' H ' ' A' ' 999' ' ' HIS . 8.5 tt -89.49 127.08 35.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.704 HD13 ' HB ' ' A' 1019 ' ' ILE . 4.1 mp -74.14 81.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 175.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 167.37 -94.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -174.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 999' ' ' HIS . . . . . 0.458 ' H ' HD22 ' A' ' 996' ' ' LEU . 52.5 t-80 -145.42 -85.68 0.12 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.648 0.261 . . . . 0.0 111.023 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 48.1 t -179.95 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.87 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 80.0 p -137.25 -175.64 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -141.96 136.14 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.258 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -122.58 121.74 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.668 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1004 ' ' CYS . . . . . 0.52 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 45.2 t -76.14 102.64 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.026 -175.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 44.3 pt -124.63 143.48 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.208 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 65.9 mt -73.08 99.13 2.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 54.9 m -92.41 27.89 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.963 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 164.47 -91.36 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -138.5 10.17 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 48.0 m -145.12 138.77 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.52 ' HB1' ' SG ' ' A' 1004 ' ' CYS . . . -72.25 114.15 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.243 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.82 172.4 12.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.734 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.562 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 85.9 m95 -93.0 143.09 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 50.7 m -64.52 -16.87 63.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 7.3 t -105.07 137.14 43.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.912 0.387 . . . . 0.0 111.29 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.558 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -60.58 164.03 7.96 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.775 176.767 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1017 ' ' PRO . . . . . 0.521 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 81.1 Cg_exo -40.83 121.02 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.69 2.26 . . . . 0.0 112.479 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.413 ' HG3' ' CE1' ' A' ' 988' ' ' TYR . 74.5 Cg_endo -75.48 142.57 26.59 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.64 2.227 . . . . 0.0 112.699 -171.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.704 ' HB ' HD13 ' A' ' 997' ' ' ILE . 12.0 mt -126.96 163.11 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.513 173.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.46 ' N ' HG22 ' A' 1019 ' ' ILE . 5.7 t -133.76 100.15 4.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1021 ' ' GLN . . . . . 0.427 ' HB2' HD11 ' A' ' 997' ' ' ILE . 36.0 tt0 -109.45 134.86 51.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.99 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.596 ' HD3' ' H ' ' A' 1022 ' ' ARG . 0.0 OUTLIER -63.19 143.09 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.88 178.179 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1023 ' ' ILE . . . . . 0.555 ' N ' ' HD2' ' A' 1024 ' ' PRO . 66.0 mt -85.55 -50.41 0.53 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.534 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1024 ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' 1023 ' ' ILE . 49.9 Cg_endo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.194 1.929 . . . . 0.0 112.339 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -153.84 23.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -101.69 18.87 19.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.962 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -132.18 -71.65 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.05 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.575 ' HD2' ' HB ' ' A' ' 982' ' ' VAL . 39.7 ttpt -167.63 112.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 78.8 p 178.29 131.68 0.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 98.5 m -99.35 143.53 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.754 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -85.64 20.15 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.319 -172.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 965' ' ' THR . . . . . 0.684 HG22 HG21 ' A' ' 980' ' ' ILE . 12.0 p 61.95 137.79 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.65 176.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.426 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 72.7 Cg_endo -76.03 139.41 21.67 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.619 2.212 . . . . 0.0 112.293 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.23 138.2 46.2 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.52 2.147 . . . . 0.0 112.18 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -59.06 114.53 9.32 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.39 163.92 32.71 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.529 2.152 . . . . 0.0 112.206 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.42 134.47 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.113 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.403 ' HB3' ' CG2' ' A' ' 991' ' ' THR . 81.0 m-20 57.31 16.74 3.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -128.13 160.89 22.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.694 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -150.99 101.11 2.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 0.0 110.876 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.55 164.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.285 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -115.45 94.59 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.998 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.92 111.28 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.818 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.14 -63.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.21 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 55.9 m -156.42 -31.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.005 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -144.2 -170.54 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.515 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.684 HG21 HG22 ' A' ' 965' ' ' THR . 1.5 pp -143.6 29.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.108 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -108.53 -172.21 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.662 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 982' ' ' VAL . . . . . 0.575 ' HB ' ' HD2' ' A' ' 961' ' ' LYS . 79.6 t -64.41 133.03 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.044 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 106.09 -16.04 42.96 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.276 -176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 84.0 p -100.72 131.75 46.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.728 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -119.89 93.86 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 44.5 pt -89.56 171.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 66.1 p -141.48 150.19 41.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.407 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.41 127.17 34.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.601 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 989' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 990' ' ' CYS . 47.1 t -81.44 -62.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.46 -172.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 990' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 989' ' ' SER . 15.3 m 61.24 125.21 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 -169.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.459 HG23 ' ND1' ' A' ' 994' ' ' HIS . 3.5 t -56.47 147.34 22.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.312 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 72.5 m -54.36 130.21 38.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.227 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 105.63 7.03 37.41 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.325 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.594 ' NE2' ' HG2' ' A' 1022 ' ' ARG . 42.6 m80 -132.85 147.58 52.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 110.915 -178.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -102.82 167.8 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' 1018 ' ' PRO . 3.9 mm? -96.9 124.24 40.82 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.198 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.787 HD11 ' HB2' ' A' 1021 ' ' GLN . 18.8 mm -87.23 45.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.182 0.515 . . . . 0.0 110.32 169.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 998' ' ' GLY . . . . . 0.445 ' HA3' ' HB3' ' A' 1018 ' ' PRO . . . -159.14 -95.17 0.1 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.585 -175.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -162.56 -11.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 111.095 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1000 ' ' SER . . . . . 0.592 ' HB2' ' HG ' ' A' ' 996' ' ' LEU . 35.3 t 62.86 14.1 7.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.938 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 66.3 m -158.56 145.79 17.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -143.04 165.43 27.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -139.9 129.56 24.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1004 ' ' CYS . . . . . 0.417 ' O ' HG22 ' A' ' 982' ' ' VAL . 43.2 t -72.75 104.39 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -178.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.3 pt -130.47 145.43 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.67 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.7 mp -81.91 137.55 35.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 58.3 m -114.22 31.3 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 121.65 -95.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.531 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.0 m120 -109.81 9.43 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 110.91 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 61.1 m -149.65 122.06 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.67 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -96.38 125.1 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.3 p80 -142.35 178.01 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.498 ' HE1' ' HA ' ' A' ' 965' ' ' THR . 84.8 m95 -85.24 139.48 31.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.99 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 50.1 m -55.55 -74.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 -172.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 79.9 p -65.02 138.07 58.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.372 -174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1016 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 154.01 76.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.602 175.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.95 103.4 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.587 2.191 . . . . 0.0 112.047 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.611 ' HB2' HD12 ' A' ' 996' ' ' LEU . 2.8 Cg_exo -76.43 153.22 34.97 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.914 2.409 . . . . 0.0 112.329 -172.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' 1020 ' ' CYS . 9.4 mt -93.02 162.57 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.68 175.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.443 ' N ' HG22 ' A' 1019 ' ' ILE . 55.6 m -101.81 96.52 7.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.812 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1021 ' ' GLN . . . . . 0.787 ' HB2' HD11 ' A' ' 997' ' ' ILE . 57.9 tp60 -62.15 124.19 20.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.059 -176.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.594 ' HG2' ' NE2' ' A' ' 994' ' ' HIS . 1.0 OUTLIER -88.56 82.8 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.639 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 35.6 pt -62.62 143.51 96.43 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.312 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.578 2.186 . . . . 0.0 112.246 -179.702 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -108.04 113.17 26.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.12 -71.09 0.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.649 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -166.65 117.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -111.28 139.53 46.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.8 t -136.34 143.9 44.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 84.3 m -92.26 135.4 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -141.24 105.67 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 965' ' ' THR . . . . . 0.765 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 89.6 m -161.84 -53.78 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.85 -175.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.765 ' HD2' ' H ' ' A' ' 965' ' ' THR . 10.9 Cg_endo -54.56 108.34 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.831 2.354 . . . . 0.0 112.609 -174.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.09 -167.41 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.029 2.486 . . . . 0.0 112.041 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -95.03 105.98 22.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.73 134.62 41.47 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.5 2.133 . . . . 0.0 112.418 -176.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.51 141.86 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.967 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 53.38 59.24 4.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.827 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 163.07 -154.74 25.81 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.443 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -166.39 137.32 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.963 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.08 145.04 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.985 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -67.36 -60.48 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.94 -175.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 72.7 t 56.97 101.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.245 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.43 ' H ' HG22 ' A' ' 986' ' ' ILE . 50.1 mm -56.86 -76.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.202 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 69.0 m -158.63 -66.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -105.35 -7.72 18.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 43.0 pt 36.41 46.98 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.872 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -91.21 -172.98 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.818 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.79 133.84 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 983' ' ' GLY . . . . . 0.427 ' H ' ' HB2' ' A' 1004 ' ' CYS . . . 96.34 -23.42 34.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.53 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 44.5 t -75.12 158.15 33.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -136.7 109.88 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.956 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' ' 977' ' ' ILE . 42.9 pt -96.8 171.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 68.6 p -133.89 128.77 35.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.234 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.406 ' OH ' ' HB3' ' A' ' 966' ' ' PRO . 72.4 m-85 -91.58 124.64 35.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.72 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 80.1 p -132.54 128.46 37.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.004 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 72.5 m -89.58 -173.9 4.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.804 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.405 HG23 ' ND1' ' A' ' 994' ' ' HIS . 5.1 t -79.35 156.46 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 3.3 t -57.02 120.55 8.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.293 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 110.25 15.81 11.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.538 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.405 ' ND1' HG23 ' A' ' 991' ' ' THR . 65.8 m80 -137.27 145.0 42.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.022 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.572 ' HB3' HE21 ' A' 1021 ' ' GLN . 78.6 ttt180 -106.37 153.47 22.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' 1018 ' ' PRO . 1.2 tm? -76.15 125.08 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -176.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.771 HD11 ' HB3' ' A' 1021 ' ' GLN . 37.9 mm -83.16 82.22 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.677 173.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 998' ' ' GLY . . . . . 0.574 ' HA2' ' NZ ' ' A' 1016 ' ' LYS . . . 153.93 -93.9 0.14 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.347 -174.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 999' ' ' HIS . . . . . 0.536 ' H ' HD12 ' A' ' 996' ' ' LEU . 60.5 t-80 -144.64 -81.11 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.649 0.261 . . . . 0.0 110.714 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 91.0 p -176.14 -48.69 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.859 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 79.7 p -138.07 179.26 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.654 ' HB2' HG22 ' A' 1015 ' ' THR . . . -141.98 172.01 13.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -144.26 137.66 27.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.767 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1004 ' ' CYS . . . . . 0.427 ' HB2' ' H ' ' A' ' 983' ' ' GLY . 56.4 m -63.15 91.25 0.05 OUTLIER 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 18.3 pt -105.92 154.63 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.36 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 76.3 mt -104.79 126.95 52.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.887 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 51.5 m -107.37 -23.36 12.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -151.02 -81.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.424 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.63 14.69 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 51.0 m -148.15 134.3 19.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.047 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.44 115.08 14.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -126.17 143.53 51.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.63 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.539 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 71.7 m95 -67.76 146.83 53.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 68.6 p -60.01 -67.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.174 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1015 ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' 1002 ' ' ALA . 9.1 t -69.79 152.77 44.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.371 -175.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.574 ' NZ ' ' HA2' ' A' ' 998' ' ' GLY . 0.0 OUTLIER -79.9 160.64 68.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.767 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -44.32 106.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.65 2.233 . . . . 0.0 112.424 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.537 ' HB3' HD11 ' A' ' 996' ' ' LEU . 57.4 Cg_endo -71.66 148.59 53.4 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.626 2.217 . . . . 0.0 112.66 -173.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.686 ' H ' ' HB ' ' A' ' 997' ' ' ILE . 13.4 mm -115.17 165.36 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.567 176.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' 1019 ' ' ILE . 58.5 m -111.28 107.41 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -178.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1021 ' ' GLN . . . . . 0.771 ' HB3' HD11 ' A' ' 997' ' ' ILE . 11.2 pt20 -92.78 146.29 23.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -81.51 107.22 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 61.4 mt -66.08 128.0 93.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 C--O 1.248 1.004 0 C-N-CA 122.552 2.168 . . . . 0.0 112.237 179.444 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -90.17 9.67 27.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.12 -47.22 29.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -90.91 103.04 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -83.4 147.45 27.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 962' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 53.6 m -124.34 168.39 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 963' ' ' CYS . . . . . 0.412 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 71.1 m -89.42 161.36 16.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -151.08 41.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 965' ' ' THR . . . . . 0.797 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 70.6 m -103.38 -51.79 0.13 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.292 -171.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.797 ' HD2' ' H ' ' A' ' 965' ' ' THR . 6.5 Cg_endo -49.54 105.46 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.967 2.445 . . . . 0.0 112.75 -168.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -85.27 -165.0 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.868 2.379 . . . . 0.0 112.175 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.81 110.39 63.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.774 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 969' ' ' PRO . . . . . 0.427 ' HG2' ' C ' ' A' ' 972' ' ' GLY . 33.5 Cg_endo -64.96 167.48 15.8 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.6 2.2 . . . . 0.0 112.394 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.12 128.95 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.768 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 57.86 12.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.085 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.427 ' C ' ' HG2' ' A' ' 969' ' ' PRO . . . -130.39 -165.0 11.47 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 973' ' ' MET . . . . . 0.459 ' HG3' ' NE2' ' A' ' 975' ' ' HIS . 23.8 ptt? -163.42 135.16 4.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 110.829 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.4 145.93 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 975' ' ' HIS . . . . . 0.466 ' O ' ' HB ' ' A' ' 986' ' ' ILE . 77.9 m-70 -129.64 145.04 51.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 976' ' ' VAL . . . . . 0.402 ' HA ' HG22 ' A' ' 986' ' ' ILE . 6.7 p -109.15 119.63 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 177.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.741 HD11 HG23 ' A' ' 987' ' ' THR . 48.1 mt -75.91 -35.15 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.23 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 48.2 p -138.78 -68.01 0.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -150.86 -171.16 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 980' ' ' ILE . 28.2 mm -118.96 -7.52 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 981' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 13.7 pt20 -67.29 -173.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.981 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.6 133.57 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 89.78 8.9 66.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.709 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 91.5 p -98.17 146.8 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.801 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -121.68 130.91 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 975' ' ' HIS . 36.9 pt -128.44 169.6 19.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 987' ' ' THR . . . . . 0.741 HG23 HD11 ' A' ' 977' ' ' ILE . 71.5 p -135.29 130.45 35.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.167 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -87.63 136.96 32.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.2 m -120.89 169.15 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 22.4 t -153.23 162.37 41.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.497 HG23 ' ND1' ' A' ' 994' ' ' HIS . 5.1 t -60.8 151.78 28.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.304 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 64.7 m -60.32 137.67 58.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 94.42 8.19 60.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.327 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 991' ' ' THR . 44.5 m80 -134.85 114.78 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.771 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.631 ' HB2' HD11 ' A' 1023 ' ' ILE . 9.8 mpt_? -90.36 136.82 32.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.052 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' 1018 ' ' PRO . 9.3 tt -75.5 126.6 31.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.837 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.2 79.38 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 173.29 -115.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.469 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -140.62 -0.2 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.871 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1000 ' ' SER . . . . . 0.42 ' H ' HD22 ' A' ' 996' ' ' LEU . 97.3 p 49.09 27.44 1.73 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.453 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 46.6 t -162.96 161.74 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.678 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -164.78 172.85 12.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -145.61 136.11 24.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 5.3 m -68.13 88.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 30.0 pt -99.85 128.86 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.214 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 31.2 mt -86.15 117.8 25.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.04 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.412 ' HB2' ' NE2' ' A' 1012 ' ' HIS . 49.4 m -143.8 91.24 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 105.29 39.53 2.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.46 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.1 m120 57.64 24.88 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 110.997 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 7.2 t -142.51 131.71 23.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.412 ' HB1' ' SG ' ' A' ' 963' ' ' CYS . . . -85.9 114.3 22.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 178.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1012 ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' 1007 ' ' SER . 19.0 p80 -140.45 141.95 35.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.754 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.678 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 65.7 m95 -69.71 147.57 50.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 76.8 p -61.36 -62.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 77.7 p -68.07 141.79 56.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.42 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.482 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.2 OUTLIER -64.44 158.51 65.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 176.357 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1017 ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.2 Cg_endo -52.42 108.2 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.735 2.29 . . . . 0.0 112.265 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.639 ' HB3' HD21 ' A' ' 996' ' ' LEU . 36.6 Cg_exo -58.44 159.02 20.93 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.787 2.324 . . . . 0.0 112.506 -175.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' 1020 ' ' CYS . 10.9 mt -132.03 164.07 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.718 177.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.478 ' N ' HG22 ' A' 1019 ' ' ILE . 79.4 m -106.16 120.28 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.982 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -112.83 104.92 12.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.851 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -56.4 145.15 28.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1023 ' ' ILE . . . . . 0.631 HD11 ' HB2' ' A' ' 995' ' ' ARG . 24.8 mm -102.53 127.3 30.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.135 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 C--O 1.248 1.022 0 C-N-CA 122.561 2.174 . . . . 0.0 112.329 179.319 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.864 0.364 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 60.84 -172.72 0.13 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.199 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 56.23 84.84 0.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -75.09 88.73 2.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.555 ' HE2' HG13 ' A' ' 980' ' ' ILE . 59.6 tttm -114.75 117.17 30.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 80.3 p -177.76 30.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.053 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 63.4 m -79.4 125.91 30.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.842 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -65.61 94.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 65.0 p -60.68 130.99 90.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.544 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 91.7 Cg_endo -79.67 142.33 16.04 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.669 2.246 . . . . 0.0 112.53 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.52 147.26 70.32 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.5 2.133 . . . . 0.0 111.935 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 968' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 969' ' ' PRO . 9.6 m-20 -51.77 106.47 0.66 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -175.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 969' ' ' PRO . . . . . 0.48 ' O ' HG12 ' A' ' 970' ' ' VAL . 13.5 Cg_exo -69.97 106.23 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.761 2.307 . . . . 0.0 112.095 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.795 HG22 ' H ' ' A' ' 971' ' ' ASN . 2.9 p 43.44 -164.2 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.454 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.795 ' H ' HG22 ' A' ' 970' ' ' VAL . 12.9 m120 -47.82 -33.17 6.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.669 0.271 . . . . 0.0 111.145 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.683 ' HA2' ' HA ' ' A' ' 990' ' ' CYS . . . -61.27 121.58 26.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.534 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptm -92.1 136.17 33.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.944 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.65 141.16 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.981 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -104.12 89.39 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 7.7 p -74.65 122.55 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.914 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.471 HD11 ' O ' ' A' ' 985' ' ' ARG . 58.1 mt -58.64 -82.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.255 -175.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 47.8 m -161.47 -24.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.899 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 979' ' ' ASP . . . . . 0.661 ' HB3' HE22 ' A' ' 981' ' ' GLN . 10.6 m-20 -143.9 124.35 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.555 HG13 ' HE2' ' A' ' 961' ' ' LYS . 5.3 pt -103.97 49.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.449 -173.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 981' ' ' GLN . . . . . 0.661 HE22 ' HB3' ' A' ' 979' ' ' ASP . 12.9 mp0 -91.31 166.71 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.763 173.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.58 134.85 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 101.29 -3.63 54.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.279 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 62.1 m -81.84 162.24 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.471 ' O ' HD11 ' A' ' 977' ' ' ILE . 40.3 ttm180 -142.16 87.85 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -178.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.417 HG22 HG13 ' A' ' 977' ' ' ILE . 44.4 pt -80.68 171.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 78.8 p -128.72 143.8 51.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.293 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.544 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 22.6 m-85 -109.84 139.87 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.796 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 33.4 t -147.85 174.94 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.052 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 990' ' ' CYS . . . . . 0.683 ' HA ' ' HA2' ' A' ' 972' ' ' GLY . 46.9 m -100.24 155.83 17.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.018 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 8.3 t -73.14 -4.03 30.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.353 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 80.3 m -128.41 -37.75 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 131.37 20.82 1.09 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.43 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.584 ' HB2' ' SG ' ' A' 1020 ' ' CYS . 42.9 m-70 -73.57 -173.43 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.858 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.595 ' HE ' ' H ' ' A' ' 996' ' ' LEU . 6.2 tpm_? -93.84 148.32 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -175.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.595 ' H ' ' HE ' ' A' ' 995' ' ' ARG . 1.3 tm? -95.53 114.58 26.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.465 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.646 ' HB ' ' HB ' ' A' 1019 ' ' ILE . 3.9 mp -82.39 87.25 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.578 177.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 149.26 -108.97 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.405 -176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 999' ' ' HIS . . . . . 0.49 ' NE2' ' HB3' ' A' 1001 ' ' SER . 19.2 t-160 -144.6 117.75 8.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 110.798 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 80.4 p -82.07 34.57 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1001 ' ' SER . . . . . 0.49 ' HB3' ' NE2' ' A' ' 999' ' ' HIS . 43.7 t -157.28 158.64 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.713 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -137.48 164.36 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.483 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1003 ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' 1005 ' ' ILE . 41.1 tt0 -153.43 104.64 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.54 175.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 43.2 t -57.24 98.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1005 ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' 1003 ' ' GLU . 40.7 pt -123.04 139.51 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.302 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.624 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.2 mp -88.39 158.71 18.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 78.5 p -153.5 17.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 95.36 -24.17 30.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.532 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -110.61 62.15 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.851 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 30.3 m 63.69 133.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.413 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.624 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -61.73 115.23 3.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 16.4 p80 -127.53 155.24 44.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.464 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 55.4 m95 -70.69 142.82 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.711 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 78.9 p -74.79 4.11 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.344 -173.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1015 ' ' THR . . . . . 0.48 HG21 ' CE1' ' A' ' 988' ' ' TYR . 41.4 p -59.9 137.11 58.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.968 0.413 . . . . 0.0 111.616 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' 1016 ' ' LYS . 0.5 OUTLIER -85.04 155.54 60.78 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.193 167.069 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -43.05 101.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.73 2.286 . . . . 0.0 112.67 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -81.89 146.19 14.54 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.74 2.293 . . . . 0.0 112.521 -175.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.646 ' HB ' ' HB ' ' A' ' 997' ' ' ILE . 13.8 mt -137.61 164.6 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 994' ' ' HIS . 46.7 t -124.16 117.8 25.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.757 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1021 ' ' GLN . . . . . 0.54 ' O ' ' HB3' ' A' ' 994' ' ' HIS . 6.6 tp-100 -128.6 121.98 29.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.965 -175.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.583 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 36.0 ttm180 -56.59 116.54 3.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 12.7 pt -77.07 136.65 65.78 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.212 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.587 2.191 . . . . 0.0 112.272 179.638 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -122.07 -16.96 7.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -156.23 105.46 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.982 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -85.22 122.09 28.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.59 ' HD2' ' HB ' ' A' ' 982' ' ' VAL . 16.4 tppt? -165.07 166.3 19.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.793 -177.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 962' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 51.0 m 65.67 107.67 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.221 177.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 98.4 m -66.46 174.3 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.762 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -124.91 38.48 4.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.064 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 965' ' ' THR . . . . . 0.606 HG22 HG21 ' A' ' 980' ' ' ILE . 19.1 p 61.16 135.88 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.875 174.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.449 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 93.1 Cg_endo -80.0 134.35 10.53 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.71 141.4 64.77 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.616 2.211 . . . . 0.0 112.201 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 968' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 969' ' ' PRO . 2.9 p30 -55.83 107.77 0.99 Allowed Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 -177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 969' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 968' ' ' ASP . 3.1 Cg_exo -81.55 121.45 3.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.047 2.498 . . . . 0.0 112.37 -176.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.824 HG22 ' H ' ' A' ' 971' ' ' ASN . 2.8 p 44.31 -164.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.695 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.824 ' H ' HG22 ' A' ' 970' ' ' VAL . 2.7 m-20 -48.11 -35.25 11.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.779 0.323 . . . . 0.0 111.225 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.656 ' H ' HG13 ' A' ' 970' ' ' VAL . . . -64.84 171.47 22.09 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.592 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 973' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 973' ' ' MET . 1.5 pmm? -143.68 143.92 31.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.0 p -88.19 134.88 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -94.79 118.01 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 83.9 t -90.88 114.59 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 175.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.566 HG22 HG23 ' A' ' 978' ' ' THR . 56.6 mt -61.23 -70.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.24 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 978' ' ' THR . . . . . 0.566 HG23 HG22 ' A' ' 977' ' ' ILE . 41.2 p -143.1 -54.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -128.44 -164.59 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.606 HG21 HG22 ' A' ' 965' ' ' THR . 2.2 pt -150.35 34.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.096 -175.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 981' ' ' GLN . . . . . 0.555 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 75.6 mt-30 -96.53 -173.85 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.812 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 982' ' ' VAL . . . . . 0.59 ' HB ' ' HD2' ' A' ' 961' ' ' LYS . 7.3 p -60.18 139.76 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.034 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 93.04 -14.82 64.33 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.54 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 54.9 m -80.04 134.2 36.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' 1002 ' ' ALA . 79.5 ttt180 -133.7 87.33 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.509 HG22 HG13 ' A' ' 977' ' ' ILE . 40.5 pt -82.74 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 177.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 987' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' 1001 ' ' SER . 68.0 p -128.15 142.89 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.36 -174.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.572 ' HE1' ' HB2' ' A' 1002 ' ' ALA . 87.3 m-85 -89.98 145.54 25.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.776 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 28.6 t -142.1 172.91 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.794 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 36.0 t -117.1 163.5 16.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 8.0 t -71.87 -6.8 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.462 -172.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 85.5 m -134.55 -33.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 126.16 13.37 3.26 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.263 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.679 ' HB3' ' H ' ' A' 1022 ' ' ARG . 73.8 m-70 -62.1 148.0 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -62.29 146.79 50.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 -175.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.493 HD23 ' H ' ' A' ' 999' ' ' HIS . 6.7 tp -87.82 121.19 29.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.842 HD13 ' HB ' ' A' 1019 ' ' ILE . 3.8 mp -75.22 80.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.061 0.458 . . . . 0.0 110.247 170.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 166.39 -104.45 0.22 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.425 -173.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 999' ' ' HIS . . . . . 0.493 ' H ' HD23 ' A' ' 996' ' ' LEU . 0.8 OUTLIER -134.7 -91.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.637 0.256 . . . . 0.0 111.129 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 47.8 t 177.35 -35.81 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -178.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1001 ' ' SER . . . . . 0.502 ' HB2' HG22 ' A' ' 987' ' ' THR . 44.0 t -150.93 158.05 43.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -175.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -119.52 163.53 17.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.339 -176.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -135.55 124.11 23.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.704 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 40.8 t -61.18 106.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.5 pt -126.09 144.91 34.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' 1011 ' ' ALA . 70.5 mt -78.61 126.18 30.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 176.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 50.7 m -118.55 20.98 12.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 150.23 -111.51 0.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.432 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -96.61 -1.29 47.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 77.1 m -150.84 137.3 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.576 ' HB2' HD23 ' A' 1006 ' ' LEU . . . -80.55 126.08 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -118.96 168.45 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.792 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.658 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 84.7 m95 -87.22 139.89 30.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 80.5 p -87.81 44.42 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.32 -171.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 11.6 p -118.14 131.71 56.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.894 0.378 . . . . 0.0 111.567 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.44 ' HB3' ' HD2' ' A' 1017 ' ' PRO . 79.5 mttt -60.28 158.39 28.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.494 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1017 ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' 1016 ' ' LYS . 7.6 Cg_endo -49.58 104.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.813 2.342 . . . . 0.0 112.318 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.49 ' HB2' HD11 ' A' ' 996' ' ' LEU . 78.9 Cg_endo -79.06 139.05 14.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.676 2.251 . . . . 0.0 112.488 -175.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.842 ' HB ' HD13 ' A' ' 997' ' ' ILE . 13.1 mt -141.51 166.88 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.748 -177.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.527 ' N ' HG22 ' A' 1019 ' ' ILE . 72.6 m -100.78 103.81 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.789 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1021 ' ' GLN . . . . . 0.521 ' HB2' HD11 ' A' ' 997' ' ' ILE . 53.6 tt0 -65.39 -20.04 66.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.059 -176.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.679 ' H ' ' HB3' ' A' ' 994' ' ' HIS . 55.5 ttp180 64.15 113.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.018 -177.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 68.9 mt -100.71 116.83 63.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.049 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.541 2.161 . . . . 0.0 112.232 179.742 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.723 0.297 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 61.98 107.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.255 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -65.27 -12.0 47.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.032 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . 63.74 -82.9 0.02 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.402 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.886 ' HG2' HD21 ' A' 1006 ' ' LEU . 58.8 tptt -149.85 152.06 34.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 79.7 p -135.47 131.39 36.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.88 146.48 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.076 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -140.0 99.47 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.515 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 965' ' ' THR . . . . . 0.648 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 87.3 m -158.2 -55.89 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.992 -171.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 71.2 Cg_exo -50.36 104.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.878 2.386 . . . . 0.0 112.824 -168.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -88.7 -163.37 0.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.943 2.429 . . . . 0.0 112.205 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 968' ' ' ASP . . . . . 0.412 ' HA ' ' HD2' ' A' ' 969' ' ' PRO . 15.5 t70 -96.82 102.99 13.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 173.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 969' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 968' ' ' ASP . 18.1 Cg_endo -59.72 138.27 82.06 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.656 2.238 . . . . 0.0 112.271 -175.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.06 132.87 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.032 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.415 ' C ' HG23 ' A' ' 991' ' ' THR . 79.5 m-20 53.03 59.3 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 168.3 -156.12 27.36 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.3 ptm -164.07 142.34 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.954 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.2 p -88.02 146.3 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -110.34 102.65 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.151 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.0 110.58 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.713 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 986' ' ' ILE . 49.6 mm -60.23 -56.83 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.234 -177.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 45.4 m -157.09 -33.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -148.63 -168.65 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.596 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 2.6 pt -146.34 37.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -108.99 -175.99 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.78 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.96 137.43 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.027 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 88.95 -10.13 73.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 56.9 m -94.95 132.53 39.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.825 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' 1002 ' ' ALA . 56.9 ttp180 -121.46 105.77 10.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.435 ' HA ' HG12 ' A' ' 977' ' ' ILE . 48.9 pt -89.74 177.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 71.7 p -136.23 131.55 34.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.313 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.443 ' HE2' ' HB2' ' A' 1002 ' ' ALA . 89.1 m-85 -96.22 152.62 18.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.709 177.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 90.7 p -152.25 144.82 24.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 48.1 t -108.05 168.42 9.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.629 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 971' ' ' ASN . 11.2 p -58.86 158.4 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.36 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 62.7 m -62.14 135.55 57.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.095 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 96.99 6.87 57.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.334 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.478 ' NE2' ' HD3' ' A' 1022 ' ' ARG . 25.1 m80 -127.2 171.46 11.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 110.767 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -135.66 125.89 26.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.789 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' 1019 ' ' ILE . 36.4 tp -67.74 124.17 22.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' 1021 ' ' GLN . 4.0 mp -81.1 78.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -178.92 -126.22 0.99 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.23 3.62 3.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.747 0.308 . . . . 0.0 111.143 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1000 ' ' SER . . . . . 0.501 ' HA ' HD23 ' A' ' 996' ' ' LEU . 34.3 t 58.67 20.8 8.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.009 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 68.1 m -157.85 -176.28 5.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.959 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 985' ' ' ARG . . . -170.21 149.16 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1003 ' ' GLU . . . . . 0.463 ' HG2' HG23 ' A' 1005 ' ' ILE . 40.7 tt0 -129.09 120.28 25.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.975 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 41.2 t -71.34 102.06 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1005 ' ' ILE . . . . . 0.463 HG23 ' HG2' ' A' 1003 ' ' GLU . 42.9 pt -127.62 153.86 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.417 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.886 HD21 ' HG2' ' A' ' 961' ' ' LYS . 39.9 mt -94.46 161.21 14.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 175.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 84.8 p -147.87 -27.42 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.982 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -154.06 -86.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.586 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -130.75 -9.64 3.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.816 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 63.4 m -132.29 115.68 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -65.37 130.66 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 16.6 p80 -139.71 145.51 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.737 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.598 ' HE1' ' HD3' ' A' ' 966' ' ' PRO . 69.6 m95 -67.94 142.63 55.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 46.8 t -73.22 -7.76 52.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.356 -172.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 80.8 p -106.78 150.77 25.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 111.271 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.459 ' HZ3' ' N ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -72.12 154.59 92.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.57 146.52 19.61 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.541 2.16 . . . . 0.0 112.306 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.35 138.31 29.9 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.523 ' O ' HD12 ' A' ' 996' ' ' LEU . 11.3 mt -136.89 164.1 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.691 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.489 ' N ' HG22 ' A' 1019 ' ' ILE . 83.9 m -124.92 125.34 43.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.729 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1021 ' ' GLN . . . . . 0.593 ' HB3' HD11 ' A' ' 997' ' ' ILE . 20.0 pt20 -90.74 -25.54 19.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.478 ' HD3' ' NE2' ' A' ' 994' ' ' HIS . 32.1 tpt180 55.51 87.63 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.876 -179.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 24.0 pt -69.34 144.77 95.12 Favored Pre-proline 0 N--CA 1.452 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.272 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.534 2.156 . . . . 0.0 112.295 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.787 0.327 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -107.77 166.18 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -148.66 119.48 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.659 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -158.4 21.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.032 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.563 ' HD2' ' N ' ' A' ' 961' ' ' LYS . 0.0 OUTLIER -148.75 -166.4 2.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.442 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.6 t 60.61 70.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.898 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 74.6 m -59.12 160.56 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.026 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -90.93 110.0 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.685 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 965' ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' ' 966' ' ' PRO . 82.8 p -52.57 135.07 44.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.208 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.553 ' HB2' ' HE2' ' A' ' 988' ' ' TYR . 22.8 Cg_exo -64.02 130.73 28.3 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.599 2.199 . . . . 0.0 112.197 -176.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.2 127.64 19.71 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.525 2.15 . . . . 0.0 112.139 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -74.42 112.25 16.41 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.033 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.23 -162.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.681 2.254 . . . . 0.0 112.178 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 10.3 p -52.98 129.25 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.444 ' HB3' ' OG1' ' A' ' 991' ' ' THR . 2.0 m-20 45.65 46.79 11.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.023 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -93.51 159.44 24.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 49.0 tpp -163.18 98.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.67 150.75 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -129.36 138.81 51.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.934 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 976' ' ' VAL . . . . . 0.61 ' HA ' HG22 ' A' ' 986' ' ' ILE . 7.1 p -91.66 127.65 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 177.128 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.487 HG12 ' HA ' ' A' ' 986' ' ' ILE . 46.6 mm -92.64 -39.34 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.26 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 49.3 p -138.62 -66.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.284 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -148.31 -168.89 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.757 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 980' ' ' ILE . 31.4 mm -124.27 -4.19 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.632 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -73.87 -171.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.849 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.43 138.53 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.085 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 85.19 7.22 83.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.436 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 88.7 p -85.76 144.7 27.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' 1002 ' ' ALA . 40.0 ttm180 -132.5 90.9 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 -178.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.61 HG22 ' HA ' ' A' ' 976' ' ' VAL . 33.9 pt -82.13 178.27 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 987' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' 1001 ' ' SER . 74.1 p -135.43 128.88 32.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.28 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.553 ' HE2' ' HB2' ' A' ' 966' ' ' PRO . 0.2 OUTLIER -100.31 138.92 36.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.678 176.357 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.6 m -146.69 -11.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.417 -174.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 83.6 m 57.57 -167.14 0.13 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' A' ' 971' ' ' ASN . 7.3 p -66.0 161.77 20.78 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.29 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 80.7 m -71.12 108.52 4.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 119.5 7.26 9.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.485 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -124.82 134.51 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.53 ' HE ' ' H ' ' A' ' 996' ' ' LEU . 6.9 tpm_? -91.99 126.03 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -178.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.823 HD11 ' HB2' ' A' 1018 ' ' PRO . 8.5 tp -71.77 133.68 45.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.787 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.85 ' HB ' HD13 ' A' 1019 ' ' ILE . 22.9 mm -96.02 58.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.034 0.445 . . . . 0.0 110.725 176.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -151.96 -121.93 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.543 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -126.8 -0.17 6.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1000 ' ' SER . . . . . 0.501 ' H ' HD23 ' A' ' 996' ' ' LEU . 33.7 t 58.34 30.56 19.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1001 ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 987' ' ' THR . 30.4 t -174.29 -177.39 1.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.694 -176.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -166.42 167.37 15.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1003 ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' 1013 ' ' TRP . 10.5 tp10 -148.19 134.0 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.983 -178.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 16.7 m -76.72 100.17 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.174 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 32.3 pt -112.09 169.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.429 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 69.2 mt -126.62 130.82 51.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.942 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 85.1 p -148.84 11.59 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -155.25 -92.88 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -145.7 -9.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 4.9 t -133.48 131.81 40.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.196 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -68.05 113.54 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.0 p80 -115.52 -177.36 3.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.642 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.509 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 82.2 m95 -97.65 136.7 37.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.4 t -71.6 -8.32 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.209 -173.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1015 ' ' THR . . . . . 0.465 HG21 ' O ' ' A' 1001 ' ' SER . 70.0 p -100.56 132.76 45.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.239 -177.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' 1016 ' ' LYS . 0.1 OUTLIER -58.87 159.11 14.14 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.969 178.815 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1017 ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.9 Cg_endo -51.29 113.08 0.96 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.777 2.318 . . . . 0.0 112.212 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.823 ' HB2' HD11 ' A' ' 996' ' ' LEU . 43.0 Cg_endo -67.96 160.93 46.33 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.636 2.224 . . . . 0.0 112.5 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.85 HD13 ' HB ' ' A' ' 997' ' ' ILE . 2.0 mp -129.91 162.61 37.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.747 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' 1019 ' ' ILE . 65.2 m -118.91 87.44 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.779 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -80.36 139.76 36.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.704 ' H ' ' HD2' ' A' 1022 ' ' ARG . 0.0 OUTLIER -101.14 81.31 2.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.745 175.264 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1023 ' ' ILE . . . . . 0.505 ' O ' HD12 ' A' 1023 ' ' ILE . 1.6 pp -57.02 152.6 27.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.375 -176.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.444 2.096 . . . . 0.0 112.334 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.752 0.31 . . . . 0.0 110.664 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 56.72 84.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 60.51 178.46 0.1 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.066 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -111.02 88.17 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.007 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.741 ' HE2' ' HB3' ' A' ' 981' ' ' GLN . 82.6 tttt -159.38 170.44 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.681 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 962' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 48.1 t 66.19 117.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.006 0.431 . . . . 0.0 111.077 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.11 167.86 21.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.142 -177.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.47 -167.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.49 172.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 69.8 p -127.11 129.94 23.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.132 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.457 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 57.2 Cg_endo -71.02 154.77 62.59 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.602 2.201 . . . . 0.0 112.34 -178.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.41 141.25 67.13 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.62 2.213 . . . . 0.0 112.229 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.09 116.02 14.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 969' ' ' PRO . . . . . 0.467 ' HG3' ' HG2' ' A' 1018 ' ' PRO . 33.2 Cg_exo -58.07 155.82 32.22 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.664 2.243 . . . . 0.0 112.243 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.88 128.94 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.496 ' O ' HG23 ' A' ' 991' ' ' THR . 72.0 m-20 52.87 31.79 11.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -178.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.91 166.88 28.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.61 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.1 ptm -143.22 129.76 20.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.7 p -82.14 142.96 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.011 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -102.2 86.13 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.67 122.96 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 175.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.64 HG12 HG22 ' A' ' 986' ' ' ILE . 48.2 mm -56.25 -81.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 -175.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 46.5 p -147.65 -57.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.042 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -132.25 -3.98 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.558 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 40.0 pt 39.9 49.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.744 173.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 981' ' ' GLN . . . . . 0.741 ' HB3' ' HE2' ' A' ' 961' ' ' LYS . 51.5 mt-30 -70.64 -169.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.724 176.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 982' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' A' ' 961' ' ' LYS . 47.4 t -65.48 130.69 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.038 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.17 -12.16 70.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 54.9 m -66.96 156.99 34.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' 1002 ' ' ALA . 40.2 ttm180 -139.6 115.58 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.64 HG22 HG12 ' A' ' 977' ' ' ILE . 38.5 pt -102.55 176.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 175.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 67.5 p -135.13 140.33 45.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.198 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.457 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 77.2 m-85 -102.49 146.15 28.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 54.0 m -154.14 135.79 14.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 111.203 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 14.9 t -88.02 175.32 7.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.376 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 971' ' ' ASN . 3.8 p -58.56 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.942 0.401 . . . . 0.0 111.416 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 992' ' ' THR . . . . . 0.513 HG22 ' N ' ' A' ' 993' ' ' GLY . 5.8 m -77.89 168.93 19.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.625 177.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 993' ' ' GLY . . . . . 0.513 ' N ' HG22 ' A' ' 992' ' ' THR . . . -53.87 96.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.466 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.625 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 28.9 m-70 -133.72 160.62 37.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.852 -176.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.1 140.43 29.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' 1018 ' ' PRO . 20.7 tp -91.62 129.54 37.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.718 HD13 ' HB ' ' A' 1019 ' ' ILE . 4.0 mp -82.31 85.91 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.975 0.417 . . . . 0.0 110.686 175.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 146.48 -108.62 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.362 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -154.76 128.25 8.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.702 0.287 . . . . 0.0 110.739 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 79.2 p -79.86 41.63 0.51 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.279 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 85.0 p -175.42 151.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 985' ' ' ARG . . . -146.78 168.49 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -142.5 135.39 28.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.759 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 1.7 m -65.73 103.88 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 31.5 pt -121.41 125.85 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.184 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' 1006 ' ' LEU . 4.5 mp -83.25 130.75 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.877 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.0 p -100.13 16.75 23.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 140.19 -101.33 0.3 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 57.3 t30 -96.53 -4.52 41.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.783 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 6.9 t -128.78 155.09 45.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.48 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -124.89 133.32 53.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.2 p80 -145.77 -176.73 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1013 ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.99 153.84 18.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 33.6 t -93.81 33.71 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 9.8 t -132.99 140.9 48.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.33 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.463 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.0 OUTLIER -74.96 159.63 82.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.73 176.212 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1017 ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 7.2 Cg_endo -49.45 107.87 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.783 2.322 . . . . 0.0 112.186 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.749 ' HB2' HD11 ' A' ' 996' ' ' LEU . 58.5 Cg_endo -71.94 146.59 47.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.717 2.278 . . . . 0.0 112.55 -174.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.718 ' HB ' HD13 ' A' ' 997' ' ' ILE . 10.9 mt -132.02 164.57 34.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.642 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.486 ' N ' HG22 ' A' 1019 ' ' ILE . 48.6 t -105.35 122.25 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.746 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -46.56 16.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 -174.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.625 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 58.8 ttp180 65.12 112.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.179 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 3.4 pt -107.04 107.16 60.07 Favored Pre-proline 0 N--CA 1.451 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.189 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 122.541 2.16 . . . . 0.0 112.229 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.718 0.294 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -151.31 171.02 18.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.054 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.72 18.92 3.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.044 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -103.97 -168.82 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.049 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.502 ' HB2' ' NZ ' ' A' ' 961' ' ' LYS . 4.7 ttmp? 64.64 166.76 0.16 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 962' ' ' SER . . . . . 0.467 ' N ' ' HG2' ' A' ' 961' ' ' LYS . 49.8 m 63.14 94.68 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.047 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 88.5 m -74.88 169.85 17.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.961 177.183 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 964' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 964' ' ' LYS . 0.3 OUTLIER -78.89 110.84 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 -179.521 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 61.1 p -59.41 135.79 88.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.13 112.76 1.32 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.64 2.227 . . . . 0.0 112.227 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.92 71.85 4.07 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.582 2.188 . . . . 0.0 112.391 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.4 t70 51.65 91.83 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.245 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.51 -154.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.838 2.359 . . . . 0.0 112.397 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.821 HG22 ' H ' ' A' ' 971' ' ' ASN . 3.1 p -55.56 -174.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.868 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.821 ' H ' HG22 ' A' ' 970' ' ' VAL . 12.5 m120 -42.38 -32.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 111.357 -176.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.633 ' H ' HG13 ' A' ' 970' ' ' VAL . . . -70.13 111.11 3.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.581 176.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.86 146.32 54.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.819 0.342 . . . . 0.0 110.972 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.26 149.68 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -126.02 150.96 47.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 95.1 t -111.26 115.81 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.814 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.639 HG22 HG23 ' A' ' 978' ' ' THR . 50.4 mm -65.31 -51.28 66.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.28 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 978' ' ' THR . . . . . 0.639 HG23 HG22 ' A' ' 977' ' ' ILE . 54.1 p -140.49 -65.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.305 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -144.79 -173.34 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.475 HG23 ' HZ2' ' A' 1013 ' ' TRP . 27.6 mm -123.87 65.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.697 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -122.82 165.17 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.703 -177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 982' ' ' VAL . . . . . 0.429 ' HA ' ' HB3' ' A' 1004 ' ' CYS . 4.6 p -64.05 120.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.964 177.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 106.88 -11.4 41.35 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.465 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 52.4 m -93.5 142.92 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.757 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' 1002 ' ' ALA . 60.7 ttp180 -119.1 121.62 40.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.995 -177.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.504 ' HA ' HG12 ' A' ' 977' ' ' ILE . 42.2 pt -94.29 175.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 175.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 76.1 p -133.99 133.04 40.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.348 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -95.94 152.24 18.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.597 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.7 m -147.93 133.51 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.057 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 990' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 994' ' ' HIS . 95.3 m -84.73 172.21 11.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.021 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 22.8 p -62.16 -76.61 0.06 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.51 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 28.2 m -120.1 74.65 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 56.66 86.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.862 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.545 ' HB2' ' SG ' ' A' ' 990' ' ' CYS . 15.9 m-70 -127.6 136.03 51.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.728 0.299 . . . . 0.0 110.777 176.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -71.0 113.99 8.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 996' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.23 131.04 44.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.003 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.628 HD12 ' HB ' ' A' 1019 ' ' ILE . 1.7 mt -89.52 34.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.393 0.616 . . . . 0.0 110.553 177.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -160.7 -110.05 0.26 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.438 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 999' ' ' HIS . . . . . 0.509 ' HB2' HG21 ' A' 1015 ' ' THR . 1.5 t-80 -137.52 141.71 41.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 34.3 t -87.17 28.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.957 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 80.9 p -168.61 169.9 9.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.64 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -163.35 155.4 17.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.67 133.94 45.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.989 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1004 ' ' CYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 52.5 t -64.24 96.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.827 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 33.9 pt -99.73 -178.41 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.413 -176.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 7.2 mt 54.03 -171.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.388 -175.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 58.4 m -172.87 -178.71 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.787 -170.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 63.34 -126.08 35.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.681 176.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -74.17 -6.28 46.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.916 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1010 ' ' THR . . . . . 0.474 HG22 ' H ' ' A' 1011 ' ' ALA . 3.9 m -125.24 162.4 24.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.474 ' H ' HG22 ' A' 1010 ' ' THR . . . 173.5 118.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.69 -170.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 3.2 p80 -167.38 171.7 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.855 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.64 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 80.9 m95 -92.03 145.27 24.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.778 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 52.2 m -52.85 -70.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -173.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1015 ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 999' ' ' HIS . 79.0 p -82.0 138.97 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -57.56 155.64 19.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.917 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.07 107.43 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.74 2.293 . . . . 0.0 112.47 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.69 156.64 26.56 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.65 2.234 . . . . 0.0 112.42 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 997' ' ' ILE . 10.4 mt -127.57 162.86 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.671 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.457 ' N ' HG22 ' A' 1019 ' ' ILE . 70.0 m -107.6 107.86 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -68.83 -24.08 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.988 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.543 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 57.3 ttp180 63.86 115.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1023 ' ' ILE . . . . . 0.662 ' HB ' ' HD3' ' A' 1024 ' ' PRO . 64.1 mt -95.18 -51.65 0.24 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.533 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1024 ' ' PRO . . . . . 0.662 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 48.9 Cg_exo . . . . . 0 C--O 1.248 1.024 0 C-N-CA 122.325 2.016 . . . . 0.0 112.315 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -123.66 44.45 2.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -136.44 134.14 37.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -141.27 119.89 12.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.781 ' HD2' ' HB ' ' A' ' 982' ' ' VAL . 5.0 tppp? 55.71 72.97 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 62.5 m -159.03 108.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 1.7 p -81.58 152.98 26.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -166.33 78.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.365 -175.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 965' ' ' THR . . . . . 0.813 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 91.0 m -112.67 -55.14 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.009 -170.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.813 ' HD2' ' H ' ' A' ' 965' ' ' THR . 22.2 Cg_endo -61.11 106.99 0.42 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.674 2.249 . . . . 0.0 112.533 -171.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 967' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 965' ' ' THR . 73.0 Cg_endo -89.82 55.7 1.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.944 2.43 . . . . 0.0 112.235 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 8.8 t70 55.34 94.82 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.41 144.46 18.11 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.815 2.343 . . . . 0.0 112.598 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.41 128.78 18.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.022 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 991' ' ' THR . 78.2 m-20 52.81 78.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.722 -176.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 140.41 -159.13 26.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.524 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.6 ptm -164.05 148.75 10.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 0.0 111.026 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.1 p -95.8 145.72 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.016 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -117.94 123.17 45.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.001 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.74 139.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 49.6 mm -57.61 -73.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.131 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 60.8 m -140.74 -41.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -139.18 176.35 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.651 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 30.6 mt -125.0 68.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.018 0.437 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -125.3 -177.76 3.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.762 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 982' ' ' VAL . . . . . 0.781 ' HB ' ' HD2' ' A' ' 961' ' ' LYS . 7.1 p -58.72 140.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.088 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 90.71 -17.69 53.61 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 50.2 m -73.12 151.64 41.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.741 0.305 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 985' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 1002 ' ' ALA . 40.3 ttm180 -138.67 88.9 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 34.9 pt -77.57 171.36 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 73.4 p -132.4 140.24 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.323 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -101.94 143.33 31.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.687 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 51.6 m -119.6 -36.98 3.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.351 -174.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 42.7 t 62.24 163.92 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.547 HG23 ' ND1' ' A' ' 994' ' ' HIS . 4.4 t -58.12 144.32 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.054 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 5.7 t -56.11 137.46 51.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.274 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 89.51 15.21 58.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.391 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.547 ' ND1' HG23 ' A' ' 991' ' ' THR . 51.8 m80 -136.66 118.67 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 111.0 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -94.69 114.15 26.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.701 176.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 996' ' ' LEU . 3.0 pp -57.51 154.45 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -176.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 40.5 mm -127.95 90.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.054 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 998' ' ' GLY . . . . . 0.569 ' HA3' ' HD3' ' A' 1016 ' ' LYS . . . 137.88 -46.1 1.02 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.89 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 999' ' ' HIS . . . . . 0.492 ' CD2' ' HA ' ' A' 1018 ' ' PRO . 3.8 m-70 -68.6 -77.81 0.07 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -172.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1000 ' ' SER . . . . . 0.43 ' H ' HD13 ' A' ' 996' ' ' LEU . 96.3 p 51.08 54.61 10.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.429 -174.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1001 ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' 1000 ' ' SER . 43.7 t 67.52 158.34 0.14 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.987 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.487 ' HB2' HG23 ' A' 1015 ' ' THR . . . -142.24 -179.16 6.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.264 -175.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -139.96 122.4 16.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.741 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.6 t -60.26 99.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 40.3 pt -122.18 132.82 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.617 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.5 mp -84.07 143.47 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.2 p -140.3 23.07 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 162.17 -124.06 1.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 58.1 t30 -92.39 -5.25 52.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.786 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 58.2 m -142.02 141.84 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.617 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -87.88 131.52 34.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -124.47 159.39 30.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.488 ' CD1' ' HB ' ' A' ' 965' ' ' THR . 62.5 m95 -88.83 155.05 19.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.6 m -82.2 37.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.291 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1015 ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' 1002 ' ' ALA . 43.2 p -138.81 128.79 25.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.917 0.389 . . . . 0.0 111.412 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.596 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.0 OUTLIER -61.38 165.73 6.47 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.733 175.8 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1017 ' ' PRO . . . . . 0.596 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 70.6 Cg_exo -38.97 134.96 0.89 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.774 2.316 . . . . 0.0 112.757 178.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.492 ' HA ' ' CD2' ' A' ' 999' ' ' HIS . 31.9 Cg_exo -59.88 142.06 97.84 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.776 2.317 . . . . 0.0 112.792 -171.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' 1020 ' ' CYS . 12.0 mt -135.8 163.71 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.571 173.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 94.6 m -146.45 133.54 20.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.951 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -113.03 121.8 45.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -60.6 127.41 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 63.6 mt -88.25 112.81 52.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.499 2.133 . . . . 0.0 112.318 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -144.56 -63.9 0.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -156.43 96.7 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -152.2 23.96 0.64 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.072 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 22.0 pttp -98.88 137.16 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.025 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 80.0 p -171.68 27.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 963' ' ' CYS . . . . . 0.588 ' HB2' HG22 ' A' ' 980' ' ' ILE . 55.5 m -94.92 133.57 38.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.841 -178.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -84.1 99.54 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 965' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 965' ' ' THR . 0.0 OUTLIER -57.07 149.49 45.4 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.659 -176.579 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.613 ' HG2' HG11 ' A' ' 974' ' ' VAL . 72.5 Cg_endo -75.45 142.72 26.86 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.976 2.451 . . . . 0.0 112.363 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.93 145.22 35.63 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.583 2.189 . . . . 0.0 112.276 177.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.31 119.17 70.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 969' ' ' PRO . . . . . 0.521 ' HG3' ' HE1' ' A' ' 988' ' ' TYR . 71.6 Cg_endo -76.85 -166.25 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.597 2.198 . . . . 0.0 112.453 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 11.5 p -72.27 136.7 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 991' ' ' THR . 65.9 m-20 54.12 20.69 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.081 177.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 990' ' ' CYS . . . -135.72 158.44 23.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.749 -174.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.8 ptm -155.47 128.67 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.71 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 974' ' ' VAL . . . . . 0.613 HG11 ' HG2' ' A' ' 966' ' ' PRO . 9.9 m -71.76 175.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.373 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 975' ' ' HIS . . . . . 0.51 ' HB3' ' OG1' ' A' ' 987' ' ' THR . 29.1 t60 -147.68 92.77 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.816 -178.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 976' ' ' VAL . . . . . 0.59 ' HA ' HG22 ' A' ' 986' ' ' ILE . 7.7 m -72.05 135.29 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 50.7 mm -51.45 -71.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.069 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 59.4 m -146.49 -33.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.71 -179.54 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.689 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.588 HG22 ' HB2' ' A' ' 963' ' ' CYS . 26.6 mt -119.77 63.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.05 0.452 . . . . 0.0 110.787 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 981' ' ' GLN . . . . . 0.65 ' HA ' ' HA ' ' A' ' 961' ' ' LYS . 13.8 pt20 -117.82 151.3 37.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.853 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 6.0 p -59.14 128.05 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 116.56 -20.04 12.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.428 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 81.1 p -82.07 -179.46 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 0.0 110.807 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -147.93 86.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.992 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.59 HG22 ' HA ' ' A' ' 976' ' ' VAL . 44.6 pt -70.65 172.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 176.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 987' ' ' THR . . . . . 0.51 ' OG1' ' HB3' ' A' ' 975' ' ' HIS . 82.4 p -123.72 172.23 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 111.273 -177.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.521 ' HE1' ' HG3' ' A' ' 969' ' ' PRO . 0.7 OUTLIER -140.11 92.99 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.644 -175.637 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 79.0 p -114.29 130.39 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.2 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 990' ' ' CYS . . . . . 0.429 ' HA ' ' HA2' ' A' ' 972' ' ' GLY . 77.1 m -88.51 -169.89 2.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.667 173.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.497 HG23 ' ND1' ' A' ' 994' ' ' HIS . 3.3 t -72.77 149.8 43.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 62.1 m -58.95 106.82 0.45 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 993' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . 125.51 6.65 6.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.438 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 991' ' ' THR . 32.4 m80 -133.75 108.24 8.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 110.813 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.553 ' NH1' HG13 ' A' ' 997' ' ' ILE . 0.0 OUTLIER -77.86 146.0 35.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.008 -178.253 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.761 HD13 ' HA ' ' A' 1000 ' ' SER . 2.3 mt -79.53 141.46 36.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.089 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.847 HD13 ' HB ' ' A' 1019 ' ' ILE . 3.6 mp -105.42 63.7 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.532 171.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -165.28 -118.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.677 -176.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -111.01 -20.34 12.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.727 0.299 . . . . 0.0 111.328 -173.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1000 ' ' SER . . . . . 0.761 ' HA ' HD13 ' A' ' 996' ' ' LEU . 34.9 t 59.69 19.24 7.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 35.5 t -173.33 178.39 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.435 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -157.04 151.68 25.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.882 0.372 . . . . 0.0 111.466 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -145.5 115.9 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 44.6 t -64.27 105.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -174.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 27.8 pt -100.39 -171.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.296 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 30.5 mt 57.0 -173.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.108 -176.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 74.9 m -169.81 175.13 5.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.016 -170.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 59.99 -124.96 37.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.554 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.87 -21.06 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.41 . . . . 0.0 110.836 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.5 153.51 19.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.261 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . 179.99 101.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.562 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 58.1 m80 -138.46 168.0 20.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.996 -170.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1013 ' ' TRP . . . . . . . . . . . . . 82.8 m95 -105.44 130.65 53.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.663 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 51.2 m -60.63 -16.27 36.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.46 -170.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 8.1 t -84.95 141.72 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 0.0 111.461 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1016 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 151.51 55.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.42 172.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.09 104.07 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.619 2.213 . . . . 0.0 112.042 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.478 ' O ' HD13 ' A' 1019 ' ' ILE . 84.8 Cg_endo -82.25 178.6 6.16 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.679 2.253 . . . . 0.0 112.493 -173.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.847 ' HB ' HD13 ' A' ' 997' ' ' ILE . 12.5 mm -125.29 163.0 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.459 ' N ' HG22 ' A' 1019 ' ' ILE . 37.3 m -114.06 78.77 1.18 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.727 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -96.95 136.28 37.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 993' ' ' GLY . 58.3 ttp180 -60.62 132.24 53.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1023 ' ' ILE . . . . . 0.45 HG12 ' HB3' ' A' ' 995' ' ' ARG . 63.0 mt -62.7 125.98 87.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 -178.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.25 1.083 0 C-N-CA 122.538 2.159 . . . . 0.0 112.297 179.619 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.696 0.284 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 62.77 -83.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.364 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -102.44 126.47 49.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.001 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -90.03 146.53 24.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 961' ' ' LYS . . . . . 0.451 ' HE2' ' H ' ' A' ' 980' ' ' ILE . 95.8 mttt 65.18 139.61 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.086 -178.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 36.2 t -142.39 -19.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 963' ' ' CYS . . . . . 0.434 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 86.6 m -95.79 127.03 41.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.94 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -75.22 128.87 36.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 965' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 966' ' ' PRO . 58.3 p -53.83 135.85 55.92 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.03 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 965' ' ' THR . 15.7 Cg_exo -68.03 135.85 36.16 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.649 2.233 . . . . 0.0 112.225 -174.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.84 123.99 10.98 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.546 2.164 . . . . 0.0 112.148 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 968' ' ' ASP . . . . . 0.472 ' OD1' ' HA ' ' A' ' 973' ' ' MET . 9.3 m-20 -63.56 111.12 4.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -177.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.37 -168.81 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.63 2.22 . . . . 0.0 112.167 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.92 127.35 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.054 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 991' ' ' THR . 79.1 m-20 50.14 49.02 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.17 163.99 28.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.597 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 973' ' ' MET . . . . . 0.472 ' HA ' ' OD1' ' A' ' 968' ' ' ASP . 0.0 OUTLIER -163.99 140.74 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.994 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 974' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 986' ' ' ILE . 9.8 p -95.82 147.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -79.14 -47.28 16.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.249 -173.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 73.3 t 54.51 97.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.037 0.446 . . . . 0.0 111.003 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.16 -68.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.382 -175.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 62.8 m -156.54 -67.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.304 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 979' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 981' ' ' GLN . 9.7 m-20 -101.6 131.78 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.997 -175.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.451 ' H ' ' HE2' ' A' ' 961' ' ' LYS . 18.3 mt -87.5 2.0 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.68 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 981' ' ' GLN . . . . . 0.459 ' HG2' ' HB3' ' A' ' 979' ' ' ASP . 19.7 pt20 -57.73 147.47 27.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.939 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 982' ' ' VAL . . . . . 0.427 ' HA ' ' HB3' ' A' 1004 ' ' CYS . 7.7 p -59.42 134.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 115.93 -10.48 18.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.422 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 46.8 t -91.71 166.84 12.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -140.24 91.05 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.447 HD12 HG21 ' A' ' 974' ' ' VAL . 34.1 pt -78.61 169.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 67.5 p -117.95 154.07 32.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.481 ' HB3' ' HA ' ' A' 1000 ' ' SER . 1.0 OUTLIER -129.48 138.16 51.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.769 -174.632 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 989' ' ' SER . . . . . 0.673 ' HA ' HD11 ' A' ' 996' ' ' LEU . 89.9 p -159.87 152.6 21.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.174 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 990' ' ' CYS . . . . . 0.477 ' SG ' ' HG ' ' A' ' 996' ' ' LEU . 71.1 m -94.4 -169.46 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.738 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 971' ' ' ASN . 20.4 p -62.69 176.24 0.7 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.386 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 75.7 m -63.92 116.6 5.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 993' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . 90.93 23.26 30.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' A' ' 990' ' ' CYS . 56.0 m80 -137.02 116.85 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.829 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 995' ' ' ARG . . . . . 0.7 ' HB2' HD11 ' A' 1023 ' ' ILE . 96.4 mtt180 -112.5 135.3 53.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.035 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' A' ' 989' ' ' SER . 2.3 mp -70.42 149.27 47.43 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.932 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 20.8 mm -96.66 55.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.521 172.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -154.03 -119.76 0.74 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.704 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -107.24 -32.5 7.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.619 0.247 . . . . 0.0 111.261 -173.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1000 ' ' SER . . . . . 0.481 ' HA ' ' HB3' ' A' ' 988' ' ' TYR . 90.6 p 49.1 29.42 2.49 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.031 -175.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 70.3 m -164.29 118.97 1.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -109.99 148.05 32.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.382 -174.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -141.29 120.83 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.713 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1004 ' ' CYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 44.2 t -62.14 113.99 3.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.1 pt -136.77 153.87 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.354 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.473 HD23 ' HB2' ' A' 1011 ' ' ALA . 60.6 mt -95.5 135.73 36.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.6 p -115.36 -41.29 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -150.59 -71.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.561 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.0 p30 -140.0 2.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 72.4 m -144.8 104.83 4.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.473 ' HB2' HD23 ' A' 1006 ' ' LEU . . . -60.45 137.76 58.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.9 p80 -147.07 173.74 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.798 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.669 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 64.8 m95 -86.91 145.62 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.8 m -66.35 -5.21 9.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 62.4 p -86.41 103.73 15.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.431 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.427 ' O ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -61.88 160.48 28.31 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 171.426 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1017 ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 5.6 Cg_endo -47.85 102.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.859 2.373 . . . . 0.0 112.218 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.614 ' HB2' HD23 ' A' ' 996' ' ' LEU . 97.2 Cg_endo -85.12 169.43 10.07 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.759 2.306 . . . . 0.0 112.703 -172.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' 1020 ' ' CYS . 10.5 mt -129.59 163.29 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.58 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.466 ' N ' HG22 ' A' 1019 ' ' ILE . 72.4 m -115.66 119.28 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.836 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.22 112.02 17.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 993' ' ' GLY . 38.9 ttm180 -55.7 134.27 51.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 177.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1023 ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 995' ' ' ARG . 21.9 mm -87.71 -50.7 0.42 Allowed Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.601 -174.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1024 ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' 1023 ' ' ILE . 55.7 Cg_endo . . . . . 0 C--O 1.25 1.123 0 C-N-CA 122.135 1.89 . . . . 0.0 112.277 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -79.78 137.69 37.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -89.46 90.43 8.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -154.67 -0.36 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -73.71 161.18 30.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.733 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 43.5 t 62.11 98.55 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 35.2 m -87.39 155.69 19.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.869 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -166.07 110.07 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 965' ' ' THR . . . . . 0.674 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 96.0 m -160.41 -55.98 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.988 -172.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.674 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 33.3 Cg_exo -61.04 122.53 11.33 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.548 2.166 . . . . 0.0 112.522 -169.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.75 176.73 1.19 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.613 2.209 . . . . 0.0 112.008 173.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 968' ' ' ASP . . . . . 0.721 ' HA ' HG11 ' A' ' 974' ' ' VAL . 4.4 p-10 -106.99 100.49 32.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.131 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 969' ' ' PRO . . . . . 0.767 ' HD2' ' HB ' ' A' ' 974' ' ' VAL . 66.1 Cg_exo -51.24 145.06 27.99 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.31 141.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.245 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 57.18 58.37 3.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 972' ' ' GLY . . . . . 0.549 ' HA3' ' HA ' ' A' ' 990' ' ' CYS . . . 163.99 153.55 7.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.762 177.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.1 ptp -83.93 159.02 21.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.73 0.3 . . . . 0.0 110.792 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 974' ' ' VAL . . . . . 0.767 ' HB ' ' HD2' ' A' ' 969' ' ' PRO . 7.4 p -139.64 146.91 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.464 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 975' ' ' HIS . . . . . 0.607 ' HD2' ' HB2' ' A' ' 966' ' ' PRO . 16.5 p80 40.82 -163.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.311 177.011 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 976' ' ' VAL . . . . . 0.436 ' O ' HG12 ' A' ' 976' ' ' VAL . 71.0 t 44.49 85.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.227 -169.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 44.4 mm -95.85 -41.92 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.713 171.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 978' ' ' THR . . . . . 0.509 HG22 ' OD2' ' A' ' 979' ' ' ASP . 50.4 m -155.66 -43.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.677 175.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 979' ' ' ASP . . . . . 0.509 ' OD2' HG22 ' A' ' 978' ' ' THR . 10.7 m-20 -153.3 122.62 6.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.463 HG22 HG21 ' A' ' 986' ' ' ILE . 15.9 pt -105.32 41.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 981' ' ' GLN . . . . . 0.478 ' OE1' ' HB3' ' A' ' 979' ' ' ASP . 23.8 mp0 -89.94 -174.91 4.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.668 174.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.72 139.78 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.055 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 85.65 5.49 84.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.587 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 49.3 m -92.96 170.08 9.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.726 0.298 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -147.13 96.83 2.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 987' ' ' THR . 2.7 pp -89.99 -168.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.069 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 987' ' ' THR . . . . . 0.469 ' N ' HD12 ' A' ' 986' ' ' ILE . 33.6 p -151.04 151.88 32.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.267 -173.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -102.06 116.53 32.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.662 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 56.8 m -90.3 -70.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 -174.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 990' ' ' CYS . . . . . 0.549 ' HA ' ' HA3' ' A' ' 972' ' ' GLY . 18.7 t 62.77 156.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 2.0 t -62.8 141.41 58.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.244 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 59.5 m -55.17 130.6 42.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.241 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 113.65 -37.14 3.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.332 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.547 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 0.4 OUTLIER -77.57 104.31 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.851 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -76.12 125.61 29.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' 1019 ' ' ILE . 73.0 mt -72.71 134.5 45.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.912 HD11 ' HB2' ' A' 1021 ' ' GLN . 4.0 mp -98.78 71.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 172.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 998' ' ' GLY . . . . . 0.493 ' HA3' ' HB3' ' A' 1018 ' ' PRO . . . -170.05 -108.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.495 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -141.38 -13.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.776 -177.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 37.5 t 62.68 19.15 11.16 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.971 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 46.8 t -171.83 164.83 6.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.79 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -158.92 163.04 36.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.298 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -135.22 119.19 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.602 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1004 ' ' CYS . . . . . 0.517 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 47.2 t -73.82 101.04 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.99 -174.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.6 pt -116.71 148.29 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.136 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.509 ' H ' HD12 ' A' 1006 ' ' LEU . 5.4 mp -70.86 100.28 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 79.0 p -73.43 -19.79 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 178.2 -98.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.49 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -101.11 6.97 43.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 39.2 m -152.69 144.73 23.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.517 ' HB1' ' SG ' ' A' 1004 ' ' CYS . . . -78.51 113.84 16.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 -178.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -128.89 141.82 51.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.554 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 67.1 m95 -67.07 151.82 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.984 -177.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.7 m -68.34 -62.28 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 63.3 p -64.47 178.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.38 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.823 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -109.04 144.33 29.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.689 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.77 109.39 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.612 2.208 . . . . 0.0 112.469 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.493 ' HB3' ' HA3' ' A' ' 998' ' ' GLY . 63.8 Cg_endo -73.27 178.74 6.21 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.608 2.205 . . . . 0.0 112.244 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.828 HG23 HD13 ' A' ' 997' ' ' ILE . 5.3 tp -144.44 160.19 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 111.368 -177.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.609 ' N ' HG13 ' A' 1019 ' ' ILE . 83.2 m -94.92 103.98 15.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.748 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1021 ' ' GLN . . . . . 0.912 ' HB2' HD11 ' A' ' 997' ' ' ILE . 64.8 tt0 -64.96 -41.39 95.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 -176.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 62.07 113.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.042 -175.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1023 ' ' ILE . . . . . 0.441 ' O ' HD12 ' A' 1023 ' ' ILE . 1.3 pp -94.27 152.45 40.24 Favored Pre-proline 0 N--CA 1.454 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.237 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 122.566 2.177 . . . . 0.0 112.295 179.487 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.724 0.297 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 61.73 174.19 0.12 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.266 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 959' ' ' GLU . . . . . 0.418 ' OE1' ' HA3' ' A' ' 983' ' ' GLY . 13.9 mm-40 -117.18 88.03 2.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -157.09 -175.2 5.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 87.8 tttt 65.07 153.75 0.06 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.029 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 57.0 m -108.14 128.1 54.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 963' ' ' CYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 980' ' ' ILE . 60.8 m -94.18 134.65 36.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -59.35 110.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 30.1 p -68.68 145.38 96.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.112 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 966' ' ' PRO . . . . . 0.425 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 74.5 Cg_endo -77.09 138.87 18.6 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.647 2.231 . . . . 0.0 112.567 -175.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.89 156.08 52.84 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.59 2.193 . . . . 0.0 112.167 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -58.03 111.54 3.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.045 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.91 153.08 59.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.613 2.209 . . . . 0.0 112.322 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.05 129.31 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 971' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 991' ' ' THR . 13.6 m120 53.83 28.09 7.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -177.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -144.07 -172.67 14.93 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.0 ptp -166.62 130.9 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.954 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 974' ' ' VAL . . . . . 0.475 HG21 HD12 ' A' ' 986' ' ' ILE . 8.6 p -85.08 143.69 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.925 177.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -88.1 -41.49 13.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.238 -172.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 976' ' ' VAL . . . . . 0.406 ' HA ' ' CG2' ' A' ' 986' ' ' ILE . 87.5 t 49.89 88.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.973 0.416 . . . . 0.0 110.948 -175.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 977' ' ' ILE . . . . . 0.731 HG22 HG23 ' A' ' 978' ' ' THR . 3.2 mp -67.61 -71.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.221 -173.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 978' ' ' THR . . . . . 0.731 HG23 HG22 ' A' ' 977' ' ' ILE . 71.9 p -107.21 -58.25 1.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.315 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -144.06 -168.43 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.6 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 980' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 963' ' ' CYS . 1.5 pp -144.33 31.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -177.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -115.88 -166.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.681 176.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.91 130.97 25.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 983' ' ' GLY . . . . . 0.418 ' HA3' ' OE1' ' A' ' 959' ' ' GLU . . . 92.24 -8.76 77.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 60.3 p -105.45 124.57 49.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.339 . . . . 0.0 110.987 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -106.18 124.84 50.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 986' ' ' ILE . . . . . 0.501 ' HA ' HD13 ' A' ' 977' ' ' ILE . 35.4 pt -110.67 173.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 175.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 68.2 p -131.11 143.02 50.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.35 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 988' ' ' TYR . . . . . 0.425 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 64.2 m-85 -109.81 150.13 28.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.735 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 55.3 m -151.42 130.35 12.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 44.3 t -110.79 172.12 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 991' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 971' ' ' ASN . 10.7 p -58.49 150.14 23.45 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.267 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 6.3 t -64.57 139.11 58.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.305 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 91.29 17.92 48.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.33 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 994' ' ' HIS . . . . . 0.415 ' CD2' ' HA ' ' A' 1022 ' ' ARG . 14.2 m80 -130.4 140.24 50.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 110.764 -177.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -91.71 110.0 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 996' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 997' ' ' ILE . 2.1 tm? -66.38 130.28 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 997' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' 1018 ' ' PRO . 77.6 mt -98.75 126.11 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.761 174.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 998' ' ' GLY . . . . . 0.742 ' HA2' ' HD3' ' A' 1016 ' ' LYS . . . 132.05 -103.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.34 -172.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -165.58 17.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 110.995 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1000 ' ' SER . . . . . 0.429 ' H ' HD12 ' A' ' 996' ' ' LEU . 36.5 t 56.21 15.47 1.9 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.176 -178.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 45.6 t -171.76 160.12 5.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1002 ' ' ALA . . . . . 0.806 ' HB2' HG23 ' A' 1015 ' ' THR . . . -148.92 146.26 27.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 111.565 -176.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -136.07 119.98 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.295 170.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 36.0 t -53.64 98.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1005 ' ' ILE . . . . . 0.566 HD13 ' HG ' ' A' 1006 ' ' LEU . 1.7 pp -89.18 -170.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.718 -174.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1006 ' ' LEU . . . . . 0.566 ' HG ' HD13 ' A' 1005 ' ' ILE . 28.7 mt 61.79 -82.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.021 -172.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 38.6 m 56.68 26.32 11.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 111.04 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -122.46 -97.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.193 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 7.6 p30 -78.41 -7.32 57.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.403 . . . . 0.0 110.55 173.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1010 ' ' THR . . . . . 0.756 HG22 ' H ' ' A' 1011 ' ' ALA . 0.6 OUTLIER -152.93 -172.99 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.492 177.7 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1011 ' ' ALA . . . . . 0.756 ' H ' HG22 ' A' 1010 ' ' THR . . . -176.44 117.77 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.088 -174.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 9.4 p80 -163.58 174.63 11.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1013 ' ' TRP . . . . . 0.496 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 87.2 m95 -90.58 152.17 21.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 82.6 p -81.25 -3.76 53.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.312 -172.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1015 ' ' THR . . . . . 0.806 HG23 ' HB2' ' A' 1002 ' ' ALA . 21.0 p -79.66 151.74 30.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.238 178.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1016 ' ' LYS . . . . . 0.748 ' HB3' ' HD2' ' A' 1018 ' ' PRO . 13.0 mptt -92.38 141.15 24.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1017 ' ' PRO . . . . . 0.431 ' HB2' ' HD3' ' A' 1018 ' ' PRO . 75.8 Cg_exo -47.07 -45.84 20.41 Favored 'Trans proline' 0 CA--C 1.535 0.536 0 C-N-CA 122.672 2.248 . . . . 0.0 113.196 175.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1018 ' ' PRO . . . . . 0.748 ' HD2' ' HB3' ' A' 1016 ' ' LYS . 95.6 Cg_exo -43.13 -47.7 8.42 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.356 2.037 . . . . 0.0 112.845 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1019 ' ' ILE . . . . . 0.809 HG13 ' H ' ' A' 1020 ' ' CYS . 6.3 tp 46.28 -161.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.25 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1020 ' ' CYS . . . . . 0.809 ' H ' HG13 ' A' 1019 ' ' ILE . 52.9 t -35.36 125.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.269 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -92.66 -35.53 13.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -170.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1022 ' ' ARG . . . . . 0.415 ' HA ' ' CD2' ' A' ' 994' ' ' HIS . 55.7 ttp180 63.0 113.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 7.3 pt -101.1 144.71 29.1 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo . . . . . 0 C--O 1.25 1.102 0 C-N-CA 122.559 2.173 . . . . 0.0 112.321 179.01 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.747 0.308 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 89.0 m -95.87 126.8 41.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.056 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -74.44 130.85 40.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 70.8 p -60.79 134.49 92.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.161 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.465 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 60.5 Cg_endo -72.52 148.9 48.81 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.76 146.49 78.71 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.59 2.194 . . . . 0.0 112.2 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.08 115.25 11.33 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.37 155.83 23.76 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.36 131.51 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.5 ' O ' HG23 ' A' ' 991' ' ' THR . 78.0 m-20 53.5 30.5 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.971 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -151.56 -170.88 18.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 25.1 ptm -161.52 141.91 10.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.68 144.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -122.29 131.02 53.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.43 130.95 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.737 HG12 ' HA ' ' A' ' 986' ' ' ILE . 51.0 mm -76.12 -47.93 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.195 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . 0.539 HG23 HG22 ' A' ' 977' ' ' ILE . 47.9 p -142.53 -63.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.263 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -148.62 171.22 16.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.756 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 8.3 mt -96.99 32.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.751 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -85.5 144.44 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.878 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' 1004 ' ' CYS . 7.0 p -58.04 133.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 105.51 -7.11 42.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.465 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 52.2 m -86.67 178.18 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -148.83 91.08 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.972 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.737 ' HA ' HG12 ' A' ' 977' ' ' ILE . 39.8 pt -76.96 179.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 988' ' ' TYR . 4.1 m -136.88 164.06 29.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.025 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.482 ' HE1' ' HB2' ' A' 1002 ' ' ALA . 87.3 m-85 -123.13 157.1 33.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.785 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 30.6 t -141.47 173.66 11.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.016 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 35.8 t -159.07 171.77 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.56 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 971' ' ' ASN . 14.0 p -56.56 146.78 23.98 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.191 178.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 63.7 m -60.99 118.0 6.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 116.7 -9.69 16.46 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.569 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 3.4 m80 -107.22 120.06 41.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.681 0.277 . . . . 0.0 110.828 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.739 ' HB3' HE21 ' A' 1021 ' ' GLN . 30.0 tpt180 -82.51 139.98 33.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.786 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' 1018 ' ' PRO . 1.2 tm? -71.35 113.64 8.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 29.5 mm -82.72 70.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.772 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -178.57 -120.73 0.67 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.557 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -122.44 -11.1 8.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 111.049 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 49.2 m 60.0 25.95 15.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.681 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 94.2 p -163.39 172.18 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.785 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.482 ' HB2' ' HE1' ' A' ' 988' ' ' TYR . . . -152.07 160.94 43.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -145.25 113.34 6.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . 0.406 ' O ' HG23 ' A' ' 982' ' ' VAL . 52.8 t -63.32 99.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 40.1 pt -124.17 139.84 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.573 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.3 mp -85.95 125.16 33.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.803 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 81.2 p -93.92 18.08 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 131.54 -89.43 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.445 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -111.71 8.57 20.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.808 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 61.9 m -148.11 119.73 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.049 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.573 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -91.25 132.53 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.197 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.2 p80 -147.23 173.25 12.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.464 ' NE1' ' HD3' ' A' ' 966' ' ' PRO . 67.6 m95 -85.15 133.86 34.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.773 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.8 t -65.89 -17.06 64.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.333 -172.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 9.2 t -91.58 138.12 31.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 111.352 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.648 ' HD3' ' H ' ' A' 1016 ' ' LYS . 0.3 OUTLIER -75.51 157.61 84.24 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.612 174.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.0 Cg_endo -50.61 107.4 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.746 2.297 . . . . 0.0 112.293 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.432 ' HB3' HD21 ' A' ' 996' ' ' LEU . 35.2 Cg_exo -58.3 150.33 67.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.696 2.264 . . . . 0.0 112.517 -175.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' 1020 ' ' CYS . 11.5 mm -123.69 165.11 20.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.703 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.569 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 69.7 m -124.03 116.4 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.657 177.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . 0.739 HE21 ' HB3' ' A' ' 995' ' ' ARG . 29.8 pt20 -83.78 -17.08 42.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.299 -170.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 63.16 114.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.975 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 59.9 mt -115.22 126.66 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.037 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.574 2.183 . . . . 0.0 112.347 179.528 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.931 0.395 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 92.0 m -61.32 164.95 4.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.956 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 964' ' ' LYS . 13.6 mptt -72.64 -168.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.419 172.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . 0.522 HG22 HD13 ' A' ' 980' ' ' ILE . 43.0 p -114.54 133.82 22.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.106 178.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.8 147.78 94.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.741 2.294 . . . . 0.0 112.215 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.23 137.31 47.23 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.646 2.23 . . . . 0.0 112.143 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.96 113.77 7.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.43 144.3 84.08 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.632 2.221 . . . . 0.0 112.241 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.424 HG22 ' OD1' ' A' ' 971' ' ' ASN . 8.0 p -63.21 136.15 26.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 178.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.424 ' OD1' HG22 ' A' ' 970' ' ' VAL . 2.6 m-20 53.55 22.44 2.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.6 -162.78 10.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.549 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -165.78 148.46 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.848 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.4 142.57 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -107.4 112.32 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.139 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 27.0 t -83.83 94.28 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.565 172.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 987' ' ' THR . 61.8 mt -60.25 -70.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.534 -173.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 979' ' ' ASP . 0.1 OUTLIER -112.65 -91.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.441 -176.509 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . 0.684 ' H ' HG23 ' A' ' 978' ' ' THR . 11.1 m-20 -122.36 -179.39 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.833 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.522 HD13 HG22 ' A' ' 965' ' ' THR . 28.0 mt -120.29 65.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -120.51 178.86 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.809 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.27 136.35 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.042 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 95.76 -27.74 15.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.608 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 41.2 t -67.93 157.33 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.464 ' O ' HD12 ' A' ' 977' ' ' ILE . 61.2 ttp180 -139.24 111.11 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.003 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 43.8 pt -92.1 172.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . 0.5 HG23 HD11 ' A' ' 977' ' ' ILE . 66.6 p -128.58 142.9 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.25 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -99.75 170.01 8.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 94.8 p -161.54 164.57 29.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 15.8 t -149.99 172.03 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 1.8 t -54.78 140.52 35.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 3.7 t -55.84 125.63 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.33 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 120.4 -62.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.419 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.551 ' HA ' HG12 ' A' 1023 ' ' ILE . 0.5 OUTLIER -56.85 136.8 55.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 110.973 -177.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.719 ' HG2' HD11 ' A' 1023 ' ' ILE . 28.8 mmm180 -84.1 138.1 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.958 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' 1018 ' ' PRO . 1.9 tm? -78.09 121.47 24.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.61 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' 1021 ' ' GLN . 34.6 mm -88.74 81.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 164.92 -114.09 0.58 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.431 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -150.17 9.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.805 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 94.7 p 48.7 29.18 2.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.294 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 47.9 t -164.78 161.6 20.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.776 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -156.68 159.09 38.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -135.25 129.63 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 53.0 t -69.27 104.1 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 39.5 pt -134.21 151.86 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.249 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 56.6 mt -88.44 99.83 12.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 56.0 m -104.17 14.17 30.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -178.51 -132.14 1.68 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -91.79 -7.51 49.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.377 . . . . 0.0 110.87 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 46.3 m -140.86 140.83 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.055 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.74 115.42 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -129.29 172.84 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.776 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 69.4 m95 -82.72 143.65 30.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.802 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.8 t -55.58 -68.98 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 67.7 p -63.69 139.65 58.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.44 -175.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.539 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -63.67 156.34 72.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.728 176.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -48.21 108.24 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.546 ' HB3' HD11 ' A' ' 996' ' ' LEU . 33.8 Cg_exo -58.45 151.1 63.81 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.673 2.248 . . . . 0.0 112.434 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' 1020 ' ' CYS . 12.9 mm -121.58 164.24 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.645 177.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.478 ' N ' HG22 ' A' 1019 ' ' ILE . 84.7 m -109.2 92.65 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.037 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . 0.606 ' HB2' HD11 ' A' ' 997' ' ' ILE . 57.9 tp60 -66.58 99.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -56.89 139.92 50.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . 0.719 HD11 ' HG2' ' A' ' 995' ' ' ARG . 29.9 mm -108.08 -51.6 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.618 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . 0.67 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 38.2 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 122.244 1.963 . . . . 0.0 112.266 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.515 0.198 . . . . 0.0 111.405 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 980' ' ' ILE . 72.8 m -91.69 130.33 37.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.057 0.456 . . . . 0.0 111.265 -173.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -158.02 71.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.184 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . 0.672 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 99.3 m -122.04 -56.77 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.263 -166.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.672 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 77.5 Cg_exo -51.98 106.96 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.722 2.282 . . . . 0.0 112.925 -167.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -84.83 -162.6 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.782 2.321 . . . . 0.0 112.133 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.06 113.74 38.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.719 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.1 152.78 76.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.514 2.143 . . . . 0.0 112.327 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.4 129.63 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 46.15 66.52 0.93 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 162.28 -160.57 32.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.563 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . 0.404 ' HG3' ' NE2' ' A' ' 975' ' ' HIS . 22.7 ptp -153.67 141.14 19.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.4 p -82.74 140.84 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . 0.404 ' NE2' ' HG3' ' A' ' 973' ' ' MET . 77.6 m-70 -117.67 103.8 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -175.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 976' ' ' VAL . 4.3 p -80.95 110.87 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 173.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.769 HD11 HG23 ' A' ' 987' ' ' THR . 66.1 mt -59.27 -39.37 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.512 -172.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . 0.524 HG22 ' OD2' ' A' ' 979' ' ' ASP . 26.1 m -157.0 -50.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.167 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . 0.524 ' OD2' HG22 ' A' ' 978' ' ' THR . 12.5 m-20 -146.3 -167.63 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.541 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 963' ' ' CYS . 3.1 pt -147.36 34.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.9 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -95.1 -178.24 4.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.909 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.44 137.58 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 83.26 -13.13 47.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.522 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 55.5 m -90.4 150.06 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 0.0 110.943 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.628 ' HD3' ' HB2' ' A' 1001 ' ' SER . 38.7 ttm180 -130.22 132.9 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 21.7 pt -104.17 -177.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . 0.769 HG23 HD11 ' A' ' 977' ' ' ILE . 57.0 p -138.36 137.68 37.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.446 ' CD1' ' HG3' ' A' 1018 ' ' PRO . 82.2 m-85 -103.9 150.57 24.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.881 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 58.2 m -155.26 137.18 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.985 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 97.3 m -73.87 -177.89 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 6.8 t -76.41 -12.14 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 91.4 m -136.03 -40.7 0.67 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.051 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 136.88 28.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.385 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.618 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 88.3 m-70 -64.89 163.89 13.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' 1021 ' ' GLN . 78.6 ttt180 -62.33 134.16 56.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' 1018 ' ' PRO . 1.1 tm? -86.82 117.17 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.452 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' 1021 ' ' GLN . 34.2 mm -79.55 76.58 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.078 0.466 . . . . 0.0 110.733 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 151.17 -111.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.463 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -148.07 129.45 14.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 49.9 m -83.96 30.39 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.323 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . 0.628 ' HB2' ' HD3' ' A' ' 985' ' ' ARG . 78.0 p -167.02 125.3 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.828 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -113.16 158.97 19.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.223 -176.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -127.1 124.93 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.5 t -67.83 102.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.784 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.34 168.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.451 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 47.0 mt -124.08 133.98 53.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.912 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 79.3 p -150.11 -49.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -94.29 -129.83 5.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -99.15 -10.66 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 8.7 t -143.36 137.17 28.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.186 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -64.89 125.17 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 17.7 p80 -131.94 144.61 50.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.828 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 68.6 m95 -67.84 145.42 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -176.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 81.0 p -83.51 30.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.248 -175.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' 1002 ' ' ALA . 81.7 p -135.58 127.64 29.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.227 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.586 ' HB2' ' NZ ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -63.05 161.22 32.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 175.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 8.0 Cg_endo -49.89 115.56 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.622 2.215 . . . . 0.0 112.144 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.446 ' HG3' ' CD1' ' A' ' 988' ' ' TYR . 32.7 Cg_endo -64.4 144.23 84.97 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.626 2.217 . . . . 0.0 112.388 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' 1020 ' ' CYS . 10.4 mt -131.44 164.02 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 994' ' ' HIS . 61.3 m -116.35 113.27 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . 0.609 ' HB2' HD11 ' A' ' 997' ' ' ILE . 28.9 tt0 -72.59 -14.06 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -175.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.618 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 40.3 ttm180 64.06 113.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.017 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 66.6 mt -103.63 128.19 27.9 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.993 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.447 2.098 . . . . 0.0 112.25 179.472 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 47.9 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.809 0.338 . . . . 0.0 111.012 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . 0.53 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 92.1 m -68.48 157.27 36.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -81.66 119.15 23.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 76.2 p -54.32 134.31 61.22 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.277 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.76 125.72 10.76 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.566 2.177 . . . . 0.0 112.374 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.82 146.84 43.83 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.559 2.172 . . . . 0.0 112.193 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.06 120.4 42.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.987 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . 0.402 ' HG3' ' CE2' ' A' ' 988' ' ' TYR . 62.6 Cg_endo -72.96 175.49 10.35 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.612 2.208 . . . . 0.0 112.341 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.6 128.07 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 991' ' ' THR . 80.4 m-20 55.87 22.01 5.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.04 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -139.12 178.44 19.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.599 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.6 ptp -152.15 172.72 15.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.79 146.01 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.036 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -128.27 145.98 50.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 38.5 t -97.49 112.56 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.921 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.503 HG12 ' HA ' ' A' ' 986' ' ' ILE . 48.9 mm -73.24 -45.69 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.317 -174.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . 0.566 HG22 ' OD2' ' A' ' 979' ' ' ASP . 28.1 m -135.3 -70.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.128 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . 0.566 ' OD2' HG22 ' A' ' 978' ' ' THR . 11.7 m-20 -141.06 -176.6 4.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.619 HG23 ' HZ2' ' A' 1013 ' ' TRP . 29.4 mt -110.41 -10.03 11.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . 0.52 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 28.4 pt20 -68.92 174.73 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.72 141.66 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.066 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 95.29 -12.98 67.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.291 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 56.4 m -93.18 136.34 33.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.717 0.294 . . . . 0.0 110.842 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -117.49 114.15 23.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.02 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.503 ' HA ' HG12 ' A' ' 977' ' ' ILE . 39.8 pt -95.55 174.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 175.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 988' ' ' TYR . 4.8 m -113.7 162.75 15.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.917 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.441 ' N ' HG22 ' A' ' 987' ' ' THR . 1.0 OUTLIER -149.75 124.53 9.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.669 -175.25 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 32.2 t -149.84 174.87 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.173 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 7.0 t -119.95 -170.11 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.34 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 971' ' ' ASN . 0.6 OUTLIER -59.12 -179.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 111.564 179.152 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 69.5 m -55.58 -68.03 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.362 -174.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . -84.35 42.92 3.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.599 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.505 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 71.7 m80 -143.16 116.43 9.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -86.55 139.08 31.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' 1000 ' ' SER . 1.7 tm? -69.78 108.05 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.428 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' 1019 ' ' ILE . 34.4 mm -75.77 74.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.034 0.445 . . . . 0.0 110.747 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 178.61 -125.06 0.96 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.624 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -104.82 -13.85 15.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.701 0.286 . . . . 0.0 111.094 -175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . 0.454 ' H ' HD12 ' A' ' 996' ' ' LEU . 55.1 m 59.38 18.49 6.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.012 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 39.5 t -173.56 158.67 3.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.595 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -131.39 163.62 27.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.174 -177.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -149.01 118.17 6.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.2 t -62.24 100.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 43.0 pt -123.23 152.24 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.449 -174.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 60.5 mt -105.18 124.49 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.859 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.1 p -139.23 37.81 2.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 169.51 -85.51 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.502 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . 0.414 ' H ' ' H ' ' A' 1010 ' ' THR . 26.7 t-20 -157.61 -8.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . 0.414 ' H ' ' H ' ' A' 1009 ' ' ASN . 66.4 m -126.61 111.01 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.53 ' HB1' ' SG ' ' A' ' 963' ' ' CYS . . . -59.57 129.47 42.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.324 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 20.0 p80 -150.35 168.68 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.619 ' HZ2' HG23 ' A' ' 980' ' ' ILE . 75.4 m95 -85.54 148.78 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.809 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 79.9 p -79.43 5.65 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 -174.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 44.2 p -86.42 137.94 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 111.408 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.794 ' HD3' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -97.79 166.01 14.37 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.369 173.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 78.1 Cg_exo -39.78 102.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.711 2.274 . . . . 0.0 112.422 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.429 ' HG3' ' CE2' ' A' ' 988' ' ' TYR . 62.7 Cg_endo -74.03 154.53 47.55 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.641 2.228 . . . . 0.0 112.626 -171.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' ' 997' ' ' ILE . 9.7 mt -124.36 164.98 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.728 176.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 75.4 m -128.79 126.22 39.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.806 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . 0.426 ' HB3' HD11 ' A' ' 997' ' ' ILE . 9.7 tt0 -126.5 130.39 50.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 -177.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.447 ' HG2' ' HD2' ' A' 1024 ' ' PRO . 79.7 ttt180 -58.67 118.73 5.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.778 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . 0.65 ' HB ' ' HD3' ' A' 1024 ' ' PRO . 58.4 mt -66.64 -49.93 48.22 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.644 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . 0.65 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 49.9 Cg_exo . . . . . 0 C--O 1.249 1.028 0 C-N-CA 122.227 1.951 . . . . 0.0 112.346 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 980' ' ' ILE . 47.4 t . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.852 0.358 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 55.3 m -67.74 142.97 56.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -59.83 112.75 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.781 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 72.1 p -57.34 134.86 81.45 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.74 150.63 68.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.557 2.171 . . . . 0.0 112.226 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . 0.446 ' HD2' ' HG3' ' A' 1017 ' ' PRO . 26.6 Cg_endo -61.87 146.15 96.63 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.61 2.206 . . . . 0.0 112.138 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -56.19 120.38 34.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.031 -177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.91 142.42 62.44 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.547 2.165 . . . . 0.0 112.359 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.661 HG22 HD22 ' A' ' 971' ' ' ASN . 14.8 p -62.12 131.51 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.781 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.661 HD22 HG22 ' A' ' 970' ' ' VAL . 46.7 m-80 50.23 74.43 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -173.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' A' ' 990' ' ' CYS . . . 152.24 -173.02 31.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.591 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -161.42 137.67 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.54 135.77 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . 0.439 ' O ' ' HB ' ' A' ' 986' ' ' ILE . 10.0 t-80 -106.89 135.0 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 -175.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.12 89.68 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 985' ' ' ARG . 58.4 mt -60.65 -66.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.329 -176.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 63.2 m -96.9 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.08 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . 0.43 ' HB3' ' HG2' ' A' ' 981' ' ' GLN . 17.0 t70 -165.46 170.32 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.508 HG23 ' HZ2' ' A' 1013 ' ' TRP . 9.1 mt -96.07 26.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.09 0.471 . . . . 0.0 110.71 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . 0.43 ' HG2' ' HB3' ' A' ' 979' ' ' ASP . 3.6 pt20 -103.03 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.811 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' 1006 ' ' LEU . 42.9 t -75.64 141.3 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.078 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 98.29 -6.67 61.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.384 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 96.5 p -94.26 170.73 9.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 977' ' ' ILE . 79.9 ttt180 -149.8 96.23 2.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.439 ' HB ' ' O ' ' A' ' 975' ' ' HIS . 39.2 pt -84.7 171.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 69.3 p -134.7 136.31 42.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.236 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.402 ' HE2' ' HB2' ' A' 1002 ' ' ALA . 89.9 m-85 -90.25 138.87 31.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 55.3 m -141.74 127.67 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . 0.492 ' HA ' ' HA3' ' A' ' 972' ' ' GLY . 84.2 m -76.44 -176.72 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 971' ' ' ASN . 6.7 t -63.13 -32.63 74.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.0 111.209 -176.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 87.8 m -134.44 -50.83 0.8 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.076 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 162.83 32.99 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.416 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.58 ' HB2' ' HB3' ' A' 1020 ' ' CYS . 23.6 m-70 -58.94 144.68 44.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.827 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -64.11 108.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.684 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' 1019 ' ' ILE . 15.1 tp -64.21 155.39 31.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 72.9 mt -109.01 122.19 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.692 170.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 104.82 -111.34 3.75 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.433 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -141.46 129.19 21.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.72 0.295 . . . . 0.0 111.133 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 35.7 t -76.56 44.29 0.35 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 47.5 t -166.91 162.3 15.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.645 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -157.0 156.81 33.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.25 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -135.6 132.58 37.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.745 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 52.5 t -77.99 94.43 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.013 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 31.6 pt -123.65 136.9 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.616 ' HA ' ' HA ' ' A' 1011 ' ' ALA . 4.9 mp -77.99 -15.71 58.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.935 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 98.0 p 50.68 22.43 1.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.454 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 138.58 -69.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -156.43 13.53 0.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.773 0.32 . . . . 0.0 110.912 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 2.5 t -130.78 105.98 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.236 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.616 ' HA ' ' HA ' ' A' 1006 ' ' LEU . . . -69.25 113.77 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.8 p80 -149.47 178.86 8.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.675 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.508 ' HZ2' HG23 ' A' ' 980' ' ' ILE . 83.9 m95 -95.2 141.86 28.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.892 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 46.3 t -68.35 -4.1 13.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.333 -172.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 82.6 p -127.22 123.39 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.273 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.592 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -59.19 153.97 43.59 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.877 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . 0.446 ' HG3' ' HD2' ' A' ' 967' ' ' PRO . 73.4 Cg_exo -49.65 108.05 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.724 2.283 . . . . 0.0 112.398 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.478 ' HB2' HD11 ' A' ' 996' ' ' LEU . 73.9 Cg_endo -75.59 167.24 26.89 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.6 2.2 . . . . 0.0 112.475 -176.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 996' ' ' LEU . 12.8 mm -124.71 162.54 26.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 994' ' ' HIS . 99.7 m -109.8 120.48 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -108.11 110.03 21.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.761 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.535 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 33.6 ttm180 -57.32 132.47 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -178.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 63.8 mt -79.34 127.45 78.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.037 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo . . . . . 0 C--O 1.249 1.031 0 C-N-CA 122.629 2.219 . . . . 0.0 112.264 179.79 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 90.6 p . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.923 0.392 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 61.4 m -78.4 137.52 38.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.008 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -64.53 101.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 64.0 p -57.54 136.02 82.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.506 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 69.5 Cg_endo -74.03 150.31 43.04 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.658 2.238 . . . . 0.0 112.243 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.09 129.65 23.58 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.564 2.176 . . . . 0.0 112.207 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . 0.489 ' HB2' ' HA ' ' A' ' 973' ' ' MET . 4.5 p-10 -58.42 127.13 80.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 -178.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . 0.405 ' HB3' ' HB2' ' A' 1020 ' ' CYS . 51.5 Cg_exo -54.64 144.44 64.3 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.632 2.222 . . . . 0.0 112.238 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.659 HG13 HD22 ' A' ' 971' ' ' ASN . 14.2 p -59.3 145.19 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.659 HD22 HG13 ' A' ' 970' ' ' VAL . 44.5 m-80 73.29 -29.46 0.2 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.514 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 970' ' ' VAL . . . -123.76 -149.36 7.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.529 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . 0.489 ' HA ' ' HB2' ' A' ' 968' ' ' ASP . 0.0 OUTLIER -165.35 -175.9 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 988' ' ' TYR . 8.6 m -90.3 -174.54 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.298 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -149.67 88.16 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.51 100.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.792 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.618 HD11 HG23 ' A' ' 987' ' ' THR . 66.4 mt -60.09 -37.77 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.37 -176.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 62.0 m -152.07 -59.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.194 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -145.54 -168.34 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.666 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 2.6 pt -147.01 36.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.042 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -92.59 -171.42 2.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.776 177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.79 131.55 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.016 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.97 -9.48 75.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.43 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 84.1 p -73.55 168.78 18.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.472 ' O ' HD12 ' A' ' 977' ' ' ILE . 80.2 ttt180 -153.06 86.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 46.0 pt -76.67 -178.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . 0.618 HG23 HD11 ' A' ' 977' ' ' ILE . 63.8 p -141.51 150.95 42.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 111.187 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.464 ' CD1' HG12 ' A' ' 974' ' ' VAL . 76.3 m-85 -97.79 131.53 44.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.761 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 47.0 t -95.8 -43.99 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.403 -172.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 1.3 m 57.61 -175.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.085 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 2.6 p -69.44 -95.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.414 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 96.1 m -138.65 -73.13 0.4 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.207 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . -100.66 51.88 0.97 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.58 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -126.17 137.0 53.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -96.29 144.11 26.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.799 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.458 HD22 ' H ' ' A' ' 999' ' ' HIS . 8.5 tt -89.49 127.08 35.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.704 HD13 ' HB ' ' A' 1019 ' ' ILE . 4.1 mp -74.14 81.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 175.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 167.37 -94.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -174.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . 0.458 ' H ' HD22 ' A' ' 996' ' ' LEU . 80.2 t60 -145.42 -85.68 0.12 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.648 0.261 . . . . 0.0 111.023 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 48.1 t -179.95 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.87 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . 0.435 ' H ' ' HD2' ' A' ' 999' ' ' HIS . 80.0 p -137.25 -175.64 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -177.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -141.96 136.14 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.258 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -122.58 121.74 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.668 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . 0.52 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 45.2 t -76.14 102.64 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.026 -175.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 44.3 pt -124.63 143.48 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.208 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 65.9 mt -73.08 99.13 2.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 54.9 m -92.41 27.89 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.963 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 164.47 -91.36 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -138.5 10.17 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 48.0 m -145.12 138.77 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.52 ' HB1' ' SG ' ' A' 1004 ' ' CYS . . . -72.25 114.15 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.243 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.82 172.4 12.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.734 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.562 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 85.9 m95 -93.0 143.09 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 50.7 m -64.52 -16.87 63.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 7.3 t -105.07 137.14 43.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.912 0.387 . . . . 0.0 111.29 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.558 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -60.58 164.03 7.96 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.775 176.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . 0.521 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 81.1 Cg_exo -40.83 121.02 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.69 2.26 . . . . 0.0 112.479 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.413 ' HG3' ' CE1' ' A' ' 988' ' ' TYR . 74.5 Cg_endo -75.48 142.57 26.59 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.64 2.227 . . . . 0.0 112.699 -171.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.704 ' HB ' HD13 ' A' ' 997' ' ' ILE . 12.0 mt -126.96 163.11 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.513 173.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.46 ' N ' HG22 ' A' 1019 ' ' ILE . 5.7 t -133.76 100.15 4.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . 0.427 ' HB2' HD11 ' A' ' 997' ' ' ILE . 36.0 tt0 -109.45 134.86 51.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.99 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.596 ' HD3' ' H ' ' A' 1022 ' ' ARG . 0.0 OUTLIER -63.19 143.09 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.88 178.179 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . 0.555 ' N ' ' HD2' ' A' 1024 ' ' PRO . 66.0 mt -85.55 -50.41 0.53 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.534 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' 1023 ' ' ILE . 49.9 Cg_endo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.194 1.929 . . . . 0.0 112.339 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 78.8 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 98.5 m -99.35 143.53 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.754 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -85.64 20.15 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.319 -172.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . 0.684 HG22 HG21 ' A' ' 980' ' ' ILE . 12.0 p 61.95 137.79 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.65 176.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.426 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 72.7 Cg_endo -76.03 139.41 21.67 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.619 2.212 . . . . 0.0 112.293 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.23 138.2 46.2 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.52 2.147 . . . . 0.0 112.18 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -59.06 114.53 9.32 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.39 163.92 32.71 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.529 2.152 . . . . 0.0 112.206 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.42 134.47 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.113 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.403 ' HB3' ' CG2' ' A' ' 991' ' ' THR . 81.0 m-20 57.31 16.74 3.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -128.13 160.89 22.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.694 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -150.99 101.11 2.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 0.0 110.876 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.55 164.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.285 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -115.45 94.59 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.998 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.92 111.28 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.818 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.14 -63.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.21 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 55.9 m -156.42 -31.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.005 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -144.2 -170.54 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.515 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.684 HG21 HG22 ' A' ' 965' ' ' THR . 1.5 pp -143.6 29.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.108 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -108.53 -172.21 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.662 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' 1004 ' ' CYS . 79.6 t -64.41 133.03 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.044 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 106.09 -16.04 42.96 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.276 -176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 84.0 p -100.72 131.75 46.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.728 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -119.89 93.86 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 44.5 pt -89.56 171.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 66.1 p -141.48 150.19 41.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.407 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.41 127.17 34.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.601 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 990' ' ' CYS . 47.1 t -81.44 -62.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.46 -172.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 989' ' ' SER . 15.3 m 61.24 125.21 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 -169.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.459 HG23 ' ND1' ' A' ' 994' ' ' HIS . 3.5 t -56.47 147.34 22.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.312 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 72.5 m -54.36 130.21 38.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.227 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 105.63 7.03 37.41 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.325 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.594 ' NE2' ' HG2' ' A' 1022 ' ' ARG . 42.6 m80 -132.85 147.58 52.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 110.915 -178.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -102.82 167.8 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' 1018 ' ' PRO . 3.9 mm? -96.9 124.24 40.82 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.198 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.787 HD11 ' HB2' ' A' 1021 ' ' GLN . 18.8 mm -87.23 45.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.182 0.515 . . . . 0.0 110.32 169.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . 0.445 ' HA3' ' HB3' ' A' 1018 ' ' PRO . . . -159.14 -95.17 0.1 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.585 -175.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -162.56 -11.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 111.095 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . 0.592 ' HB2' ' HG ' ' A' ' 996' ' ' LEU . 35.3 t 62.86 14.1 7.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.938 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 66.3 m -158.56 145.79 17.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -143.04 165.43 27.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -139.9 129.56 24.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . 0.417 ' O ' HG22 ' A' ' 982' ' ' VAL . 43.2 t -72.75 104.39 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -178.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.3 pt -130.47 145.43 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.67 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.7 mp -81.91 137.55 35.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 58.3 m -114.22 31.3 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 121.65 -95.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.531 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.0 m120 -109.81 9.43 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 110.91 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 61.1 m -149.65 122.06 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.67 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -96.38 125.1 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.3 p80 -142.35 178.01 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.498 ' HE1' ' HA ' ' A' ' 965' ' ' THR . 84.8 m95 -85.24 139.48 31.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.99 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 50.1 m -55.55 -74.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 -172.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 79.9 p -65.02 138.07 58.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.372 -174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 154.01 76.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.602 175.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.95 103.4 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.587 2.191 . . . . 0.0 112.047 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.611 ' HB2' HD12 ' A' ' 996' ' ' LEU . 2.8 Cg_exo -76.43 153.22 34.97 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.914 2.409 . . . . 0.0 112.329 -172.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' 1020 ' ' CYS . 9.4 mt -93.02 162.57 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.68 175.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.443 ' N ' HG22 ' A' 1019 ' ' ILE . 55.6 m -101.81 96.52 7.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.812 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . 0.787 ' HB2' HD11 ' A' ' 997' ' ' ILE . 57.9 tp60 -62.15 124.19 20.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.059 -176.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.594 ' HG2' ' NE2' ' A' ' 994' ' ' HIS . 1.0 OUTLIER -88.56 82.8 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.639 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 35.6 pt -62.62 143.51 96.43 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.312 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.578 2.186 . . . . 0.0 112.246 -179.702 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.755 0.312 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 84.3 m -92.26 135.4 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -141.24 105.67 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . 0.765 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 89.6 m -161.84 -53.78 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.85 -175.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.765 ' HD2' ' H ' ' A' ' 965' ' ' THR . 10.9 Cg_endo -54.56 108.34 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.831 2.354 . . . . 0.0 112.609 -174.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.09 -167.41 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.029 2.486 . . . . 0.0 112.041 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -95.03 105.98 22.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.73 134.62 41.47 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.5 2.133 . . . . 0.0 112.418 -176.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.51 141.86 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.967 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 53.38 59.24 4.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.827 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 163.07 -154.74 25.81 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.443 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -166.39 137.32 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.963 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.08 145.04 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.985 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . 0.408 ' CD2' HD13 ' A' ' 977' ' ' ILE . 31.6 t60 -67.36 -60.48 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.94 -175.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 72.7 t 56.97 101.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.245 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.43 ' H ' HG22 ' A' ' 986' ' ' ILE . 50.1 mm -56.86 -76.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.202 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 69.0 m -158.63 -66.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -105.35 -7.72 18.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 43.0 pt 36.41 46.98 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.872 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -91.21 -172.98 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.818 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.79 133.84 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . 0.427 ' H ' ' HB2' ' A' 1004 ' ' CYS . . . 96.34 -23.42 34.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.53 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 44.5 t -75.12 158.15 33.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -136.7 109.88 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.956 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' ' 977' ' ' ILE . 42.9 pt -96.8 171.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 68.6 p -133.89 128.77 35.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.234 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.406 ' OH ' ' HB3' ' A' ' 966' ' ' PRO . 72.4 m-85 -91.58 124.64 35.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.72 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 80.1 p -132.54 128.46 37.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.004 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 72.5 m -89.58 -173.9 4.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.804 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.405 HG23 ' ND1' ' A' ' 994' ' ' HIS . 5.1 t -79.35 156.46 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 3.3 t -57.02 120.55 8.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.293 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 110.25 15.81 11.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.538 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.405 ' ND1' HG23 ' A' ' 991' ' ' THR . 65.8 m80 -137.27 145.0 42.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.022 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.572 ' HB3' HE21 ' A' 1021 ' ' GLN . 78.6 ttt180 -106.37 153.47 22.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' 1018 ' ' PRO . 1.2 tm? -76.15 125.08 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -176.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.771 HD11 ' HB3' ' A' 1021 ' ' GLN . 37.9 mm -83.16 82.22 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.677 173.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . 0.574 ' HA2' ' NZ ' ' A' 1016 ' ' LYS . . . 153.93 -93.9 0.14 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.347 -174.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . 0.536 ' H ' HD12 ' A' ' 996' ' ' LEU . 36.7 t60 -144.64 -81.11 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.649 0.261 . . . . 0.0 110.714 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 91.0 p -176.14 -48.69 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.859 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 79.7 p -138.07 179.26 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.654 ' HB2' HG22 ' A' 1015 ' ' THR . . . -141.98 172.01 13.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -144.26 137.66 27.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.767 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . 0.427 ' HB2' ' H ' ' A' ' 983' ' ' GLY . 56.4 m -63.15 91.25 0.05 OUTLIER 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 18.3 pt -105.92 154.63 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.36 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 76.3 mt -104.79 126.95 52.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.887 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 51.5 m -107.37 -23.36 12.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -151.02 -81.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.424 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.63 14.69 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 51.0 m -148.15 134.3 19.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.047 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.44 115.08 14.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -126.17 143.53 51.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.63 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.539 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 71.7 m95 -67.76 146.83 53.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 68.6 p -60.01 -67.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.174 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' 1002 ' ' ALA . 9.1 t -69.79 152.77 44.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.371 -175.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.574 ' NZ ' ' HA2' ' A' ' 998' ' ' GLY . 0.0 OUTLIER -79.9 160.64 68.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.767 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -44.32 106.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.65 2.233 . . . . 0.0 112.424 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.537 ' HB3' HD11 ' A' ' 996' ' ' LEU . 57.4 Cg_endo -71.66 148.59 53.4 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.626 2.217 . . . . 0.0 112.66 -173.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.686 ' H ' ' HB ' ' A' ' 997' ' ' ILE . 13.4 mm -115.17 165.36 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.567 176.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' 1019 ' ' ILE . 58.5 m -111.28 107.41 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -178.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . 0.771 ' HB3' HD11 ' A' ' 997' ' ' ILE . 11.2 pt20 -92.78 146.29 23.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -81.51 107.22 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 61.4 mt -66.08 128.0 93.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 C--O 1.248 1.004 0 C-N-CA 122.552 2.168 . . . . 0.0 112.237 179.444 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 53.6 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.789 0.328 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . 0.412 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 71.1 m -89.42 161.36 16.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -151.08 41.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . 0.797 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 70.6 m -103.38 -51.79 0.13 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.292 -171.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.797 ' HD2' ' H ' ' A' ' 965' ' ' THR . 6.5 Cg_endo -49.54 105.46 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.967 2.445 . . . . 0.0 112.75 -168.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -85.27 -165.0 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.868 2.379 . . . . 0.0 112.175 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.81 110.39 63.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.774 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . 0.427 ' HG2' ' C ' ' A' ' 972' ' ' GLY . 33.5 Cg_endo -64.96 167.48 15.8 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.6 2.2 . . . . 0.0 112.394 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.12 128.95 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.768 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 57.86 12.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.085 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.427 ' C ' ' HG2' ' A' ' 969' ' ' PRO . . . -130.39 -165.0 11.47 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . 0.459 ' HG3' ' NE2' ' A' ' 975' ' ' HIS . 23.8 ptt? -163.42 135.16 4.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 110.829 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.4 145.93 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . 0.466 ' O ' ' HB ' ' A' ' 986' ' ' ILE . 77.9 m-70 -129.64 145.04 51.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . 0.402 ' HA ' HG22 ' A' ' 986' ' ' ILE . 6.7 p -109.15 119.63 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 177.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.741 HD11 HG23 ' A' ' 987' ' ' THR . 48.1 mt -75.91 -35.15 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.23 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 48.2 p -138.78 -68.01 0.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -150.86 -171.16 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 980' ' ' ILE . 28.2 mm -118.96 -7.52 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 4.0 pt20 -67.29 -173.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.981 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.6 133.57 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 89.78 8.9 66.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.709 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 91.5 p -98.17 146.8 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.801 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -121.68 130.91 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 975' ' ' HIS . 36.9 pt -128.44 169.6 19.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . 0.741 HG23 HD11 ' A' ' 977' ' ' ILE . 71.5 p -135.29 130.45 35.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.167 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -87.63 136.96 32.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.2 m -120.89 169.15 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 22.4 t -153.23 162.37 41.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.497 HG23 ' ND1' ' A' ' 994' ' ' HIS . 5.1 t -60.8 151.78 28.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.304 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 64.7 m -60.32 137.67 58.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 94.42 8.19 60.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.327 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 991' ' ' THR . 44.5 m80 -134.85 114.78 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.771 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.631 ' HB2' HD11 ' A' 1023 ' ' ILE . 9.8 mpt_? -90.36 136.82 32.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.052 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' 1018 ' ' PRO . 9.3 tt -75.5 126.6 31.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.837 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.2 79.38 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 173.29 -115.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.469 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -140.62 -0.2 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.871 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . 0.42 ' H ' HD22 ' A' ' 996' ' ' LEU . 97.3 p 49.09 27.44 1.73 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.453 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 46.6 t -162.96 161.74 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.678 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -164.78 172.85 12.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -145.61 136.11 24.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 5.3 m -68.13 88.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 30.0 pt -99.85 128.86 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.214 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 31.2 mt -86.15 117.8 25.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.04 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.412 ' HB2' ' NE2' ' A' 1012 ' ' HIS . 49.4 m -143.8 91.24 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 105.29 39.53 2.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.46 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.1 m120 57.64 24.88 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 110.997 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 7.2 t -142.51 131.71 23.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.412 ' HB1' ' SG ' ' A' ' 963' ' ' CYS . . . -85.9 114.3 22.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 178.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' 1007 ' ' SER . 19.0 p80 -140.45 141.95 35.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.754 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.678 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 65.7 m95 -69.71 147.57 50.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 76.8 p -61.36 -62.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 77.7 p -68.07 141.79 56.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.42 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.482 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.2 OUTLIER -64.44 158.51 65.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 176.357 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.2 Cg_endo -52.42 108.2 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.735 2.29 . . . . 0.0 112.265 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.639 ' HB3' HD21 ' A' ' 996' ' ' LEU . 36.6 Cg_exo -58.44 159.02 20.93 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.787 2.324 . . . . 0.0 112.506 -175.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' 1020 ' ' CYS . 10.9 mt -132.03 164.07 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.718 177.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.478 ' N ' HG22 ' A' 1019 ' ' ILE . 79.4 m -106.16 120.28 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.982 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -112.83 104.92 12.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.851 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -56.4 145.15 28.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . 0.631 HD11 ' HB2' ' A' ' 995' ' ' ARG . 24.8 mm -102.53 127.3 30.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.135 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 C--O 1.248 1.022 0 C-N-CA 122.561 2.174 . . . . 0.0 112.329 179.319 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.695 0.284 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 63.4 m -79.4 125.91 30.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.842 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -65.61 94.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 65.0 p -60.68 130.99 90.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.544 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 91.7 Cg_endo -79.67 142.33 16.04 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.669 2.246 . . . . 0.0 112.53 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.52 147.26 70.32 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.5 2.133 . . . . 0.0 111.935 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 969' ' ' PRO . 9.6 m-20 -51.77 106.47 0.66 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -175.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . 0.48 ' O ' HG12 ' A' ' 970' ' ' VAL . 13.5 Cg_exo -69.97 106.23 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.761 2.307 . . . . 0.0 112.095 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.795 HG22 ' H ' ' A' ' 971' ' ' ASN . 2.9 p 43.44 -164.2 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.454 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.795 ' H ' HG22 ' A' ' 970' ' ' VAL . 23.0 m-80 -47.82 -33.17 6.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.669 0.271 . . . . 0.0 111.145 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.683 ' HA2' ' HA ' ' A' ' 990' ' ' CYS . . . -61.27 121.58 26.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.534 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptm -92.1 136.17 33.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.944 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.65 141.16 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.981 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -104.12 89.39 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 7.7 p -74.65 122.55 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.914 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.471 HD11 ' O ' ' A' ' 985' ' ' ARG . 58.1 mt -58.64 -82.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.255 -175.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 47.8 m -161.47 -24.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.899 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . 0.534 ' HB3' HE22 ' A' ' 981' ' ' GLN . 10.6 m-20 -143.9 124.35 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 5.3 pt -103.97 49.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.449 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . 0.534 HE22 ' HB3' ' A' ' 979' ' ' ASP . 0.1 OUTLIER -91.31 166.71 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.763 173.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.58 134.85 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 101.29 -3.63 54.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.279 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 62.1 m -81.84 162.24 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.471 ' O ' HD11 ' A' ' 977' ' ' ILE . 40.3 ttm180 -142.16 87.85 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -178.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.417 HG22 HG13 ' A' ' 977' ' ' ILE . 44.4 pt -80.68 171.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 78.8 p -128.72 143.8 51.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.293 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.544 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 22.6 m-85 -109.84 139.87 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.796 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 33.4 t -147.85 174.94 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.052 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . 0.683 ' HA ' ' HA2' ' A' ' 972' ' ' GLY . 46.9 m -100.24 155.83 17.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.018 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 8.3 t -73.14 -4.03 30.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.353 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 80.3 m -128.41 -37.75 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 131.37 20.82 1.09 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.43 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.584 ' HB2' ' SG ' ' A' 1020 ' ' CYS . 42.9 m-70 -73.57 -173.43 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.858 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.595 ' HE ' ' H ' ' A' ' 996' ' ' LEU . 6.2 tpm_? -93.84 148.32 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -175.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.595 ' H ' ' HE ' ' A' ' 995' ' ' ARG . 1.3 tm? -95.53 114.58 26.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.465 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.646 ' HB ' ' HB ' ' A' 1019 ' ' ILE . 3.9 mp -82.39 87.25 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.578 177.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 149.26 -108.97 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.405 -176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . 0.49 ' NE2' ' HB3' ' A' 1001 ' ' SER . 19.2 t-160 -144.6 117.75 8.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 110.798 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 80.4 p -82.07 34.57 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . 0.49 ' HB3' ' NE2' ' A' ' 999' ' ' HIS . 43.7 t -157.28 158.64 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.713 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -137.48 164.36 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.483 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' 1005 ' ' ILE . 41.1 tt0 -153.43 104.64 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.54 175.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 43.2 t -57.24 98.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' 1003 ' ' GLU . 40.7 pt -123.04 139.51 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.302 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.624 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.2 mp -88.39 158.71 18.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 78.5 p -153.5 17.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 95.36 -24.17 30.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.532 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -110.61 62.15 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.851 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 30.3 m 63.69 133.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.413 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.624 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -61.73 115.23 3.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 16.4 p80 -127.53 155.24 44.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.464 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 55.4 m95 -70.69 142.82 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.711 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 78.9 p -74.79 4.11 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.344 -173.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . 0.48 HG21 ' CE1' ' A' ' 988' ' ' TYR . 41.4 p -59.9 137.11 58.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.968 0.413 . . . . 0.0 111.616 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' 1016 ' ' LYS . 0.5 OUTLIER -85.04 155.54 60.78 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.193 167.069 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -43.05 101.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.73 2.286 . . . . 0.0 112.67 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -81.89 146.19 14.54 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.74 2.293 . . . . 0.0 112.521 -175.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.646 ' HB ' ' HB ' ' A' ' 997' ' ' ILE . 13.8 mt -137.61 164.6 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 994' ' ' HIS . 46.7 t -124.16 117.8 25.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.757 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . 0.54 ' O ' ' HB3' ' A' ' 994' ' ' HIS . 25.3 tp60 -128.6 121.98 29.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.965 -175.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.583 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 36.0 ttm180 -56.59 116.54 3.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 12.7 pt -77.07 136.65 65.78 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.212 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.587 2.191 . . . . 0.0 112.272 179.638 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 51.0 m . . . . . 0 N--CA 1.461 0.12 0 CA-C-O 120.894 0.378 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 98.4 m -66.46 174.3 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.762 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -124.91 38.48 4.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.064 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . 0.606 HG22 HG21 ' A' ' 980' ' ' ILE . 19.1 p 61.16 135.88 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.875 174.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.449 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 93.1 Cg_endo -80.0 134.35 10.53 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.71 141.4 64.77 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.616 2.211 . . . . 0.0 112.201 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 969' ' ' PRO . 2.9 p30 -55.83 107.77 0.99 Allowed Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 -177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 968' ' ' ASP . 3.1 Cg_exo -81.55 121.45 3.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.047 2.498 . . . . 0.0 112.37 -176.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.824 HG22 ' H ' ' A' ' 971' ' ' ASN . 2.8 p 44.31 -164.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.695 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.824 ' H ' HG22 ' A' ' 970' ' ' VAL . 2.7 m-20 -48.11 -35.25 11.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.779 0.323 . . . . 0.0 111.225 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.656 ' H ' HG13 ' A' ' 970' ' ' VAL . . . -64.84 171.47 22.09 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.592 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 973' ' ' MET . 1.5 pmm? -143.68 143.92 31.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.0 p -88.19 134.88 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -94.79 118.01 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 83.9 t -90.88 114.59 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 175.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.566 HG22 HG23 ' A' ' 978' ' ' THR . 56.6 mt -61.23 -70.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.24 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . 0.566 HG23 HG22 ' A' ' 977' ' ' ILE . 41.2 p -143.1 -54.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -128.44 -164.59 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.606 HG21 HG22 ' A' ' 965' ' ' THR . 2.2 pt -150.35 34.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.096 -175.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . 0.555 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 75.6 mt-30 -96.53 -173.85 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.812 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.3 p -60.18 139.76 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.034 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 93.04 -14.82 64.33 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.54 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 54.9 m -80.04 134.2 36.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' 1002 ' ' ALA . 79.5 ttt180 -133.7 87.33 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.509 HG22 HG13 ' A' ' 977' ' ' ILE . 40.5 pt -82.74 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 177.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' 1001 ' ' SER . 68.0 p -128.15 142.89 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.36 -174.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.572 ' HE1' ' HB2' ' A' 1002 ' ' ALA . 87.3 m-85 -89.98 145.54 25.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.776 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 28.6 t -142.1 172.91 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.794 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 36.0 t -117.1 163.5 16.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 8.0 t -71.87 -6.8 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.462 -172.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 85.5 m -134.55 -33.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 126.16 13.37 3.26 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.263 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.679 ' HB3' ' H ' ' A' 1022 ' ' ARG . 73.8 m-70 -62.1 148.0 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -62.29 146.79 50.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 -175.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.493 HD23 ' H ' ' A' ' 999' ' ' HIS . 6.7 tp -87.82 121.19 29.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.842 HD13 ' HB ' ' A' 1019 ' ' ILE . 3.8 mp -75.22 80.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.061 0.458 . . . . 0.0 110.247 170.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 166.39 -104.45 0.22 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.425 -173.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . 0.493 ' H ' HD23 ' A' ' 996' ' ' LEU . 0.8 OUTLIER -134.7 -91.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.637 0.256 . . . . 0.0 111.129 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 47.8 t 177.35 -35.81 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -178.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . 0.502 ' HB2' HG22 ' A' ' 987' ' ' THR . 44.0 t -150.93 158.05 43.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -175.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -119.52 163.53 17.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.339 -176.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -135.55 124.11 23.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.704 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 40.8 t -61.18 106.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.5 pt -126.09 144.91 34.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' 1011 ' ' ALA . 70.5 mt -78.61 126.18 30.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 176.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 50.7 m -118.55 20.98 12.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 150.23 -111.51 0.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.432 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -96.61 -1.29 47.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 77.1 m -150.84 137.3 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.576 ' HB2' HD23 ' A' 1006 ' ' LEU . . . -80.55 126.08 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -118.96 168.45 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.792 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.658 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 84.7 m95 -87.22 139.89 30.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 80.5 p -87.81 44.42 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.32 -171.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 11.6 p -118.14 131.71 56.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.894 0.378 . . . . 0.0 111.567 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.44 ' HB3' ' HD2' ' A' 1017 ' ' PRO . 79.5 mttt -60.28 158.39 28.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.494 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' 1016 ' ' LYS . 7.6 Cg_endo -49.58 104.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.813 2.342 . . . . 0.0 112.318 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.49 ' HB2' HD11 ' A' ' 996' ' ' LEU . 78.9 Cg_endo -79.06 139.05 14.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.676 2.251 . . . . 0.0 112.488 -175.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.842 ' HB ' HD13 ' A' ' 997' ' ' ILE . 13.1 mt -141.51 166.88 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.748 -177.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.527 ' N ' HG22 ' A' 1019 ' ' ILE . 72.6 m -100.78 103.81 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.789 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . 0.521 ' HB2' HD11 ' A' ' 997' ' ' ILE . 53.6 tt0 -65.39 -20.04 66.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.059 -176.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.679 ' H ' ' HB3' ' A' ' 994' ' ' HIS . 55.5 ttp180 64.15 113.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.018 -177.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 68.9 mt -100.71 116.83 63.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.049 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.541 2.161 . . . . 0.0 112.232 179.742 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 79.7 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.73 0.3 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.88 146.48 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.076 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -140.0 99.47 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.515 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . 0.648 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 87.3 m -158.2 -55.89 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.992 -171.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 71.2 Cg_exo -50.36 104.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.878 2.386 . . . . 0.0 112.824 -168.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -88.7 -163.37 0.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.943 2.429 . . . . 0.0 112.205 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . 0.412 ' HA ' ' HD2' ' A' ' 969' ' ' PRO . 15.5 t70 -96.82 102.99 13.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 173.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 968' ' ' ASP . 18.1 Cg_endo -59.72 138.27 82.06 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.656 2.238 . . . . 0.0 112.271 -175.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.06 132.87 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.032 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.415 ' C ' HG23 ' A' ' 991' ' ' THR . 79.5 m-20 53.03 59.3 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 168.3 -156.12 27.36 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.3 ptm -164.07 142.34 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.954 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.2 p -88.02 146.3 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -110.34 102.65 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.151 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.0 110.58 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.713 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 986' ' ' ILE . 49.6 mm -60.23 -56.83 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.234 -177.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 45.4 m -157.09 -33.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -148.63 -168.65 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.596 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 2.6 pt -146.34 37.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -108.99 -175.99 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.78 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.96 137.43 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.027 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 88.95 -10.13 73.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 56.9 m -94.95 132.53 39.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.825 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' 1002 ' ' ALA . 56.9 ttp180 -121.46 105.77 10.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.435 ' HA ' HG12 ' A' ' 977' ' ' ILE . 48.9 pt -89.74 177.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 71.7 p -136.23 131.55 34.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.313 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.443 ' HE2' ' HB2' ' A' 1002 ' ' ALA . 89.1 m-85 -96.22 152.62 18.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.709 177.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 90.7 p -152.25 144.82 24.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 48.1 t -108.05 168.42 9.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.629 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 971' ' ' ASN . 11.2 p -58.86 158.4 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.36 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 62.7 m -62.14 135.55 57.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.095 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 96.99 6.87 57.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.334 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.478 ' NE2' ' HD3' ' A' 1022 ' ' ARG . 25.1 m80 -127.2 171.46 11.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 110.767 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -135.66 125.89 26.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.789 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' 1019 ' ' ILE . 36.4 tp -67.74 124.17 22.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' 1021 ' ' GLN . 4.0 mp -81.1 78.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -178.92 -126.22 0.99 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.23 3.62 3.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.747 0.308 . . . . 0.0 111.143 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . 0.501 ' HA ' HD23 ' A' ' 996' ' ' LEU . 34.3 t 58.67 20.8 8.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.009 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 68.1 m -157.85 -176.28 5.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.959 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 985' ' ' ARG . . . -170.21 149.16 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . 0.463 ' HG2' HG23 ' A' 1005 ' ' ILE . 40.7 tt0 -129.09 120.28 25.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.975 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 41.2 t -71.34 102.06 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . 0.463 HG23 ' HG2' ' A' 1003 ' ' GLU . 42.9 pt -127.62 153.86 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.417 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 39.9 mt -94.46 161.21 14.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 84.8 p -147.87 -27.42 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.982 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -154.06 -86.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.586 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -130.75 -9.64 3.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.816 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 63.4 m -132.29 115.68 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -65.37 130.66 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 16.6 p80 -139.71 145.51 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.737 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.598 ' HE1' ' HD3' ' A' ' 966' ' ' PRO . 69.6 m95 -67.94 142.63 55.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 46.8 t -73.22 -7.76 52.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.356 -172.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 80.8 p -106.78 150.77 25.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 111.271 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.459 ' HZ3' ' N ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -72.12 154.59 92.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.57 146.52 19.61 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.541 2.16 . . . . 0.0 112.306 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.35 138.31 29.9 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.523 ' O ' HD12 ' A' ' 996' ' ' LEU . 11.3 mt -136.89 164.1 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.691 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.489 ' N ' HG22 ' A' 1019 ' ' ILE . 83.9 m -124.92 125.34 43.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.729 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . 0.593 ' HB3' HD11 ' A' ' 997' ' ' ILE . 20.0 pt20 -90.74 -25.54 19.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.478 ' HD3' ' NE2' ' A' ' 994' ' ' HIS . 32.1 tpt180 55.51 87.63 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.876 -179.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 24.0 pt -69.34 144.77 95.12 Favored Pre-proline 0 N--CA 1.452 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.272 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.534 2.156 . . . . 0.0 112.295 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.961 0.41 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 74.6 m -59.12 160.56 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.026 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -90.93 110.0 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.685 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' ' 966' ' ' PRO . 82.8 p -52.57 135.07 44.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.208 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.553 ' HB2' ' HE2' ' A' ' 988' ' ' TYR . 22.8 Cg_exo -64.02 130.73 28.3 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.599 2.199 . . . . 0.0 112.197 -176.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.2 127.64 19.71 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.525 2.15 . . . . 0.0 112.139 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -74.42 112.25 16.41 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.033 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.23 -162.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.681 2.254 . . . . 0.0 112.178 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 10.3 p -52.98 129.25 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.444 ' HB3' ' OG1' ' A' ' 991' ' ' THR . 2.0 m-20 45.65 46.79 11.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.023 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -93.51 159.44 24.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 49.0 tpp -163.18 98.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.67 150.75 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -129.36 138.81 51.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.934 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . 0.61 ' HA ' HG22 ' A' ' 986' ' ' ILE . 7.1 p -91.66 127.65 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 177.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.487 HG12 ' HA ' ' A' ' 986' ' ' ILE . 46.6 mm -92.64 -39.34 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.26 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 49.3 p -138.62 -66.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.284 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -148.31 -168.89 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.757 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 980' ' ' ILE . 31.4 mm -124.27 -4.19 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.632 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.87 -171.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.849 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.43 138.53 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.085 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 85.19 7.22 83.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.436 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 88.7 p -85.76 144.7 27.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' 1002 ' ' ALA . 40.0 ttm180 -132.5 90.9 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 -178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.61 HG22 ' HA ' ' A' ' 976' ' ' VAL . 33.9 pt -82.13 178.27 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' 1001 ' ' SER . 74.1 p -135.43 128.88 32.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.28 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.553 ' HE2' ' HB2' ' A' ' 966' ' ' PRO . 0.2 OUTLIER -100.31 138.92 36.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.678 176.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.6 m -146.69 -11.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.417 -174.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 83.6 m 57.57 -167.14 0.13 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' A' ' 971' ' ' ASN . 7.3 p -66.0 161.77 20.78 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.29 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 80.7 m -71.12 108.52 4.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 119.5 7.26 9.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.485 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -124.82 134.51 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.53 ' HE ' ' H ' ' A' ' 996' ' ' LEU . 6.9 tpm_? -91.99 126.03 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -178.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.823 HD11 ' HB2' ' A' 1018 ' ' PRO . 8.5 tp -71.77 133.68 45.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.787 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.85 ' HB ' HD13 ' A' 1019 ' ' ILE . 22.9 mm -96.02 58.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.034 0.445 . . . . 0.0 110.725 176.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -151.96 -121.93 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.543 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -126.8 -0.17 6.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . 0.501 ' H ' HD23 ' A' ' 996' ' ' LEU . 33.7 t 58.34 30.56 19.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 987' ' ' THR . 30.4 t -174.29 -177.39 1.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.694 -176.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -166.42 167.37 15.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' 1013 ' ' TRP . 10.5 tp10 -148.19 134.0 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.983 -178.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 16.7 m -76.72 100.17 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.174 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 32.3 pt -112.09 169.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.429 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 69.2 mt -126.62 130.82 51.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.942 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 85.1 p -148.84 11.59 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -155.25 -92.88 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -145.7 -9.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 4.9 t -133.48 131.81 40.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.196 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -68.05 113.54 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.0 p80 -115.52 -177.36 3.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.642 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.509 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 82.2 m95 -97.65 136.7 37.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.4 t -71.6 -8.32 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.209 -173.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . 0.465 HG21 ' O ' ' A' 1001 ' ' SER . 70.0 p -100.56 132.76 45.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.239 -177.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' 1016 ' ' LYS . 0.1 OUTLIER -58.87 159.11 14.14 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.969 178.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.9 Cg_endo -51.29 113.08 0.96 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.777 2.318 . . . . 0.0 112.212 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.823 ' HB2' HD11 ' A' ' 996' ' ' LEU . 43.0 Cg_endo -67.96 160.93 46.33 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.636 2.224 . . . . 0.0 112.5 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.85 HD13 ' HB ' ' A' ' 997' ' ' ILE . 2.0 mp -129.91 162.61 37.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.747 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' 1019 ' ' ILE . 65.2 m -118.91 87.44 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.779 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -80.36 139.76 36.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.704 ' H ' ' HD2' ' A' 1022 ' ' ARG . 0.0 OUTLIER -101.14 81.31 2.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.745 175.264 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . 0.505 ' O ' HD12 ' A' 1023 ' ' ILE . 1.6 pp -57.02 152.6 27.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.375 -176.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.444 2.096 . . . . 0.0 112.334 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 48.1 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.006 0.431 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.11 167.86 21.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.142 -177.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.47 -167.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.49 172.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 69.8 p -127.11 129.94 23.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.132 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.457 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 57.2 Cg_endo -71.02 154.77 62.59 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.602 2.201 . . . . 0.0 112.34 -178.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.41 141.25 67.13 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.62 2.213 . . . . 0.0 112.229 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.09 116.02 14.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . 0.467 ' HG3' ' HG2' ' A' 1018 ' ' PRO . 33.2 Cg_exo -58.07 155.82 32.22 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.664 2.243 . . . . 0.0 112.243 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.88 128.94 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.496 ' O ' HG23 ' A' ' 991' ' ' THR . 72.0 m-20 52.87 31.79 11.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -178.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.91 166.88 28.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.61 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.1 ptm -143.22 129.76 20.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.7 p -82.14 142.96 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.011 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -102.2 86.13 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.67 122.96 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 175.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.64 HG12 HG22 ' A' ' 986' ' ' ILE . 48.2 mm -56.25 -81.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 -175.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 46.5 p -147.65 -57.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.042 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -132.25 -3.98 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.558 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 40.0 pt 39.9 49.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.744 173.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . 0.579 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 51.5 mt-30 -70.64 -169.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.724 176.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.48 130.69 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.038 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.17 -12.16 70.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 54.9 m -66.96 156.99 34.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' 1002 ' ' ALA . 40.2 ttm180 -139.6 115.58 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.64 HG22 HG12 ' A' ' 977' ' ' ILE . 38.5 pt -102.55 176.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 175.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 67.5 p -135.13 140.33 45.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.198 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.457 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 77.2 m-85 -102.49 146.15 28.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 54.0 m -154.14 135.79 14.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 111.203 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 14.9 t -88.02 175.32 7.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.376 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 971' ' ' ASN . 3.8 p -58.56 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.942 0.401 . . . . 0.0 111.416 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . 0.513 HG22 ' N ' ' A' ' 993' ' ' GLY . 5.8 m -77.89 168.93 19.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.625 177.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . 0.513 ' N ' HG22 ' A' ' 992' ' ' THR . . . -53.87 96.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.466 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.625 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 28.9 m-70 -133.72 160.62 37.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.852 -176.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.1 140.43 29.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' 1018 ' ' PRO . 20.7 tp -91.62 129.54 37.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.718 HD13 ' HB ' ' A' 1019 ' ' ILE . 4.0 mp -82.31 85.91 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.975 0.417 . . . . 0.0 110.686 175.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 146.48 -108.62 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.362 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -154.76 128.25 8.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.702 0.287 . . . . 0.0 110.739 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 79.2 p -79.86 41.63 0.51 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.279 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 85.0 p -175.42 151.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 985' ' ' ARG . . . -146.78 168.49 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -142.5 135.39 28.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.759 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 1.7 m -65.73 103.88 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 31.5 pt -121.41 125.85 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.184 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' 1006 ' ' LEU . 4.5 mp -83.25 130.75 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.877 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.0 p -100.13 16.75 23.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 140.19 -101.33 0.3 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 57.3 t30 -96.53 -4.52 41.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.783 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 6.9 t -128.78 155.09 45.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.48 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -124.89 133.32 53.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.2 p80 -145.77 -176.73 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.99 153.84 18.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 33.6 t -93.81 33.71 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 9.8 t -132.99 140.9 48.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.33 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.463 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.0 OUTLIER -74.96 159.63 82.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.73 176.212 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 7.2 Cg_endo -49.45 107.87 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.783 2.322 . . . . 0.0 112.186 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.749 ' HB2' HD11 ' A' ' 996' ' ' LEU . 58.5 Cg_endo -71.94 146.59 47.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.717 2.278 . . . . 0.0 112.55 -174.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.718 ' HB ' HD13 ' A' ' 997' ' ' ILE . 10.9 mt -132.02 164.57 34.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.642 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.486 ' N ' HG22 ' A' 1019 ' ' ILE . 48.6 t -105.35 122.25 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.746 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -46.56 16.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 -174.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.625 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 58.8 ttp180 65.12 112.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.179 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 3.4 pt -107.04 107.16 60.07 Favored Pre-proline 0 N--CA 1.451 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.189 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 122.541 2.16 . . . . 0.0 112.229 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 49.8 m . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 120.844 0.354 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 88.5 m -74.88 169.85 17.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.961 177.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 964' ' ' LYS . 0.3 OUTLIER -78.89 110.84 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 -179.521 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 61.1 p -59.41 135.79 88.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.13 112.76 1.32 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.64 2.227 . . . . 0.0 112.227 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.92 71.85 4.07 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.582 2.188 . . . . 0.0 112.391 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.4 t70 51.65 91.83 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.245 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.51 -154.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.838 2.359 . . . . 0.0 112.397 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.821 HG22 ' H ' ' A' ' 971' ' ' ASN . 3.1 p -55.56 -174.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.868 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.821 ' H ' HG22 ' A' ' 970' ' ' VAL . 22.2 m-80 -42.38 -32.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 111.357 -176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.633 ' H ' HG13 ' A' ' 970' ' ' VAL . . . -70.13 111.11 3.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.581 176.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.86 146.32 54.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.819 0.342 . . . . 0.0 110.972 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.26 149.68 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -126.02 150.96 47.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 95.1 t -111.26 115.81 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.814 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.639 HG22 HG23 ' A' ' 978' ' ' THR . 50.4 mm -65.31 -51.28 66.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.28 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . 0.639 HG23 HG22 ' A' ' 977' ' ' ILE . 54.1 p -140.49 -65.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.305 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -144.79 -173.34 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.475 HG23 ' HZ2' ' A' 1013 ' ' TRP . 27.6 mm -123.87 65.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.697 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -122.82 165.17 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.703 -177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . 0.429 ' HA ' ' HB3' ' A' 1004 ' ' CYS . 4.6 p -64.05 120.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.964 177.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 106.88 -11.4 41.35 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.465 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 52.4 m -93.5 142.92 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.757 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' 1002 ' ' ALA . 60.7 ttp180 -119.1 121.62 40.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.995 -177.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.504 ' HA ' HG12 ' A' ' 977' ' ' ILE . 42.2 pt -94.29 175.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 175.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 76.1 p -133.99 133.04 40.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.348 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -95.94 152.24 18.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.597 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.7 m -147.93 133.51 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.057 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 994' ' ' HIS . 95.3 m -84.73 172.21 11.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.021 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 22.8 p -62.16 -76.61 0.06 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.51 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 28.2 m -120.1 74.65 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 56.66 86.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.862 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.545 ' HB2' ' SG ' ' A' ' 990' ' ' CYS . 15.9 m-70 -127.6 136.03 51.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.728 0.299 . . . . 0.0 110.777 176.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -71.0 113.99 8.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.23 131.04 44.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.003 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.628 HD12 ' HB ' ' A' 1019 ' ' ILE . 1.7 mt -89.52 34.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.393 0.616 . . . . 0.0 110.553 177.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -160.7 -110.05 0.26 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.438 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . 0.509 ' HB2' HG21 ' A' 1015 ' ' THR . 1.5 t-80 -137.52 141.71 41.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 34.3 t -87.17 28.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.957 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 80.9 p -168.61 169.9 9.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.64 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -163.35 155.4 17.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.67 133.94 45.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.989 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 52.5 t -64.24 96.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.827 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 33.9 pt -99.73 -178.41 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.413 -176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 7.2 mt 54.03 -171.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.388 -175.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 58.4 m -172.87 -178.71 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.787 -170.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 63.34 -126.08 35.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.681 176.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -74.17 -6.28 46.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.916 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . 0.474 HG22 ' H ' ' A' 1011 ' ' ALA . 3.9 m -125.24 162.4 24.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.474 ' H ' HG22 ' A' 1010 ' ' THR . . . 173.5 118.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.69 -170.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 3.2 p80 -167.38 171.7 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.855 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.64 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 80.9 m95 -92.03 145.27 24.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.778 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 52.2 m -52.85 -70.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -173.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 999' ' ' HIS . 79.0 p -82.0 138.97 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -57.56 155.64 19.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.917 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.07 107.43 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.74 2.293 . . . . 0.0 112.47 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.69 156.64 26.56 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.65 2.234 . . . . 0.0 112.42 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 997' ' ' ILE . 10.4 mt -127.57 162.86 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.671 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.457 ' N ' HG22 ' A' 1019 ' ' ILE . 70.0 m -107.6 107.86 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -68.83 -24.08 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.988 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.543 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 57.3 ttp180 63.86 115.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . 0.662 ' HB ' ' HD3' ' A' 1024 ' ' PRO . 64.1 mt -95.18 -51.65 0.24 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.533 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . 0.662 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 48.9 Cg_exo . . . . . 0 C--O 1.248 1.024 0 C-N-CA 122.325 2.016 . . . . 0.0 112.315 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.755 0.312 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 1.7 p -81.58 152.98 26.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -166.33 78.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.365 -175.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . 0.813 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 91.0 m -112.67 -55.14 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.009 -170.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.813 ' HD2' ' H ' ' A' ' 965' ' ' THR . 22.2 Cg_endo -61.11 106.99 0.42 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.674 2.249 . . . . 0.0 112.533 -171.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 965' ' ' THR . 73.0 Cg_endo -89.82 55.7 1.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.944 2.43 . . . . 0.0 112.235 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 8.8 t70 55.34 94.82 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.41 144.46 18.11 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.815 2.343 . . . . 0.0 112.598 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.41 128.78 18.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.022 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 991' ' ' THR . 78.2 m-20 52.81 78.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.722 -176.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 140.41 -159.13 26.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.524 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.6 ptm -164.05 148.75 10.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 0.0 111.026 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.1 p -95.8 145.72 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.016 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -117.94 123.17 45.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.001 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.74 139.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 49.6 mm -57.61 -73.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.131 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 60.8 m -140.74 -41.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -139.18 176.35 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.651 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 30.6 mt -125.0 68.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.018 0.437 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -125.3 -177.76 3.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.762 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.1 p -58.72 140.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.088 178.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 90.71 -17.69 53.61 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 50.2 m -73.12 151.64 41.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.741 0.305 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 1002 ' ' ALA . 40.3 ttm180 -138.67 88.9 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 34.9 pt -77.57 171.36 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 73.4 p -132.4 140.24 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.323 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -101.94 143.33 31.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.687 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 51.6 m -119.6 -36.98 3.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.351 -174.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 42.7 t 62.24 163.92 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.547 HG23 ' ND1' ' A' ' 994' ' ' HIS . 4.4 t -58.12 144.32 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.054 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 5.7 t -56.11 137.46 51.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.274 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 89.51 15.21 58.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.391 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.547 ' ND1' HG23 ' A' ' 991' ' ' THR . 51.8 m80 -136.66 118.67 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 111.0 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -94.69 114.15 26.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.701 176.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 996' ' ' LEU . 3.0 pp -57.51 154.45 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -176.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 40.5 mm -127.95 90.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.054 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . 0.569 ' HA3' ' HD3' ' A' 1016 ' ' LYS . . . 137.88 -46.1 1.02 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.89 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . 0.492 ' CD2' ' HA ' ' A' 1018 ' ' PRO . 3.8 m-70 -68.6 -77.81 0.07 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -172.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . 0.43 ' H ' HD13 ' A' ' 996' ' ' LEU . 96.3 p 51.08 54.61 10.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.429 -174.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' 1000 ' ' SER . 43.7 t 67.52 158.34 0.14 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.987 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.487 ' HB2' HG23 ' A' 1015 ' ' THR . . . -142.24 -179.16 6.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.264 -175.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -139.96 122.4 16.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.741 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.6 t -60.26 99.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 40.3 pt -122.18 132.82 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.617 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.5 mp -84.07 143.47 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.2 p -140.3 23.07 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 162.17 -124.06 1.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 58.1 t30 -92.39 -5.25 52.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.786 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 58.2 m -142.02 141.84 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.617 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -87.88 131.52 34.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -124.47 159.39 30.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.488 ' CD1' ' HB ' ' A' ' 965' ' ' THR . 62.5 m95 -88.83 155.05 19.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.6 m -82.2 37.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.291 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' 1002 ' ' ALA . 43.2 p -138.81 128.79 25.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.917 0.389 . . . . 0.0 111.412 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.596 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.0 OUTLIER -61.38 165.73 6.47 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.733 175.8 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . 0.596 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 70.6 Cg_exo -38.97 134.96 0.89 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.774 2.316 . . . . 0.0 112.757 178.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.492 ' HA ' ' CD2' ' A' ' 999' ' ' HIS . 31.9 Cg_exo -59.88 142.06 97.84 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.776 2.317 . . . . 0.0 112.792 -171.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' 1020 ' ' CYS . 12.0 mt -135.8 163.71 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.571 173.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 94.6 m -146.45 133.54 20.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.951 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -113.03 121.8 45.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -60.6 127.41 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 63.6 mt -88.25 112.81 52.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.499 2.133 . . . . 0.0 112.318 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 80.0 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.694 0.283 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . 0.588 ' HB2' HG22 ' A' ' 980' ' ' ILE . 55.5 m -94.92 133.57 38.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.841 -178.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -84.1 99.54 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 965' ' ' THR . 0.0 OUTLIER -57.07 149.49 45.4 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.659 -176.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.613 ' HG2' HG11 ' A' ' 974' ' ' VAL . 72.5 Cg_endo -75.45 142.72 26.86 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.976 2.451 . . . . 0.0 112.363 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.93 145.22 35.63 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.583 2.189 . . . . 0.0 112.276 177.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.31 119.17 70.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . 0.521 ' HG3' ' HE1' ' A' ' 988' ' ' TYR . 71.6 Cg_endo -76.85 -166.25 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.597 2.198 . . . . 0.0 112.453 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 11.5 p -72.27 136.7 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 991' ' ' THR . 65.9 m-20 54.12 20.69 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.081 177.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 990' ' ' CYS . . . -135.72 158.44 23.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.749 -174.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.8 ptm -155.47 128.67 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.71 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . 0.613 HG11 ' HG2' ' A' ' 966' ' ' PRO . 9.9 m -71.76 175.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.373 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . 0.51 ' HB3' ' OG1' ' A' ' 987' ' ' THR . 29.1 t60 -147.68 92.77 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.816 -178.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . 0.59 ' HA ' HG22 ' A' ' 986' ' ' ILE . 7.7 m -72.05 135.29 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 50.7 mm -51.45 -71.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.069 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 59.4 m -146.49 -33.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.71 -179.54 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.689 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.588 HG22 ' HB2' ' A' ' 963' ' ' CYS . 26.6 mt -119.77 63.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.05 0.452 . . . . 0.0 110.787 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -117.82 151.3 37.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.853 -178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 6.0 p -59.14 128.05 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 116.56 -20.04 12.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.428 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 81.1 p -82.07 -179.46 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 0.0 110.807 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -147.93 86.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.992 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.59 HG22 ' HA ' ' A' ' 976' ' ' VAL . 44.6 pt -70.65 172.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 176.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . 0.51 ' OG1' ' HB3' ' A' ' 975' ' ' HIS . 82.4 p -123.72 172.23 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 111.273 -177.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.521 ' HE1' ' HG3' ' A' ' 969' ' ' PRO . 0.7 OUTLIER -140.11 92.99 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.644 -175.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 79.0 p -114.29 130.39 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.2 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . 0.429 ' HA ' ' HA2' ' A' ' 972' ' ' GLY . 77.1 m -88.51 -169.89 2.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.667 173.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.497 HG23 ' ND1' ' A' ' 994' ' ' HIS . 3.3 t -72.77 149.8 43.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 62.1 m -58.95 106.82 0.45 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . 125.51 6.65 6.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.438 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 991' ' ' THR . 32.4 m80 -133.75 108.24 8.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 110.813 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.553 ' NH1' HG13 ' A' ' 997' ' ' ILE . 0.0 OUTLIER -77.86 146.0 35.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.008 -178.253 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.761 HD13 ' HA ' ' A' 1000 ' ' SER . 2.3 mt -79.53 141.46 36.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.089 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.847 HD13 ' HB ' ' A' 1019 ' ' ILE . 3.6 mp -105.42 63.7 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.532 171.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -165.28 -118.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.677 -176.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -111.01 -20.34 12.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.727 0.299 . . . . 0.0 111.328 -173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . 0.761 ' HA ' HD13 ' A' ' 996' ' ' LEU . 34.9 t 59.69 19.24 7.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 35.5 t -173.33 178.39 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.435 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -157.04 151.68 25.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.882 0.372 . . . . 0.0 111.466 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -145.5 115.9 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 44.6 t -64.27 105.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -174.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 27.8 pt -100.39 -171.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.296 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.593 HD12 ' HD2' ' A' 1012 ' ' HIS . 30.5 mt 57.0 -173.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.108 -176.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 74.9 m -169.81 175.13 5.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.016 -170.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 59.99 -124.96 37.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.554 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.87 -21.06 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.41 . . . . 0.0 110.836 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.5 153.51 19.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.261 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.435 ' H ' ' CD2' ' A' 1012 ' ' HIS . . . 179.99 101.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.562 -177.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . 0.593 ' HD2' HD12 ' A' 1006 ' ' LEU . 50.2 m-70 -138.46 168.0 20.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.996 -170.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . . . . . . . . . 82.8 m95 -105.44 130.65 53.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.663 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 51.2 m -60.63 -16.27 36.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.46 -170.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 8.1 t -84.95 141.72 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 0.0 111.461 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 151.51 55.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.42 172.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.09 104.07 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.619 2.213 . . . . 0.0 112.042 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.478 ' O ' HD13 ' A' 1019 ' ' ILE . 84.8 Cg_endo -82.25 178.6 6.16 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.679 2.253 . . . . 0.0 112.493 -173.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.847 ' HB ' HD13 ' A' ' 997' ' ' ILE . 12.5 mm -125.29 163.0 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.459 ' N ' HG22 ' A' 1019 ' ' ILE . 37.3 m -114.06 78.77 1.18 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.727 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -96.95 136.28 37.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 993' ' ' GLY . 58.3 ttp180 -60.62 132.24 53.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . 0.45 HG12 ' HB3' ' A' ' 995' ' ' ARG . 63.0 mt -62.7 125.98 87.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 -178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.25 1.083 0 C-N-CA 122.538 2.159 . . . . 0.0 112.297 179.619 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 36.2 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.787 0.327 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . 0.434 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 86.6 m -95.79 127.03 41.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.94 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -75.22 128.87 36.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 966' ' ' PRO . 58.3 p -53.83 135.85 55.92 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.03 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 965' ' ' THR . 15.7 Cg_exo -68.03 135.85 36.16 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.649 2.233 . . . . 0.0 112.225 -174.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.84 123.99 10.98 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.546 2.164 . . . . 0.0 112.148 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . 0.472 ' OD1' ' HA ' ' A' ' 973' ' ' MET . 9.3 m-20 -63.56 111.12 4.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -177.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.37 -168.81 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.63 2.22 . . . . 0.0 112.167 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.92 127.35 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.054 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 991' ' ' THR . 79.1 m-20 50.14 49.02 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.17 163.99 28.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.597 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . 0.472 ' HA ' ' OD1' ' A' ' 968' ' ' ASP . 0.0 OUTLIER -163.99 140.74 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.994 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 986' ' ' ILE . 9.8 p -95.82 147.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -79.14 -47.28 16.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.249 -173.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 73.3 t 54.51 97.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.037 0.446 . . . . 0.0 111.003 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.16 -68.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.382 -175.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 62.8 m -156.54 -67.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.304 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 981' ' ' GLN . 9.7 m-20 -101.6 131.78 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.997 -175.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 980' ' ' ILE . 18.3 mt -87.5 2.0 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.68 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . 0.459 ' HG2' ' HB3' ' A' ' 979' ' ' ASP . 11.6 pt20 -57.73 147.47 27.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.939 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . 0.427 ' HA ' ' HB3' ' A' 1004 ' ' CYS . 7.7 p -59.42 134.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 115.93 -10.48 18.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.422 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 46.8 t -91.71 166.84 12.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -140.24 91.05 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.447 HD12 HG21 ' A' ' 974' ' ' VAL . 34.1 pt -78.61 169.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 67.5 p -117.95 154.07 32.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.481 ' HB3' ' HA ' ' A' 1000 ' ' SER . 1.0 OUTLIER -129.48 138.16 51.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.769 -174.632 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . 0.673 ' HA ' HD11 ' A' ' 996' ' ' LEU . 89.9 p -159.87 152.6 21.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.174 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . 0.477 ' SG ' ' HG ' ' A' ' 996' ' ' LEU . 71.1 m -94.4 -169.46 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.738 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 971' ' ' ASN . 20.4 p -62.69 176.24 0.7 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.386 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 75.7 m -63.92 116.6 5.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . 90.93 23.26 30.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' A' ' 990' ' ' CYS . 56.0 m80 -137.02 116.85 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.829 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . 0.7 ' HB2' HD11 ' A' 1023 ' ' ILE . 96.4 mtt180 -112.5 135.3 53.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.035 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' A' ' 989' ' ' SER . 2.3 mp -70.42 149.27 47.43 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.932 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 20.8 mm -96.66 55.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.521 172.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -154.03 -119.76 0.74 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.704 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -107.24 -32.5 7.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.619 0.247 . . . . 0.0 111.261 -173.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . 0.481 ' HA ' ' HB3' ' A' ' 988' ' ' TYR . 90.6 p 49.1 29.42 2.49 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.031 -175.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 70.3 m -164.29 118.97 1.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -109.99 148.05 32.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.382 -174.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -141.29 120.83 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.713 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 44.2 t -62.14 113.99 3.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.1 pt -136.77 153.87 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.354 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.473 HD23 ' HB2' ' A' 1011 ' ' ALA . 60.6 mt -95.5 135.73 36.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.6 p -115.36 -41.29 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -150.59 -71.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.561 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -140.0 2.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 72.4 m -144.8 104.83 4.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.473 ' HB2' HD23 ' A' 1006 ' ' LEU . . . -60.45 137.76 58.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.9 p80 -147.07 173.74 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.798 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.669 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 64.8 m95 -86.91 145.62 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.8 m -66.35 -5.21 9.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 62.4 p -86.41 103.73 15.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.431 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.427 ' O ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -61.88 160.48 28.31 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 171.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 5.6 Cg_endo -47.85 102.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.859 2.373 . . . . 0.0 112.218 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.614 ' HB2' HD23 ' A' ' 996' ' ' LEU . 97.2 Cg_endo -85.12 169.43 10.07 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.759 2.306 . . . . 0.0 112.703 -172.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' 1020 ' ' CYS . 10.5 mt -129.59 163.29 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.58 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.466 ' N ' HG22 ' A' 1019 ' ' ILE . 72.4 m -115.66 119.28 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.836 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.22 112.02 17.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 993' ' ' GLY . 38.9 ttm180 -55.7 134.27 51.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 177.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 995' ' ' ARG . 21.9 mm -87.71 -50.7 0.42 Allowed Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.601 -174.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' 1023 ' ' ILE . 55.7 Cg_endo . . . . . 0 C--O 1.25 1.123 0 C-N-CA 122.135 1.89 . . . . 0.0 112.277 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 43.5 t . . . . . 0 N--CA 1.461 0.086 0 CA-C-O 120.901 0.381 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 35.2 m -87.39 155.69 19.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.869 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -166.07 110.07 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . 0.674 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 96.0 m -160.41 -55.98 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.988 -172.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.674 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 33.3 Cg_exo -61.04 122.53 11.33 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.548 2.166 . . . . 0.0 112.522 -169.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.75 176.73 1.19 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.613 2.209 . . . . 0.0 112.008 173.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . 0.721 ' HA ' HG11 ' A' ' 974' ' ' VAL . 4.4 p-10 -106.99 100.49 32.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.131 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . 0.767 ' HD2' ' HB ' ' A' ' 974' ' ' VAL . 66.1 Cg_exo -51.24 145.06 27.99 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.31 141.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.245 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 57.18 58.37 3.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . 0.549 ' HA3' ' HA ' ' A' ' 990' ' ' CYS . . . 163.99 153.55 7.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.762 177.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.1 ptp -83.93 159.02 21.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.73 0.3 . . . . 0.0 110.792 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . 0.767 ' HB ' ' HD2' ' A' ' 969' ' ' PRO . 7.4 p -139.64 146.91 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.464 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . 0.758 ' HD2' HG23 ' A' ' 976' ' ' VAL . 5.5 p-80 40.82 -163.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.311 177.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . 0.758 HG23 ' HD2' ' A' ' 975' ' ' HIS . 71.0 t 44.49 85.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.227 -169.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 44.4 mm -95.85 -41.92 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.713 171.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . 0.509 HG22 ' OD2' ' A' ' 979' ' ' ASP . 50.4 m -155.66 -43.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.677 175.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . 0.509 ' OD2' HG22 ' A' ' 978' ' ' THR . 10.7 m-20 -153.3 122.62 6.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.463 HG22 HG21 ' A' ' 986' ' ' ILE . 15.9 pt -105.32 41.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . 0.478 ' OE1' ' HB3' ' A' ' 979' ' ' ASP . 23.8 mp0 -89.94 -174.91 4.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.668 174.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.72 139.78 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.055 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 85.65 5.49 84.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.587 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 49.3 m -92.96 170.08 9.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.726 0.298 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -147.13 96.83 2.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 987' ' ' THR . 2.7 pp -89.99 -168.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.069 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . 0.469 ' N ' HD12 ' A' ' 986' ' ' ILE . 33.6 p -151.04 151.88 32.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.267 -173.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -102.06 116.53 32.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.662 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 56.8 m -90.3 -70.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 -174.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . 0.549 ' HA ' ' HA3' ' A' ' 972' ' ' GLY . 18.7 t 62.77 156.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 2.0 t -62.8 141.41 58.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.244 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 59.5 m -55.17 130.6 42.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.241 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 113.65 -37.14 3.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.332 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.547 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 0.4 OUTLIER -77.57 104.31 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.851 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -76.12 125.61 29.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' 1019 ' ' ILE . 73.0 mt -72.71 134.5 45.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.912 HD11 ' HB2' ' A' 1021 ' ' GLN . 4.0 mp -98.78 71.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 172.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . 0.493 ' HA3' ' HB3' ' A' 1018 ' ' PRO . . . -170.05 -108.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.495 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . 0.456 ' HD2' ' HB3' ' A' 1001 ' ' SER . 59.2 t60 -141.38 -13.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.776 -177.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . . . . . . . . . 37.5 t 62.68 19.15 11.16 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.971 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . 0.456 ' HB3' ' HD2' ' A' ' 999' ' ' HIS . 46.8 t -171.83 164.83 6.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.79 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -158.92 163.04 36.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.298 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -135.22 119.19 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.602 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . 0.517 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 47.2 t -73.82 101.04 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.99 -174.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.6 pt -116.71 148.29 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.136 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.509 ' H ' HD12 ' A' 1006 ' ' LEU . 5.4 mp -70.86 100.28 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 79.0 p -73.43 -19.79 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 178.2 -98.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.49 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 13.7 m120 -101.11 6.97 43.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 39.2 m -152.69 144.73 23.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.517 ' HB1' ' SG ' ' A' 1004 ' ' CYS . . . -78.51 113.84 16.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 -178.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -128.89 141.82 51.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.554 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 67.1 m95 -67.07 151.82 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.984 -177.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.7 m -68.34 -62.28 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . . . . . . . . . 63.3 p -64.47 178.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.38 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.823 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -109.04 144.33 29.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.689 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.77 109.39 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.612 2.208 . . . . 0.0 112.469 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.493 ' HB3' ' HA3' ' A' ' 998' ' ' GLY . 63.8 Cg_endo -73.27 178.74 6.21 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.608 2.205 . . . . 0.0 112.244 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.828 HG23 HD13 ' A' ' 997' ' ' ILE . 5.3 tp -144.44 160.19 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 111.368 -177.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.609 ' N ' HG13 ' A' 1019 ' ' ILE . 83.2 m -94.92 103.98 15.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.748 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . 0.912 ' HB2' HD11 ' A' ' 997' ' ' ILE . 9.7 tt0 -64.96 -41.39 95.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 -176.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 62.07 113.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.042 -175.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . 0.441 ' O ' HD12 ' A' 1023 ' ' ILE . 1.3 pp -94.27 152.45 40.24 Favored Pre-proline 0 N--CA 1.454 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.237 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 122.566 2.177 . . . . 0.0 112.295 179.487 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.814 0.34 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 963' ' ' CYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 980' ' ' ILE . 60.8 m -94.18 134.65 36.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -59.35 110.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 30.1 p -68.68 145.38 96.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.112 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 966' ' ' PRO . . . . . 0.425 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 74.5 Cg_endo -77.09 138.87 18.6 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.647 2.231 . . . . 0.0 112.567 -175.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.89 156.08 52.84 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.59 2.193 . . . . 0.0 112.167 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -58.03 111.54 3.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.045 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.91 153.08 59.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.613 2.209 . . . . 0.0 112.322 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.05 129.31 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 971' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 991' ' ' THR . 82.8 m-20 53.83 28.09 7.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -177.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -144.07 -172.67 14.93 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.0 ptp -166.62 130.9 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.954 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 974' ' ' VAL . . . . . 0.475 HG21 HD12 ' A' ' 986' ' ' ILE . 8.6 p -85.08 143.69 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.925 177.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -88.1 -41.49 13.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.238 -172.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 976' ' ' VAL . . . . . 0.406 ' HA ' ' CG2' ' A' ' 986' ' ' ILE . 87.5 t 49.89 88.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.973 0.416 . . . . 0.0 110.948 -175.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 977' ' ' ILE . . . . . 0.731 HG22 HG23 ' A' ' 978' ' ' THR . 3.2 mp -67.61 -71.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.221 -173.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 978' ' ' THR . . . . . 0.731 HG23 HG22 ' A' ' 977' ' ' ILE . 71.9 p -107.21 -58.25 1.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.315 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -144.06 -168.43 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.6 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 980' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 963' ' ' CYS . 1.5 pp -144.33 31.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -177.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -115.88 -166.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.681 176.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.91 130.97 25.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.24 -8.76 77.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 60.3 p -105.45 124.57 49.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.339 . . . . 0.0 110.987 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -106.18 124.84 50.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 986' ' ' ILE . . . . . 0.501 ' HA ' HD13 ' A' ' 977' ' ' ILE . 35.4 pt -110.67 173.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 175.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 68.2 p -131.11 143.02 50.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.35 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 988' ' ' TYR . . . . . 0.425 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 64.2 m-85 -109.81 150.13 28.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.735 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 55.3 m -151.42 130.35 12.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 44.3 t -110.79 172.12 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 991' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 971' ' ' ASN . 10.7 p -58.49 150.14 23.45 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.267 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 6.3 t -64.57 139.11 58.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.305 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 91.29 17.92 48.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.33 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 994' ' ' HIS . . . . . 0.415 ' CD2' ' HA ' ' A' 1022 ' ' ARG . 14.2 m80 -130.4 140.24 50.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 110.764 -177.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -91.71 110.0 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 996' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 997' ' ' ILE . 2.1 tm? -66.38 130.28 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 997' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' 1018 ' ' PRO . 77.6 mt -98.75 126.11 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.761 174.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . 0.742 ' HA2' ' HD3' ' A' 1016 ' ' LYS . . . 132.05 -103.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.34 -172.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -165.58 17.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 110.995 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1000 ' ' SER . . . . . 0.429 ' H ' HD12 ' A' ' 996' ' ' LEU . 36.5 t 56.21 15.47 1.9 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.176 -178.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1001 ' ' SER . . . . . . . . . . . . . 45.6 t -171.76 160.12 5.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . 0.806 ' HB2' HG23 ' A' 1015 ' ' THR . . . -148.92 146.26 27.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 111.565 -176.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -136.07 119.98 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.295 170.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 36.0 t -53.64 98.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1005 ' ' ILE . . . . . 0.566 HD13 ' HG ' ' A' 1006 ' ' LEU . 1.7 pp -89.18 -170.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.718 -174.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1006 ' ' LEU . . . . . 0.566 ' HG ' HD13 ' A' 1005 ' ' ILE . 28.7 mt 61.79 -82.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.021 -172.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 38.6 m 56.68 26.32 11.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 111.04 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -122.46 -97.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.193 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 7.6 p30 -78.41 -7.32 57.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.403 . . . . 0.0 110.55 173.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . 0.756 HG22 ' H ' ' A' 1011 ' ' ALA . 0.6 OUTLIER -152.93 -172.99 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.492 177.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1011 ' ' ALA . . . . . 0.756 ' H ' HG22 ' A' 1010 ' ' THR . . . -176.44 117.77 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.088 -174.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 9.4 p80 -163.58 174.63 11.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1013 ' ' TRP . . . . . 0.496 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 87.2 m95 -90.58 152.17 21.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1014 ' ' SER . . . . . . . . . . . . . 82.6 p -81.25 -3.76 53.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.312 -172.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1015 ' ' THR . . . . . 0.806 HG23 ' HB2' ' A' 1002 ' ' ALA . 21.0 p -79.66 151.74 30.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.238 178.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1016 ' ' LYS . . . . . 0.748 ' HB3' ' HD2' ' A' 1018 ' ' PRO . 13.0 mptt -92.38 141.15 24.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1017 ' ' PRO . . . . . 0.431 ' HB2' ' HD3' ' A' 1018 ' ' PRO . 75.8 Cg_exo -47.07 -45.84 20.41 Favored 'Trans proline' 0 CA--C 1.535 0.536 0 C-N-CA 122.672 2.248 . . . . 0.0 113.196 175.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1018 ' ' PRO . . . . . 0.748 ' HD2' ' HB3' ' A' 1016 ' ' LYS . 95.6 Cg_exo -43.13 -47.7 8.42 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.356 2.037 . . . . 0.0 112.845 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1019 ' ' ILE . . . . . 0.809 HG13 ' H ' ' A' 1020 ' ' CYS . 6.3 tp 46.28 -161.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.25 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1020 ' ' CYS . . . . . 0.809 ' H ' HG13 ' A' 1019 ' ' ILE . 52.9 t -35.36 125.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.269 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -92.66 -35.53 13.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -170.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1022 ' ' ARG . . . . . 0.481 ' HD3' ' ND2' ' A' ' 971' ' ' ASN . 55.7 ttp180 63.0 113.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 7.3 pt -101.1 144.71 29.1 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo . . . . . 0 C--O 1.25 1.102 0 C-N-CA 122.559 2.173 . . . . 0.0 112.321 179.01 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.814 0.34 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 960' ' ' ALA . . . -132.94 143.88 49.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.114 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 69.24 -8.47 0.7 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.22 178.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' ' 981' ' ' GLN . . . 59.81 -177.87 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.318 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 980' ' ' ILE . 39.7 ttpt 62.11 115.64 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.137 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 40.3 t -159.1 -8.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 89.0 m -95.87 126.8 41.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.056 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 24.1 pttm -74.44 130.85 40.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.825 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 70.8 p -60.79 134.49 92.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.161 -177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.465 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 60.5 Cg_endo -72.52 148.9 48.81 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.649 2.232 . . . . 0.0 112.373 -178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -66.76 146.49 78.71 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.59 2.194 . . . . 0.0 112.2 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.08 115.25 11.33 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.051 -178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.37 155.83 23.76 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.693 2.262 . . . . 0.0 112.33 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.36 131.51 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.5 ' O ' HG23 ' A' ' 991' ' ' THR . 78.0 m-20 53.5 30.5 10.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.971 -179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -151.56 -170.88 18.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 25.1 ptm -161.52 141.91 10.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.793 0.33 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.68 144.49 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -122.29 131.02 53.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 8.1 p -91.43 130.95 39.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.813 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.737 HG12 ' HA ' ' A' ' 986' ' ' ILE . 51.0 mm -76.12 -47.93 29.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.195 -176.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . 0.539 HG23 HG22 ' A' ' 977' ' ' ILE . 47.9 p -142.53 -63.17 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.263 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -148.62 171.22 16.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.756 -177.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.451 ' O ' ' HA ' ' A' ' 961' ' ' LYS . 8.3 mt -96.99 32.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.751 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . 0.466 ' HB3' ' HB1' ' A' ' 960' ' ' ALA . 76.7 mt-30 -85.5 144.44 27.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.878 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' 1004 ' ' CYS . 7.0 p -58.04 133.11 22.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.072 179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 105.51 -7.11 42.44 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.465 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 52.2 m -86.67 178.18 7.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.779 0.323 . . . . 0.0 110.855 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -148.83 91.08 1.83 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.972 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.737 ' HA ' HG12 ' A' ' 977' ' ' ILE . 39.8 pt -76.96 179.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 177.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 988' ' ' TYR . 4.1 m -136.88 164.06 29.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.025 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.482 ' HE1' ' HB2' ' A' 1002 ' ' ALA . 87.3 m-85 -123.13 157.1 33.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.785 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 30.6 t -141.47 173.66 11.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.016 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 35.8 t -159.07 171.77 19.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.56 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 971' ' ' ASN . 14.0 p -56.56 146.78 23.98 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 111.191 178.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 63.7 m -60.99 118.0 6.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.109 -177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 116.7 -9.69 16.46 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.569 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 3.4 m80 -107.22 120.06 41.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.681 0.277 . . . . 0.0 110.828 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.739 ' HB3' HE21 ' A' 1021 ' ' GLN . 30.0 tpt180 -82.51 139.98 33.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.786 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.432 HD21 ' HB3' ' A' 1018 ' ' PRO . 1.2 tm? -71.35 113.64 8.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.612 -178.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 29.5 mm -82.72 70.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.772 178.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -178.57 -120.73 0.67 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.557 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -122.44 -11.1 8.36 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.81 0.338 . . . . 0.0 111.049 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 49.2 m 60.0 25.95 15.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.681 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 94.2 p -163.39 172.18 14.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.785 -176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.482 ' HB2' ' HE1' ' A' ' 988' ' ' TYR . . . -152.07 160.94 43.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -145.25 113.34 6.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.833 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . 0.406 ' O ' HG23 ' A' ' 982' ' ' VAL . 52.8 t -63.32 99.73 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 40.1 pt -124.17 139.84 49.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.211 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.573 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.3 mp -85.95 125.16 33.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.803 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 81.2 p -93.92 18.08 11.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 131.54 -89.43 0.28 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.445 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.5 m120 -111.71 8.57 20.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 0.0 110.808 179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 61.9 m -148.11 119.73 8.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.049 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.573 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -91.25 132.53 36.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.197 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.2 p80 -147.23 173.25 12.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.464 ' NE1' ' HD3' ' A' ' 966' ' ' PRO . 67.6 m95 -85.15 133.86 34.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.773 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.8 t -65.89 -17.06 64.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.333 -172.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 9.2 t -91.58 138.12 31.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.906 0.384 . . . . 0.0 111.352 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.648 ' HD3' ' H ' ' A' 1016 ' ' LYS . 0.3 OUTLIER -75.51 157.61 84.24 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.612 174.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . 0.476 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.0 Cg_endo -50.61 107.4 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.746 2.297 . . . . 0.0 112.293 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.432 ' HB3' HD21 ' A' ' 996' ' ' LEU . 35.2 Cg_exo -58.3 150.33 67.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.696 2.264 . . . . 0.0 112.517 -175.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' 1020 ' ' CYS . 11.5 mm -123.69 165.11 20.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.703 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.569 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 69.7 m -124.03 116.4 22.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.657 177.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . 0.739 HE21 ' HB3' ' A' ' 995' ' ' ARG . 29.8 pt20 -83.78 -17.08 42.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.299 -170.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 63.16 114.22 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.975 -176.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 59.9 mt -115.22 126.66 27.57 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.037 -176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo . . . . . 0 C--O 1.25 1.09 0 C-N-CA 122.574 2.183 . . . . 0.0 112.347 179.528 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.791 0.329 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -92.99 21.49 5.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -98.03 138.84 34.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -146.47 96.63 2.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.089 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.445 ' HE3' HG12 ' A' ' 982' ' ' VAL . 21.3 ptmt -100.87 -163.93 1.07 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.799 179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.1 t 61.25 82.46 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.898 176.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 92.0 m -61.32 164.95 4.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.956 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 964' ' ' LYS . 13.6 mptt -72.64 -168.2 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.419 172.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . 0.522 HG22 HD13 ' A' ' 980' ' ' ILE . 43.0 p -114.54 133.82 22.44 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.106 178.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.8 147.78 94.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.741 2.294 . . . . 0.0 112.215 -177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.23 137.31 47.23 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.646 2.23 . . . . 0.0 112.143 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.96 113.77 7.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.971 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -56.43 144.3 84.08 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.632 2.221 . . . . 0.0 112.241 179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.424 HG22 ' OD1' ' A' ' 971' ' ' ASN . 8.0 p -63.21 136.15 26.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 178.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.424 ' OD1' HG22 ' A' ' 970' ' ' VAL . 2.6 m-20 53.55 22.44 2.98 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 -175.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.6 -162.78 10.05 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.549 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -165.78 148.46 7.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.342 . . . . 0.0 110.848 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.8 p -95.4 142.57 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -107.4 112.32 25.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.139 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 27.0 t -83.83 94.28 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.565 172.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 987' ' ' THR . 61.8 mt -60.25 -70.84 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.534 -173.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 979' ' ' ASP . 0.1 OUTLIER -112.65 -91.39 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.441 -176.509 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . 0.684 ' H ' HG23 ' A' ' 978' ' ' THR . 11.1 m-20 -122.36 -179.39 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.833 178.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.522 HD13 HG22 ' A' ' 965' ' ' THR . 28.0 mt -120.29 65.04 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.799 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -120.51 178.86 4.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.809 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . 0.445 HG12 ' HE3' ' A' ' 961' ' ' LYS . 7.5 p -66.27 136.35 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.042 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 95.76 -27.74 15.0 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.608 179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 41.2 t -67.93 157.33 35.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.955 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.464 ' O ' HD12 ' A' ' 977' ' ' ILE . 61.2 ttp180 -139.24 111.11 7.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.003 -177.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 43.8 pt -92.1 172.96 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . 0.5 HG23 HD11 ' A' ' 977' ' ' ILE . 66.6 p -128.58 142.9 50.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.25 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -99.75 170.01 8.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.949 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 94.8 p -161.54 164.57 29.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 15.8 t -149.99 172.03 15.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.64 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 1.8 t -54.78 140.52 35.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 3.7 t -55.84 125.63 22.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.33 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 120.4 -62.79 0.49 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.419 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.551 ' HA ' HG12 ' A' 1023 ' ' ILE . 0.5 OUTLIER -56.85 136.8 55.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.833 0.349 . . . . 0.0 110.973 -177.632 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.719 ' HG2' HD11 ' A' 1023 ' ' ILE . 28.8 mmm180 -84.1 138.1 33.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.958 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.546 HD11 ' HB3' ' A' 1018 ' ' PRO . 1.9 tm? -78.09 121.47 24.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.61 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' 1021 ' ' GLN . 34.6 mm -88.74 81.09 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 177.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 164.92 -114.09 0.58 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.431 -178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -150.17 9.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 0.0 110.805 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 94.7 p 48.7 29.18 2.09 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.294 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 47.9 t -164.78 161.6 20.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.853 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.776 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -156.68 159.09 38.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -135.25 129.63 33.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 53.0 t -69.27 104.1 2.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.909 -179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 39.5 pt -134.21 151.86 33.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.249 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 56.6 mt -88.44 99.83 12.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.914 177.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 56.0 m -104.17 14.17 30.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -178.51 -132.14 1.68 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -91.79 -7.51 49.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.893 0.377 . . . . 0.0 110.87 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 46.3 m -140.86 140.83 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.055 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.74 115.42 15.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.199 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -129.29 172.84 11.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.776 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 69.4 m95 -82.72 143.65 30.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.802 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.8 t -55.58 -68.98 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -175.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 67.7 p -63.69 139.65 58.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.44 -175.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.539 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -63.67 156.34 72.28 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.728 176.19 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -48.21 108.24 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.657 2.238 . . . . 0.0 112.369 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.546 ' HB3' HD11 ' A' ' 996' ' ' LEU . 33.8 Cg_exo -58.45 151.1 63.81 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.673 2.248 . . . . 0.0 112.434 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' 1020 ' ' CYS . 12.9 mm -121.58 164.24 18.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.645 177.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.478 ' N ' HG22 ' A' 1019 ' ' ILE . 84.7 m -109.2 92.65 4.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.037 -179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . 0.606 ' HB2' HD11 ' A' ' 997' ' ' ILE . 57.9 tp60 -66.58 99.37 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 177.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 84.5 mtm180 -56.89 139.92 50.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . 0.719 HD11 ' HG2' ' A' ' 995' ' ' ARG . 29.9 mm -108.08 -51.6 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.618 -176.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . 0.67 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 38.2 Cg_exo . . . . . 0 C--O 1.249 1.044 0 C-N-CA 122.244 1.963 . . . . 0.0 112.266 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 34.4 tp10 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.755 0.312 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 56.86 86.51 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.189 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -83.13 110.95 18.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -84.7 -64.82 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -134.75 142.57 46.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.762 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 78.3 p -153.4 -35.64 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.405 -175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . 0.458 ' HB2' ' O ' ' A' ' 980' ' ' ILE . 72.8 m -91.69 130.33 37.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.057 0.456 . . . . 0.0 111.265 -173.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -158.02 71.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.184 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . 0.672 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 99.3 m -122.04 -56.77 0.03 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 115.883 -0.598 . . . . 0.0 112.263 -166.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.672 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 77.5 Cg_exo -51.98 106.96 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.722 2.282 . . . . 0.0 112.925 -167.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -84.83 -162.6 0.16 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.782 2.321 . . . . 0.0 112.133 174.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -79.06 113.74 38.48 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.719 176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.1 152.78 76.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.514 2.143 . . . . 0.0 112.327 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.3 p -61.4 129.63 24.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 46.15 66.52 0.93 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 -178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 162.28 -160.57 32.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.563 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . 0.404 ' HG3' ' NE2' ' A' ' 975' ' ' HIS . 22.7 ptp -153.67 141.14 19.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 0.0 110.866 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.4 p -82.74 140.84 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . 0.404 ' NE2' ' HG3' ' A' ' 973' ' ' MET . 77.6 m-70 -117.67 103.8 10.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.12 -175.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 976' ' ' VAL . 4.3 p -80.95 110.87 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 173.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.769 HD11 HG23 ' A' ' 987' ' ' THR . 66.1 mt -59.27 -39.37 78.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.512 -172.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . 0.524 HG22 ' OD2' ' A' ' 979' ' ' ASP . 26.1 m -157.0 -50.1 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.167 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . 0.524 ' OD2' HG22 ' A' ' 978' ' ' THR . 12.5 m-20 -146.3 -167.63 2.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.541 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 963' ' ' CYS . 3.1 pt -147.36 34.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.9 -177.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -95.1 -178.24 4.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.909 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 43.7 t -60.44 137.58 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 83.26 -13.13 47.27 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.522 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 55.5 m -90.4 150.06 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.738 0.304 . . . . 0.0 110.943 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.628 ' HD3' ' HB2' ' A' 1001 ' ' SER . 38.7 ttm180 -130.22 132.9 46.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.812 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 21.7 pt -104.17 -177.23 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . 0.769 HG23 HD11 ' A' ' 977' ' ' ILE . 57.0 p -138.36 137.68 37.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.446 ' CD1' ' HG3' ' A' 1018 ' ' PRO . 82.2 m-85 -103.9 150.57 24.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.881 178.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 58.2 m -155.26 137.18 14.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.985 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 97.3 m -73.87 -177.89 3.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 6.8 t -76.41 -12.14 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 91.4 m -136.03 -40.7 0.67 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.051 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 136.88 28.62 0.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.385 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.618 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 88.3 m-70 -64.89 163.89 13.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' 1021 ' ' GLN . 78.6 ttt180 -62.33 134.16 56.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.42 HD21 ' HB2' ' A' 1018 ' ' PRO . 1.1 tm? -86.82 117.17 25.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.452 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.609 HD11 ' HB2' ' A' 1021 ' ' GLN . 34.2 mm -79.55 76.58 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.078 0.466 . . . . 0.0 110.733 178.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 151.17 -111.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.463 -176.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -148.07 129.45 14.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.813 0.34 . . . . 0.0 110.697 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 49.9 m -83.96 30.39 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.323 -174.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . 0.628 ' HB2' ' HD3' ' A' ' 985' ' ' ARG . 78.0 p -167.02 125.3 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.896 177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.828 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -113.16 158.97 19.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.223 -176.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -127.1 124.93 40.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.5 t -67.83 102.18 1.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.784 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 32.4 pt -118.34 168.78 9.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.451 -176.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 47.0 mt -124.08 133.98 53.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.912 178.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 79.3 p -150.11 -49.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -94.29 -129.83 5.65 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.449 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -99.15 -10.66 22.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 8.7 t -143.36 137.17 28.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.186 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -64.89 125.17 24.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.12 179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 17.7 p80 -131.94 144.61 50.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.76 178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.828 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 68.6 m95 -67.84 145.42 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -176.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 81.0 p -83.51 30.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.248 -175.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' 1002 ' ' ALA . 81.7 p -135.58 127.64 29.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.227 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.586 ' HB2' ' NZ ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -63.05 161.22 32.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.712 175.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 8.0 Cg_endo -49.89 115.56 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.622 2.215 . . . . 0.0 112.144 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.446 ' HG3' ' CD1' ' A' ' 988' ' ' TYR . 32.7 Cg_endo -64.4 144.23 84.97 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.626 2.217 . . . . 0.0 112.388 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' 1020 ' ' CYS . 10.4 mt -131.44 164.02 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.524 ' HB3' ' HB2' ' A' ' 994' ' ' HIS . 61.3 m -116.35 113.27 22.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.786 179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . 0.609 ' HB2' HD11 ' A' ' 997' ' ' ILE . 28.9 tt0 -72.59 -14.06 61.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 -175.261 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.618 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 40.3 ttm180 64.06 113.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.017 -178.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 66.6 mt -103.63 128.19 27.9 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.993 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 C--O 1.249 1.046 0 C-N-CA 122.447 2.098 . . . . 0.0 112.25 179.472 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.857 0.361 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -121.27 136.96 54.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -95.46 148.43 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . 60.59 -178.58 0.1 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.285 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.536 ' N ' ' HD3' ' A' ' 961' ' ' LYS . 0.3 OUTLIER -154.39 146.36 23.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.84 -178.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 47.9 t -168.35 117.94 0.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.012 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . 0.53 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 92.1 m -68.48 157.27 36.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -81.66 119.15 23.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 76.2 p -54.32 134.31 61.22 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.277 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.76 125.72 10.76 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.566 2.177 . . . . 0.0 112.374 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.82 146.84 43.83 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.559 2.172 . . . . 0.0 112.193 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -58.06 120.4 42.67 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.987 -178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . 0.402 ' HG3' ' CE2' ' A' ' 988' ' ' TYR . 62.6 Cg_endo -72.96 175.49 10.35 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.612 2.208 . . . . 0.0 112.341 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.6 128.07 34.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.438 ' O ' HG23 ' A' ' 991' ' ' THR . 80.4 m-20 55.87 22.01 5.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.04 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -139.12 178.44 19.5 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.599 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.6 ptp -152.15 172.72 15.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.747 0.308 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.4 p -136.79 146.01 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.036 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 -128.27 145.98 50.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 38.5 t -97.49 112.56 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.921 176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.503 HG12 ' HA ' ' A' ' 986' ' ' ILE . 48.9 mm -73.24 -45.69 52.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.317 -174.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . 0.566 HG22 ' OD2' ' A' ' 979' ' ' ASP . 28.1 m -135.3 -70.3 0.49 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.128 -177.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . 0.566 ' OD2' HG22 ' A' ' 978' ' ' THR . 11.7 m-20 -141.06 -176.6 4.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.619 HG23 ' HZ2' ' A' 1013 ' ' TRP . 29.4 mt -110.41 -10.03 11.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -178.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . 0.52 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 28.4 pt20 -68.92 174.73 4.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 51.3 t -65.72 141.66 17.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.066 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 95.29 -12.98 67.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.291 -177.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 56.4 m -93.18 136.34 33.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.717 0.294 . . . . 0.0 110.842 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -117.49 114.15 23.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.02 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.503 ' HA ' HG12 ' A' ' 977' ' ' ILE . 39.8 pt -95.55 174.11 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.918 175.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 988' ' ' TYR . 4.8 m -113.7 162.75 15.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.917 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.441 ' N ' HG22 ' A' ' 987' ' ' THR . 1.0 OUTLIER -149.75 124.53 9.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.669 -175.25 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 32.2 t -149.84 174.87 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.173 -176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 7.0 t -119.95 -170.11 1.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.34 178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.438 HG23 ' O ' ' A' ' 971' ' ' ASN . 0.6 OUTLIER -59.12 -179.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.821 0.343 . . . . 0.0 111.564 179.152 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 69.5 m -55.58 -68.03 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.362 -174.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . 0.433 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . -84.35 42.92 3.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.599 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.505 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 71.7 m80 -143.16 116.43 9.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.926 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -86.55 139.08 31.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.876 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' 1000 ' ' SER . 1.7 tm? -69.78 108.05 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.428 178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' 1019 ' ' ILE . 34.4 mm -75.77 74.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.034 0.445 . . . . 0.0 110.747 178.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 178.61 -125.06 0.96 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.624 -177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 44.0 m-70 -104.82 -13.85 15.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.701 0.286 . . . . 0.0 111.094 -175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . 0.454 ' H ' HD12 ' A' ' 996' ' ' LEU . 55.1 m 59.38 18.49 6.83 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.012 -178.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 39.5 t -173.56 158.67 3.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.595 -178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.44 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -131.39 163.62 27.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.174 -177.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -149.01 118.17 6.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.2 t -62.24 100.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 43.0 pt -123.23 152.24 28.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.449 -174.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 60.5 mt -105.18 124.49 49.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.859 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.1 p -139.23 37.81 2.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 169.51 -85.51 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.502 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . 0.414 ' H ' ' H ' ' A' 1010 ' ' THR . 26.7 t-20 -157.61 -8.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . 0.414 ' H ' ' H ' ' A' 1009 ' ' ASN . 66.4 m -126.61 111.01 13.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 -179.294 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.53 ' HB1' ' SG ' ' A' ' 963' ' ' CYS . . . -59.57 129.47 42.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.324 179.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 20.0 p80 -150.35 168.68 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.809 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.619 ' HZ2' HG23 ' A' ' 980' ' ' ILE . 75.4 m95 -85.54 148.78 25.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.809 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 79.9 p -79.43 5.65 12.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 -174.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 44.2 p -86.42 137.94 32.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 111.408 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.794 ' HD3' ' H ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -97.79 166.01 14.37 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.369 173.538 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . 0.567 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 78.1 Cg_exo -39.78 102.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.711 2.274 . . . . 0.0 112.422 176.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.429 ' HG3' ' CE2' ' A' ' 988' ' ' TYR . 62.7 Cg_endo -74.03 154.53 47.55 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.641 2.228 . . . . 0.0 112.626 -171.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.542 ' HB ' ' HB ' ' A' ' 997' ' ' ILE . 9.7 mt -124.36 164.98 21.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.728 176.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.505 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 75.4 m -128.79 126.22 39.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.806 178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . 0.426 ' HB3' HD11 ' A' ' 997' ' ' ILE . 9.7 tt0 -126.5 130.39 50.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.907 -177.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.447 ' HG2' ' HD2' ' A' 1024 ' ' PRO . 79.7 ttt180 -58.67 118.73 5.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.778 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . 0.65 ' HB ' ' HD3' ' A' 1024 ' ' PRO . 58.4 mt -66.64 -49.93 48.22 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.644 -177.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . 0.65 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 49.9 Cg_exo . . . . . 0 C--O 1.249 1.028 0 C-N-CA 122.227 1.951 . . . . 0.0 112.346 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.805 0.336 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -154.53 16.71 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -136.63 -36.18 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -81.82 -174.54 5.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.091 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt 64.83 160.31 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.007 178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' A' ' 980' ' ' ILE . 47.4 t 60.82 90.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.179 179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 55.3 m -67.74 142.97 56.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.126 176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -59.83 112.75 1.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.781 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 72.1 p -57.34 134.86 81.45 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.189 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.74 150.63 68.61 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.557 2.171 . . . . 0.0 112.226 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . 0.446 ' HD2' ' HG3' ' A' 1017 ' ' PRO . 26.6 Cg_endo -61.87 146.15 96.63 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.61 2.206 . . . . 0.0 112.138 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -56.19 120.38 34.31 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.031 -177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -66.91 142.42 62.44 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.547 2.165 . . . . 0.0 112.359 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.661 HG22 HD22 ' A' ' 971' ' ' ASN . 14.8 p -62.12 131.51 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.781 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.661 HD22 HG22 ' A' ' 970' ' ' VAL . 46.7 m-80 50.23 74.43 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.792 -173.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' A' ' 990' ' ' CYS . . . 152.24 -173.02 31.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.591 179.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -161.42 137.67 8.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.851 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.54 135.77 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.044 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . 0.439 ' O ' ' HB ' ' A' ' 986' ' ' ILE . 10.0 t-80 -106.89 135.0 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.078 -175.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 40.8 t -96.12 89.68 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.82 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 985' ' ' ARG . 58.4 mt -60.65 -66.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.329 -176.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 63.2 m -96.9 -68.08 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.08 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . 0.43 ' HB3' ' HG2' ' A' ' 981' ' ' GLN . 17.0 t70 -165.46 170.32 14.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.508 HG23 ' HZ2' ' A' 1013 ' ' TRP . 9.1 mt -96.07 26.3 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.09 0.471 . . . . 0.0 110.71 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . 0.43 ' HG2' ' HB3' ' A' ' 979' ' ' ASP . 3.6 pt20 -103.03 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.811 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' 1006 ' ' LEU . 42.9 t -75.64 141.3 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.078 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 98.29 -6.67 61.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.384 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 96.5 p -94.26 170.73 9.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 977' ' ' ILE . 79.9 ttt180 -149.8 96.23 2.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.439 ' HB ' ' O ' ' A' ' 975' ' ' HIS . 39.2 pt -84.7 171.87 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.022 179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 69.3 p -134.7 136.31 42.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.236 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.402 ' HE2' ' HB2' ' A' 1002 ' ' ALA . 89.9 m-85 -90.25 138.87 31.18 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.85 178.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 55.3 m -141.74 127.67 19.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . 0.492 ' HA ' ' HA3' ' A' ' 972' ' ' GLY . 84.2 m -76.44 -176.72 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.466 HG22 ' HB3' ' A' ' 971' ' ' ASN . 6.7 t -63.13 -32.63 74.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.0 111.209 -176.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 87.8 m -134.44 -50.83 0.8 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.076 -178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 162.83 32.99 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.416 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.58 ' HB2' ' HB3' ' A' 1020 ' ' CYS . 23.6 m-70 -58.94 144.68 44.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.81 0.338 . . . . 0.0 110.827 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -64.11 108.9 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.684 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' 1019 ' ' ILE . 15.1 tp -64.21 155.39 31.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -175.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 72.9 mt -109.01 122.19 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.692 170.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 104.82 -111.34 3.75 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.433 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -141.46 129.19 21.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.72 0.295 . . . . 0.0 111.133 -176.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 35.7 t -76.56 44.29 0.35 Allowed 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.974 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 47.5 t -166.91 162.3 15.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.645 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -157.0 156.81 33.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.25 -179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -135.6 132.58 37.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.745 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . 0.46 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 52.5 t -77.99 94.43 4.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.013 -177.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 31.6 pt -123.65 136.9 58.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.287 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.616 ' HA ' ' HA ' ' A' 1011 ' ' ALA . 4.9 mp -77.99 -15.71 58.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.935 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 98.0 p 50.68 22.43 1.1 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.454 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 138.58 -69.81 0.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.501 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -156.43 13.53 0.29 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.773 0.32 . . . . 0.0 110.912 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 2.5 t -130.78 105.98 8.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.236 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.616 ' HA ' ' HA ' ' A' 1006 ' ' LEU . . . -69.25 113.77 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.198 -177.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.8 p80 -149.47 178.86 8.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.675 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.508 ' HZ2' HG23 ' A' ' 980' ' ' ILE . 83.9 m95 -95.2 141.86 28.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.892 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 46.3 t -68.35 -4.1 13.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.333 -172.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 82.6 p -127.22 123.39 36.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.273 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.592 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -59.19 153.97 43.59 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.877 178.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . 0.446 ' HG3' ' HD2' ' A' ' 967' ' ' PRO . 73.4 Cg_exo -49.65 108.05 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.724 2.283 . . . . 0.0 112.398 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.478 ' HB2' HD11 ' A' ' 996' ' ' LEU . 73.9 Cg_endo -75.59 167.24 26.89 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.6 2.2 . . . . 0.0 112.475 -176.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.515 ' O ' HD12 ' A' ' 996' ' ' LEU . 12.8 mm -124.71 162.54 26.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.82 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.58 ' HB3' ' HB2' ' A' ' 994' ' ' HIS . 99.7 m -109.8 120.48 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.035 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -108.11 110.03 21.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.761 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.535 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 33.6 ttm180 -57.32 132.47 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.959 -178.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 63.8 mt -79.34 127.45 78.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.037 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo . . . . . 0 C--O 1.249 1.031 0 C-N-CA 122.629 2.219 . . . . 0.0 112.264 179.79 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.796 0.332 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -146.71 78.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -156.0 94.43 1.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -96.35 79.48 3.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.017 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 962' ' ' SER . 23.2 ttmm -164.88 170.73 15.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.694 -177.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . 0.445 ' N ' ' HG2' ' A' ' 961' ' ' LYS . 90.6 p 51.05 87.36 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.169 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 61.4 m -78.4 137.52 38.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.008 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -64.53 101.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 64.0 p -57.54 136.02 82.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.24 -177.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.506 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 69.5 Cg_endo -74.03 150.31 43.04 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.658 2.238 . . . . 0.0 112.243 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.09 129.65 23.58 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.564 2.176 . . . . 0.0 112.207 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . 0.489 ' HB2' ' HA ' ' A' ' 973' ' ' MET . 4.5 p-10 -58.42 127.13 80.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.965 -178.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . 0.405 ' HB3' ' HB2' ' A' 1020 ' ' CYS . 51.5 Cg_exo -54.64 144.44 64.3 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.632 2.222 . . . . 0.0 112.238 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.659 HG13 HD22 ' A' ' 971' ' ' ASN . 14.2 p -59.3 145.19 11.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -178.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.659 HD22 HG13 ' A' ' 970' ' ' VAL . 44.5 m-80 73.29 -29.46 0.2 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.514 -178.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 970' ' ' VAL . . . -123.76 -149.36 7.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.529 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . 0.489 ' HA ' ' HB2' ' A' ' 968' ' ' ASP . 0.0 OUTLIER -165.35 -175.9 3.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 988' ' ' TYR . 8.6 m -90.3 -174.54 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.298 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 38.5 t60 -149.67 88.16 1.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.719 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.51 100.98 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.792 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.618 HD11 HG23 ' A' ' 987' ' ' THR . 66.4 mt -60.09 -37.77 74.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.37 -176.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 62.0 m -152.07 -59.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.194 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 11.6 p30 -145.54 -168.34 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.666 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 2.6 pt -147.01 36.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.042 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -92.59 -171.42 2.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.776 177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 49.8 t -67.79 131.55 33.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.016 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.97 -9.48 75.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.43 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 84.1 p -73.55 168.78 18.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.472 ' O ' HD12 ' A' ' 977' ' ' ILE . 80.2 ttt180 -153.06 86.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 46.0 pt -76.67 -178.17 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 176.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . 0.618 HG23 HD11 ' A' ' 977' ' ' ILE . 63.8 p -141.51 150.95 42.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 111.187 -175.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.464 ' CD1' HG12 ' A' ' 974' ' ' VAL . 76.3 m-85 -97.79 131.53 44.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.761 179.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 47.0 t -95.8 -43.99 7.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.403 -172.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 1.3 m 57.61 -175.85 0.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.085 -172.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 2.6 p -69.44 -95.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.414 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 96.1 m -138.65 -73.13 0.4 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.207 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . -100.66 51.88 0.97 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.58 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -126.17 137.0 53.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.77 0.319 . . . . 0.0 110.854 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -96.29 144.11 26.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.799 -179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.458 HD22 ' H ' ' A' ' 999' ' ' HIS . 8.5 tt -89.49 127.08 35.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.704 HD13 ' HB ' ' A' 1019 ' ' ILE . 4.1 mp -74.14 81.89 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 175.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 167.37 -94.37 0.11 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.448 -174.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . 0.458 ' H ' HD22 ' A' ' 996' ' ' LEU . 80.2 t60 -145.42 -85.68 0.12 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.648 0.261 . . . . 0.0 111.023 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 48.1 t -179.95 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.87 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . 0.435 ' H ' ' HD2' ' A' ' 999' ' ' HIS . 80.0 p -137.25 -175.64 4.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -177.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.562 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -141.96 136.14 30.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.258 -178.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -122.58 121.74 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.668 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . 0.52 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 45.2 t -76.14 102.64 5.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.026 -175.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 44.3 pt -124.63 143.48 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.208 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 65.9 mt -73.08 99.13 2.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 54.9 m -92.41 27.89 2.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.963 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 164.47 -91.36 0.11 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -138.5 10.17 2.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 48.0 m -145.12 138.77 26.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.52 ' HB1' ' SG ' ' A' 1004 ' ' CYS . . . -72.25 114.15 10.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.243 -179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -130.82 172.4 12.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.734 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.562 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 85.9 m95 -93.0 143.09 26.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.817 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 50.7 m -64.52 -16.87 63.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.44 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 7.3 t -105.07 137.14 43.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.912 0.387 . . . . 0.0 111.29 -178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.558 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -60.58 164.03 7.96 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.775 176.767 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . 0.521 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 81.1 Cg_exo -40.83 121.02 1.15 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.69 2.26 . . . . 0.0 112.479 177.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.413 ' HG3' ' CE1' ' A' ' 988' ' ' TYR . 74.5 Cg_endo -75.48 142.57 26.59 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.64 2.227 . . . . 0.0 112.699 -171.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.704 ' HB ' HD13 ' A' ' 997' ' ' ILE . 12.0 mt -126.96 163.11 30.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.513 173.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.46 ' N ' HG22 ' A' 1019 ' ' ILE . 5.7 t -133.76 100.15 4.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . 0.427 ' HB2' HD11 ' A' ' 997' ' ' ILE . 36.0 tt0 -109.45 134.86 51.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.99 -176.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.596 ' HD3' ' H ' ' A' 1022 ' ' ARG . 0.0 OUTLIER -63.19 143.09 58.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.88 178.179 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . 0.555 ' N ' ' HD2' ' A' 1024 ' ' PRO . 66.0 mt -85.55 -50.41 0.53 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.534 -178.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . 0.555 ' HD2' ' N ' ' A' 1023 ' ' ILE . 49.9 Cg_endo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.194 1.929 . . . . 0.0 112.339 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.783 0.325 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -153.84 23.4 0.51 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.079 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -101.69 18.87 19.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.962 -179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -132.18 -71.65 0.54 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.05 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.575 ' HD2' ' HB ' ' A' ' 982' ' ' VAL . 39.7 ttpt -167.63 112.65 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 78.8 p 178.29 131.68 0.07 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.913 -178.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 98.5 m -99.35 143.53 29.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.754 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -85.64 20.15 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.319 -172.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . 0.684 HG22 HG21 ' A' ' 980' ' ' ILE . 12.0 p 61.95 137.79 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.235 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.65 176.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.426 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 72.7 Cg_endo -76.03 139.41 21.67 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.619 2.212 . . . . 0.0 112.293 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.23 138.2 46.2 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.52 2.147 . . . . 0.0 112.18 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -59.06 114.53 9.32 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.898 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.39 163.92 32.71 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.529 2.152 . . . . 0.0 112.206 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.42 134.47 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.113 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.403 ' HB3' ' CG2' ' A' ' 991' ' ' THR . 81.0 m-20 57.31 16.74 3.28 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -128.13 160.89 22.01 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.694 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 18.9 ptt? -150.99 101.11 2.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.953 0.406 . . . . 0.0 110.876 179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.55 164.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.285 -177.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -115.45 94.59 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.998 -177.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 96.4 t -66.92 111.28 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.818 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.14 -63.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.21 -178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 55.9 m -156.42 -31.58 0.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.005 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -144.2 -170.54 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.515 -179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.684 HG21 HG22 ' A' ' 965' ' ' THR . 1.5 pp -143.6 29.63 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.108 -178.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -108.53 -172.21 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.662 175.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . 0.575 ' HB ' ' HD2' ' A' ' 961' ' ' LYS . 79.6 t -64.41 133.03 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.044 178.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 106.09 -16.04 42.96 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.276 -176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 84.0 p -100.72 131.75 46.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.728 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -119.89 93.86 4.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 44.5 pt -89.56 171.68 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 174.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 66.1 p -141.48 150.19 41.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.407 -174.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -85.41 127.17 34.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.601 176.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 990' ' ' CYS . 47.1 t -81.44 -62.79 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.46 -172.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 989' ' ' SER . 15.3 m 61.24 125.21 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.932 -169.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.459 HG23 ' ND1' ' A' ' 994' ' ' HIS . 3.5 t -56.47 147.34 22.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.312 -176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 72.5 m -54.36 130.21 38.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.227 -177.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 105.63 7.03 37.41 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.325 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.594 ' NE2' ' HG2' ' A' 1022 ' ' ARG . 42.6 m80 -132.85 147.58 52.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.805 0.336 . . . . 0.0 110.915 -178.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -102.82 167.8 9.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' 1018 ' ' PRO . 3.9 mm? -96.9 124.24 40.82 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.198 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.787 HD11 ' HB2' ' A' 1021 ' ' GLN . 18.8 mm -87.23 45.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.182 0.515 . . . . 0.0 110.32 169.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . 0.445 ' HA3' ' HB3' ' A' 1018 ' ' PRO . . . -159.14 -95.17 0.1 Allowed Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.585 -175.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -162.56 -11.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.847 0.356 . . . . 0.0 111.095 -177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . 0.592 ' HB2' ' HG ' ' A' ' 996' ' ' LEU . 35.3 t 62.86 14.1 7.12 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.938 179.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 66.3 m -158.56 145.79 17.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -143.04 165.43 27.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.14 -179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -139.9 129.56 24.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . 0.417 ' O ' HG22 ' A' ' 982' ' ' VAL . 43.2 t -72.75 104.39 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.782 -178.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.3 pt -130.47 145.43 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.67 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.7 mp -81.91 137.55 35.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.797 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 58.3 m -114.22 31.3 6.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.915 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 121.65 -95.0 0.55 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.531 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.0 m120 -109.81 9.43 24.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.737 0.303 . . . . 0.0 110.91 179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 61.1 m -149.65 122.06 8.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.052 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.67 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -96.38 125.1 40.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.3 p80 -142.35 178.01 7.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.815 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.498 ' HE1' ' HA ' ' A' ' 965' ' ' THR . 84.8 m95 -85.24 139.48 31.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.99 -178.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 50.1 m -55.55 -74.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.213 -172.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 79.9 p -65.02 138.07 58.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.372 -174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.75 154.01 76.72 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.602 175.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.95 103.4 0.29 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.587 2.191 . . . . 0.0 112.047 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.611 ' HB2' HD12 ' A' ' 996' ' ' LEU . 2.8 Cg_exo -76.43 153.22 34.97 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.914 2.409 . . . . 0.0 112.329 -172.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.443 HG22 ' N ' ' A' 1020 ' ' CYS . 9.4 mt -93.02 162.57 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.68 175.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.443 ' N ' HG22 ' A' 1019 ' ' ILE . 55.6 m -101.81 96.52 7.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.812 -178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . 0.787 ' HB2' HD11 ' A' ' 997' ' ' ILE . 57.9 tp60 -62.15 124.19 20.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.059 -176.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.594 ' HG2' ' NE2' ' A' ' 994' ' ' HIS . 1.0 OUTLIER -88.56 82.8 6.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.639 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 35.6 pt -62.62 143.51 96.43 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.312 -177.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 C--O 1.249 1.053 0 C-N-CA 122.578 2.186 . . . . 0.0 112.246 -179.702 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.792 0.33 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -108.04 113.17 26.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.12 -71.09 0.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.649 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -166.65 117.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -111.28 139.53 46.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.8 t -136.34 143.9 44.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 84.3 m -92.26 135.4 34.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -141.24 105.67 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . 0.765 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 89.6 m -161.84 -53.78 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.85 -175.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.765 ' HD2' ' H ' ' A' ' 965' ' ' THR . 10.9 Cg_endo -54.56 108.34 0.29 Allowed 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.831 2.354 . . . . 0.0 112.609 -174.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.09 -167.41 0.47 Allowed 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 123.029 2.486 . . . . 0.0 112.041 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -95.03 105.98 22.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.689 175.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.73 134.62 41.47 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.5 2.133 . . . . 0.0 112.418 -176.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 12.5 p -64.51 141.86 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.967 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 53.38 59.24 4.51 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.827 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 163.07 -154.74 25.81 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.443 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -166.39 137.32 3.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.963 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.08 145.04 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.985 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . 0.408 ' CD2' HD13 ' A' ' 977' ' ' ILE . 31.6 t60 -67.36 -60.48 2.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.94 -175.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 72.7 t 56.97 101.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.245 -177.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.43 ' H ' HG22 ' A' ' 986' ' ' ILE . 50.1 mm -56.86 -76.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.202 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 69.0 m -158.63 -66.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -105.35 -7.72 18.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.835 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 43.0 pt 36.41 46.98 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.872 175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -91.21 -172.98 3.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.818 179.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 6.7 p -58.79 133.84 23.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.032 179.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . 0.427 ' H ' ' HB2' ' A' 1004 ' ' CYS . . . 96.34 -23.42 34.98 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.53 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 44.5 t -75.12 158.15 33.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -136.7 109.88 7.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.956 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' ' 977' ' ' ILE . 42.9 pt -96.8 171.53 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 176.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 68.6 p -133.89 128.77 35.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.234 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.406 ' OH ' ' HB3' ' A' ' 966' ' ' PRO . 72.4 m-85 -91.58 124.64 35.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.72 178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 80.1 p -132.54 128.46 37.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.004 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 72.5 m -89.58 -173.9 4.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.804 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.405 HG23 ' ND1' ' A' ' 994' ' ' HIS . 5.1 t -79.35 156.46 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.851 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 3.3 t -57.02 120.55 8.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.293 -177.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 110.25 15.81 11.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.538 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.405 ' ND1' HG23 ' A' ' 991' ' ' THR . 65.8 m80 -137.27 145.0 42.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 0.0 111.022 -179.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.572 ' HB3' HE21 ' A' 1021 ' ' GLN . 78.6 ttt180 -106.37 153.47 22.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.961 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' 1018 ' ' PRO . 1.2 tm? -76.15 125.08 28.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -176.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.771 HD11 ' HB3' ' A' 1021 ' ' GLN . 37.9 mm -83.16 82.22 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.098 0.475 . . . . 0.0 110.677 173.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . 0.574 ' HA2' ' NZ ' ' A' 1016 ' ' LYS . . . 153.93 -93.9 0.14 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.347 -174.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . 0.536 ' H ' HD12 ' A' ' 996' ' ' LEU . 36.7 t60 -144.64 -81.11 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.649 0.261 . . . . 0.0 110.714 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 91.0 p -176.14 -48.69 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.859 176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 79.7 p -138.07 179.26 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.654 ' HB2' HG22 ' A' 1015 ' ' THR . . . -141.98 172.01 13.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 -179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -144.26 137.66 27.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.767 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . 0.427 ' HB2' ' H ' ' A' ' 983' ' ' GLY . 56.4 m -63.15 91.25 0.05 OUTLIER 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.12 179.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 18.3 pt -105.92 154.63 7.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.36 177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 76.3 mt -104.79 126.95 52.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.887 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 51.5 m -107.37 -23.36 12.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 178.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -151.02 -81.56 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.424 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 8.3 p30 -139.63 14.69 2.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 51.0 m -148.15 134.3 19.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.047 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -75.44 115.08 14.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -178.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -126.17 143.53 51.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.63 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.539 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 71.7 m95 -67.76 146.83 53.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 -176.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 68.6 p -60.01 -67.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.174 -176.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . 0.654 HG22 ' HB2' ' A' 1002 ' ' ALA . 9.1 t -69.79 152.77 44.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.371 -175.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.574 ' NZ ' ' HA2' ' A' ' 998' ' ' GLY . 0.0 OUTLIER -79.9 160.64 68.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.767 178.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -44.32 106.61 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.65 2.233 . . . . 0.0 112.424 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.537 ' HB3' HD11 ' A' ' 996' ' ' LEU . 57.4 Cg_endo -71.66 148.59 53.4 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.626 2.217 . . . . 0.0 112.66 -173.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.686 ' H ' ' HB ' ' A' ' 997' ' ' ILE . 13.4 mm -115.17 165.36 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.567 176.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' 1019 ' ' ILE . 58.5 m -111.28 107.41 16.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 110.911 -178.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . 0.771 ' HB3' HD11 ' A' ' 997' ' ' ILE . 11.2 pt20 -92.78 146.29 23.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -81.51 107.22 14.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 61.4 mt -66.08 128.0 93.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.069 -178.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo . . . . . 0 C--O 1.248 1.004 0 C-N-CA 122.552 2.168 . . . . 0.0 112.237 179.444 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -90.17 9.67 27.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.09 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -75.12 -47.22 29.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -90.91 103.04 15.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.046 179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -83.4 147.45 27.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.962 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 53.6 m -124.34 168.39 13.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . 0.412 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 71.1 m -89.42 161.36 16.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -151.08 41.31 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . 0.797 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 70.6 m -103.38 -51.79 0.13 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.292 -171.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.797 ' HD2' ' H ' ' A' ' 965' ' ' THR . 6.5 Cg_endo -49.54 105.46 0.1 OUTLIER 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.967 2.445 . . . . 0.0 112.75 -168.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -85.27 -165.0 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.868 2.379 . . . . 0.0 112.175 176.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -103.81 110.39 63.86 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.774 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . 0.427 ' HG2' ' C ' ' A' ' 972' ' ' GLY . 33.5 Cg_endo -64.96 167.48 15.8 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.6 2.2 . . . . 0.0 112.394 -176.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.12 128.95 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.768 176.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 57.86 12.22 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.085 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.427 ' C ' ' HG2' ' A' ' 969' ' ' PRO . . . -130.39 -165.0 11.47 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . 0.459 ' HG3' ' NE2' ' A' ' 975' ' ' HIS . 23.8 ptt? -163.42 135.16 4.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.771 0.319 . . . . 0.0 110.829 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.4 145.93 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.059 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . 0.466 ' O ' ' HB ' ' A' ' 986' ' ' ILE . 77.9 m-70 -129.64 145.04 51.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . 0.402 ' HA ' HG22 ' A' ' 986' ' ' ILE . 6.7 p -109.15 119.63 58.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.971 177.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.741 HD11 HG23 ' A' ' 987' ' ' THR . 48.1 mt -75.91 -35.15 29.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.23 -177.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 48.2 p -138.78 -68.01 0.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -150.86 -171.16 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.749 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.45 HG22 ' O ' ' A' ' 980' ' ' ILE . 28.2 mm -118.96 -7.52 11.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.678 178.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . 0.458 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 4.0 pt20 -67.29 -173.13 0.26 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.981 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.1 p -69.6 133.57 31.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 89.78 8.9 66.88 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.709 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 91.5 p -98.17 146.8 25.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.781 0.324 . . . . 0.0 110.801 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 58.4 ttp180 -121.68 130.91 53.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 975' ' ' HIS . 36.9 pt -128.44 169.6 19.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.064 177.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . 0.741 HG23 HD11 ' A' ' 977' ' ' ILE . 71.5 p -135.29 130.45 35.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.167 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -87.63 136.96 32.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.2 m -120.89 169.15 10.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 22.4 t -153.23 162.37 41.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.709 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.497 HG23 ' ND1' ' A' ' 994' ' ' HIS . 5.1 t -60.8 151.78 28.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.304 -178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 64.7 m -60.32 137.67 58.09 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.076 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 94.42 8.19 60.0 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.327 -177.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 991' ' ' THR . 44.5 m80 -134.85 114.78 12.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.311 . . . . 0.0 110.771 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.631 ' HB2' HD11 ' A' 1023 ' ' ILE . 9.8 mpt_? -90.36 136.82 32.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.052 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.639 HD21 ' HB3' ' A' 1018 ' ' PRO . 9.3 tt -75.5 126.6 31.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.837 -178.089 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.2 79.38 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 173.29 -115.42 0.56 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.469 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -140.62 -0.2 1.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.871 -178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . 0.42 ' H ' HD22 ' A' ' 996' ' ' LEU . 97.3 p 49.09 27.44 1.73 Allowed 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.453 179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 46.6 t -162.96 161.74 25.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.678 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -164.78 172.85 12.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -145.61 136.11 24.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 5.3 m -68.13 88.83 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 30.0 pt -99.85 128.86 51.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.214 177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 31.2 mt -86.15 117.8 25.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.04 178.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.412 ' HB2' ' NE2' ' A' 1012 ' ' HIS . 49.4 m -143.8 91.24 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 105.29 39.53 2.24 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.46 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 17.1 m120 57.64 24.88 11.02 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.856 0.36 . . . . 0.0 110.997 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 7.2 t -142.51 131.71 23.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.245 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.412 ' HB1' ' SG ' ' A' ' 963' ' ' CYS . . . -85.9 114.3 22.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 178.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . 0.412 ' NE2' ' HB2' ' A' 1007 ' ' SER . 19.0 p80 -140.45 141.95 35.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.754 178.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.678 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 65.7 m95 -69.71 147.57 50.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -178.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 76.8 p -61.36 -62.55 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 77.7 p -68.07 141.79 56.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.42 -175.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.482 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.2 OUTLIER -64.44 158.51 65.93 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 176.357 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . 0.482 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.2 Cg_endo -52.42 108.2 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.735 2.29 . . . . 0.0 112.265 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.639 ' HB3' HD21 ' A' ' 996' ' ' LEU . 36.6 Cg_exo -58.44 159.02 20.93 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.787 2.324 . . . . 0.0 112.506 -175.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' 1020 ' ' CYS . 10.9 mt -132.03 164.07 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.718 177.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.478 ' N ' HG22 ' A' 1019 ' ' ILE . 79.4 m -106.16 120.28 41.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.982 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -112.83 104.92 12.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.851 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -56.4 145.15 28.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.845 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . 0.631 HD11 ' HB2' ' A' ' 995' ' ' ARG . 24.8 mm -102.53 127.3 30.68 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.135 -176.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo . . . . . 0 C--O 1.248 1.022 0 C-N-CA 122.561 2.174 . . . . 0.0 112.329 179.319 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.864 0.364 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 60.84 -172.72 0.13 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.199 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 56.23 84.84 0.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -75.09 88.73 2.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.101 -179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.555 ' HE2' HG13 ' A' ' 980' ' ' ILE . 59.6 tttm -114.75 117.17 30.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 80.3 p -177.76 30.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.053 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 63.4 m -79.4 125.91 30.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.842 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -65.61 94.04 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 65.0 p -60.68 130.99 90.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.544 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 91.7 Cg_endo -79.67 142.33 16.04 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.669 2.246 . . . . 0.0 112.53 -177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -68.52 147.26 70.32 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.5 2.133 . . . . 0.0 111.935 174.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 969' ' ' PRO . 9.6 m-20 -51.77 106.47 0.66 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -175.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . 0.48 ' O ' HG12 ' A' ' 970' ' ' VAL . 13.5 Cg_exo -69.97 106.23 1.66 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.761 2.307 . . . . 0.0 112.095 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.795 HG22 ' H ' ' A' ' 971' ' ' ASN . 2.9 p 43.44 -164.2 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.454 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.795 ' H ' HG22 ' A' ' 970' ' ' VAL . 23.0 m-80 -47.82 -33.17 6.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.669 0.271 . . . . 0.0 111.145 -178.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.683 ' HA2' ' HA ' ' A' ' 990' ' ' CYS . . . -61.27 121.58 26.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.534 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.7 ptm -92.1 136.17 33.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.944 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.65 141.16 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.981 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -104.12 89.39 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 7.7 p -74.65 122.55 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.914 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.471 HD11 ' O ' ' A' ' 985' ' ' ARG . 58.1 mt -58.64 -82.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.255 -175.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 47.8 m -161.47 -24.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.899 -177.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . 0.534 ' HB3' HE22 ' A' ' 981' ' ' GLN . 10.6 m-20 -143.9 124.35 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.584 -175.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.555 HG13 ' HE2' ' A' ' 961' ' ' LYS . 5.3 pt -103.97 49.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.449 -173.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . 0.546 ' HG3' ' HB2' ' A' ' 961' ' ' LYS . 0.1 OUTLIER -91.31 166.71 12.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.763 173.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 60.3 t -63.58 134.85 28.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.038 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 101.29 -3.63 54.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.279 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 62.1 m -81.84 162.24 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.471 ' O ' HD11 ' A' ' 977' ' ' ILE . 40.3 ttm180 -142.16 87.85 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -178.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.417 HG22 HG13 ' A' ' 977' ' ' ILE . 44.4 pt -80.68 171.75 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 78.8 p -128.72 143.8 51.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.293 -176.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.544 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 22.6 m-85 -109.84 139.87 44.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.796 -179.187 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 33.4 t -147.85 174.94 11.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.052 -178.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . 0.683 ' HA ' ' HA2' ' A' ' 972' ' ' GLY . 46.9 m -100.24 155.83 17.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.018 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 8.3 t -73.14 -4.03 30.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.353 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 80.3 m -128.41 -37.75 1.8 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.169 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 131.37 20.82 1.09 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.43 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.584 ' HB2' ' SG ' ' A' 1020 ' ' CYS . 42.9 m-70 -73.57 -173.43 1.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.792 0.33 . . . . 0.0 110.858 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.595 ' HE ' ' H ' ' A' ' 996' ' ' LEU . 6.2 tpm_? -93.84 148.32 22.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -175.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.595 ' H ' ' HE ' ' A' ' 995' ' ' ARG . 1.3 tm? -95.53 114.58 26.35 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.465 177.528 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.646 ' HB ' ' HB ' ' A' 1019 ' ' ILE . 3.9 mp -82.39 87.25 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.578 177.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 149.26 -108.97 0.42 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.405 -176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . 0.49 ' NE2' ' HB3' ' A' 1001 ' ' SER . 19.2 t-160 -144.6 117.75 8.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.77 0.319 . . . . 0.0 110.798 179.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 80.4 p -82.07 34.57 0.41 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.088 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . 0.49 ' HB3' ' NE2' ' A' ' 999' ' ' HIS . 43.7 t -157.28 158.64 36.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.713 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -137.48 164.36 28.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.001 0.429 . . . . 0.0 111.483 -175.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' 1005 ' ' ILE . 41.1 tt0 -153.43 104.64 2.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.54 175.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 43.2 t -57.24 98.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' 1003 ' ' GLU . 40.7 pt -123.04 139.51 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.302 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.624 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.2 mp -88.39 158.71 18.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.87 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 78.5 p -153.5 17.29 0.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 95.36 -24.17 30.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.532 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -110.61 62.15 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.747 0.308 . . . . 0.0 110.851 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 30.3 m 63.69 133.59 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.413 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.624 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -61.73 115.23 3.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.105 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 16.4 p80 -127.53 155.24 44.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.837 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.464 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 55.4 m95 -70.69 142.82 51.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.711 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 78.9 p -74.79 4.11 6.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.344 -173.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . 0.48 HG21 ' CE1' ' A' ' 988' ' ' TYR . 41.4 p -59.9 137.11 58.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.968 0.413 . . . . 0.0 111.616 -179.653 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.508 ' N ' ' HD2' ' A' 1016 ' ' LYS . 0.5 OUTLIER -85.04 155.54 60.78 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.193 167.069 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -43.05 101.46 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.73 2.286 . . . . 0.0 112.67 -176.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -81.89 146.19 14.54 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.74 2.293 . . . . 0.0 112.521 -175.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.646 ' HB ' ' HB ' ' A' ' 997' ' ' ILE . 13.8 mt -137.61 164.6 28.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.757 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 994' ' ' HIS . 46.7 t -124.16 117.8 25.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.757 179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . 0.54 ' O ' ' HB3' ' A' ' 994' ' ' HIS . 25.3 tp60 -128.6 121.98 29.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.965 -175.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.583 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 36.0 ttm180 -56.59 116.54 3.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.015 -179.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 12.7 pt -77.07 136.65 65.78 Favored Pre-proline 0 N--CA 1.452 -0.335 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.212 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo . . . . . 0 C--O 1.249 1.07 0 C-N-CA 122.587 2.191 . . . . 0.0 112.272 179.638 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 N--CA 1.485 1.317 0 CA-C-O 120.811 0.338 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -122.07 -16.96 7.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.057 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -156.23 105.46 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.982 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -85.22 122.09 28.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.062 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.59 ' HD2' ' HB ' ' A' ' 982' ' ' VAL . 16.4 tppt? -165.07 166.3 19.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.793 -177.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . 0.555 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 51.0 m 65.67 107.67 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.221 177.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 98.4 m -66.46 174.3 2.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.762 177.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -124.91 38.48 4.19 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.064 -175.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . 0.606 HG22 HG21 ' A' ' 980' ' ' ILE . 19.1 p 61.16 135.88 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.234 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.875 174.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.449 ' HD3' ' NE1' ' A' 1013 ' ' TRP . 93.1 Cg_endo -80.0 134.35 10.53 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 177.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.71 141.4 64.77 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.616 2.211 . . . . 0.0 112.201 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 969' ' ' PRO . 2.9 p30 -55.83 107.77 0.99 Allowed Pre-proline 0 CA--C 1.53 0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.271 -177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 968' ' ' ASP . 3.1 Cg_exo -81.55 121.45 3.78 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.047 2.498 . . . . 0.0 112.37 -176.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.824 HG22 ' H ' ' A' ' 971' ' ' ASN . 2.8 p 44.31 -164.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.695 175.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.824 ' H ' HG22 ' A' ' 970' ' ' VAL . 2.7 m-20 -48.11 -35.25 11.07 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.779 0.323 . . . . 0.0 111.225 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.656 ' H ' HG13 ' A' ' 970' ' ' VAL . . . -64.84 171.47 22.09 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.592 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . 0.414 ' N ' ' SD ' ' A' ' 973' ' ' MET . 1.5 pmm? -143.68 143.92 31.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.0 p -88.19 134.88 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.097 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -94.79 118.01 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 83.9 t -90.88 114.59 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 175.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.566 HG22 HG23 ' A' ' 978' ' ' THR . 56.6 mt -61.23 -70.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.24 -178.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . 0.566 HG23 HG22 ' A' ' 977' ' ' ILE . 41.2 p -143.1 -54.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.21 -178.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -128.44 -164.59 1.4 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.576 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.606 HG21 HG22 ' A' ' 965' ' ' THR . 2.2 pt -150.35 34.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.096 -175.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . 0.555 ' HA ' ' HA ' ' A' ' 962' ' ' SER . 75.6 mt-30 -96.53 -173.85 2.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.812 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . 0.59 ' HB ' ' HD2' ' A' ' 961' ' ' LYS . 7.3 p -60.18 139.76 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.034 178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 93.04 -14.82 64.33 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.54 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 54.9 m -80.04 134.2 36.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.864 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' 1002 ' ' ALA . 79.5 ttt180 -133.7 87.33 2.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.963 -178.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.509 HG22 HG13 ' A' ' 977' ' ' ILE . 40.5 pt -82.74 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 177.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' 1001 ' ' SER . 68.0 p -128.15 142.89 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.36 -174.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.572 ' HE1' ' HB2' ' A' 1002 ' ' ALA . 87.3 m-85 -89.98 145.54 25.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.776 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 28.6 t -142.1 172.91 12.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.794 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 36.0 t -117.1 163.5 16.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.795 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 8.0 t -71.87 -6.8 44.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.462 -172.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 85.5 m -134.55 -33.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 126.16 13.37 3.26 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.263 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.679 ' HB3' ' H ' ' A' 1022 ' ' ARG . 73.8 m-70 -62.1 148.0 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.876 -179.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -62.29 146.79 50.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.083 -175.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.493 HD23 ' H ' ' A' ' 999' ' ' HIS . 6.7 tp -87.82 121.19 29.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.913 -177.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.842 HD13 ' HB ' ' A' 1019 ' ' ILE . 3.8 mp -75.22 80.99 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.061 0.458 . . . . 0.0 110.247 170.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 166.39 -104.45 0.22 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.425 -173.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . 0.493 ' H ' HD23 ' A' ' 996' ' ' LEU . 0.8 OUTLIER -134.7 -91.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.637 0.256 . . . . 0.0 111.129 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 47.8 t 177.35 -35.81 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.866 -178.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . 0.502 ' HB2' HG22 ' A' ' 987' ' ' THR . 44.0 t -150.93 158.05 43.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -175.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -119.52 163.53 17.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.339 -176.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -135.55 124.11 23.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.704 175.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 40.8 t -61.18 106.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.5 pt -126.09 144.91 34.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.188 -179.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' 1011 ' ' ALA . 70.5 mt -78.61 126.18 30.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 176.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 50.7 m -118.55 20.98 12.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 150.23 -111.51 0.51 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.432 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -96.61 -1.29 47.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 110.881 178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 77.1 m -150.84 137.3 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.576 ' HB2' HD23 ' A' 1006 ' ' LEU . . . -80.55 126.08 30.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.152 179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -118.96 168.45 10.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.792 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.658 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 84.7 m95 -87.22 139.89 30.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 80.5 p -87.81 44.42 1.19 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.32 -171.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 11.6 p -118.14 131.71 56.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.894 0.378 . . . . 0.0 111.567 175.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.44 ' HB3' ' HD2' ' A' 1017 ' ' PRO . 79.5 mttt -60.28 158.39 28.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.494 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . 0.44 ' HD2' ' HB3' ' A' 1016 ' ' LYS . 7.6 Cg_endo -49.58 104.28 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 122.813 2.342 . . . . 0.0 112.318 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.49 ' HB2' HD11 ' A' ' 996' ' ' LEU . 78.9 Cg_endo -79.06 139.05 14.86 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.676 2.251 . . . . 0.0 112.488 -175.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.842 ' HB ' HD13 ' A' ' 997' ' ' ILE . 13.1 mt -141.51 166.88 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.748 -177.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.527 ' N ' HG22 ' A' 1019 ' ' ILE . 72.6 m -100.78 103.81 15.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.789 175.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . 0.521 ' HB2' HD11 ' A' ' 997' ' ' ILE . 53.6 tt0 -65.39 -20.04 66.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.059 -176.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.679 ' H ' ' HB3' ' A' ' 994' ' ' HIS . 55.5 ttp180 64.15 113.58 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.018 -177.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 68.9 mt -100.71 116.83 63.72 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.049 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo . . . . . 0 C--O 1.249 1.072 0 C-N-CA 122.541 2.161 . . . . 0.0 112.232 179.742 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.723 0.297 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 61.98 107.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.255 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -65.27 -12.0 47.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.032 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . 63.74 -82.9 0.02 OUTLIER 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.402 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.886 ' HG2' HD21 ' A' 1006 ' ' LEU . 58.8 tptt -149.85 152.06 34.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.827 0.346 . . . . 0.0 110.942 -178.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 79.7 p -135.47 131.39 36.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.822 179.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 75.5 m -75.88 146.48 39.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.076 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -140.0 99.47 3.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.515 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . 0.648 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 87.3 m -158.2 -55.89 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.992 -171.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.648 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 71.2 Cg_exo -50.36 104.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.878 2.386 . . . . 0.0 112.824 -168.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -88.7 -163.37 0.15 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.943 2.429 . . . . 0.0 112.205 176.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . 0.412 ' HA ' ' HD2' ' A' ' 969' ' ' PRO . 15.5 t70 -96.82 102.99 13.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.571 173.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 968' ' ' ASP . 18.1 Cg_endo -59.72 138.27 82.06 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.656 2.238 . . . . 0.0 112.271 -175.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.06 132.87 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.032 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.415 ' C ' HG23 ' A' ' 991' ' ' THR . 79.5 m-20 53.03 59.3 4.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.748 -178.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 168.3 -156.12 27.36 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 -179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.3 ptm -164.07 142.34 7.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 110.954 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.2 p -88.02 146.3 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.958 177.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -110.34 102.65 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.151 -176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.0 110.58 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.713 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.435 HG12 ' HA ' ' A' ' 986' ' ' ILE . 49.6 mm -60.23 -56.83 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.234 -177.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 45.4 m -157.09 -33.7 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.991 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -148.63 -168.65 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.596 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 2.6 pt -146.34 37.99 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -108.99 -175.99 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.78 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 44.4 t -60.96 137.43 23.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.027 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 88.95 -10.13 73.96 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.446 -178.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 56.9 m -94.95 132.53 39.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.812 0.339 . . . . 0.0 110.825 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' 1002 ' ' ALA . 56.9 ttp180 -121.46 105.77 10.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.047 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.435 ' HA ' HG12 ' A' ' 977' ' ' ILE . 48.9 pt -89.74 177.28 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.924 175.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 71.7 p -136.23 131.55 34.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.313 -178.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.443 ' HE2' ' HB2' ' A' 1002 ' ' ALA . 89.1 m-85 -96.22 152.62 18.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.709 177.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 90.7 p -152.25 144.82 24.17 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 48.1 t -108.05 168.42 9.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.629 176.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.415 HG23 ' C ' ' A' ' 971' ' ' ASN . 11.2 p -58.86 158.4 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.36 -178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 62.7 m -62.14 135.55 57.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.095 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 96.99 6.87 57.77 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.334 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.478 ' NE2' ' HD3' ' A' 1022 ' ' ARG . 25.1 m80 -127.2 171.46 11.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 110.767 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -135.66 125.89 26.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.789 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' 1019 ' ' ILE . 36.4 tp -67.74 124.17 22.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -177.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' A' 1021 ' ' GLN . 4.0 mp -81.1 78.37 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 175.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -178.92 -126.22 0.99 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.512 -176.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.23 3.62 3.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.747 0.308 . . . . 0.0 111.143 -177.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . 0.501 ' HA ' HD23 ' A' ' 996' ' ' LEU . 34.3 t 58.67 20.8 8.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.009 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 68.1 m -157.85 -176.28 5.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.959 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 985' ' ' ARG . . . -170.21 149.16 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . 0.463 ' HG2' HG23 ' A' 1005 ' ' ILE . 40.7 tt0 -129.09 120.28 25.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.975 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 41.2 t -71.34 102.06 2.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.959 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . 0.463 HG23 ' HG2' ' A' 1003 ' ' GLU . 42.9 pt -127.62 153.86 37.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.417 -178.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.886 HD21 ' HG2' ' A' ' 961' ' ' LYS . 39.9 mt -94.46 161.21 14.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.953 175.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 84.8 p -147.87 -27.42 0.35 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.982 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -154.06 -86.0 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.586 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -130.75 -9.64 3.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.816 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 63.4 m -132.29 115.68 15.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.067 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -65.37 130.66 44.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.146 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 16.6 p80 -139.71 145.51 38.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.737 178.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.598 ' HE1' ' HD3' ' A' ' 966' ' ' PRO . 69.6 m95 -67.94 142.63 55.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 -178.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 46.8 t -73.22 -7.76 52.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.356 -172.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 80.8 p -106.78 150.77 25.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.932 0.396 . . . . 0.0 111.271 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.459 ' HZ3' ' N ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -72.12 154.59 92.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.912 179.56 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.57 146.52 19.61 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.541 2.16 . . . . 0.0 112.306 177.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.35 138.31 29.9 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.631 2.221 . . . . 0.0 112.346 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.523 ' O ' HD12 ' A' ' 996' ' ' LEU . 11.3 mt -136.89 164.1 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.691 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.489 ' N ' HG22 ' A' 1019 ' ' ILE . 83.9 m -124.92 125.34 43.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.729 178.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . 0.593 ' HB3' HD11 ' A' ' 997' ' ' ILE . 20.0 pt20 -90.74 -25.54 19.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.478 ' HD3' ' NE2' ' A' ' 994' ' ' HIS . 32.1 tpt180 55.51 87.63 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.876 -179.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 24.0 pt -69.34 144.77 95.12 Favored Pre-proline 0 N--CA 1.452 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.272 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.534 2.156 . . . . 0.0 112.295 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.787 0.327 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -107.77 166.18 10.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -148.66 119.48 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.659 179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -158.4 21.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.032 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.563 ' HD2' ' N ' ' A' ' 961' ' ' LYS . 0.0 OUTLIER -148.75 -166.4 2.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.442 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 47.6 t 60.61 70.82 0.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.898 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 74.6 m -59.12 160.56 6.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.026 178.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -90.93 110.0 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.685 177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . 0.474 ' HA ' ' HD3' ' A' ' 966' ' ' PRO . 82.8 p -52.57 135.07 44.29 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.208 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.553 ' HB2' ' HE2' ' A' ' 988' ' ' TYR . 22.8 Cg_exo -64.02 130.73 28.3 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.599 2.199 . . . . 0.0 112.197 -176.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -64.2 127.64 19.71 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.525 2.15 . . . . 0.0 112.139 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -74.42 112.25 16.41 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.033 -177.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -65.23 -162.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.681 2.254 . . . . 0.0 112.178 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 10.3 p -52.98 129.25 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.444 ' HB3' ' OG1' ' A' ' 991' ' ' THR . 2.0 m-20 45.65 46.79 11.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.023 -178.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -93.51 159.44 24.05 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -177.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 49.0 tpp -163.18 98.99 0.94 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.937 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 11.3 p -95.67 150.75 4.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 51.6 m80 -129.36 138.81 51.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.934 -177.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . 0.61 ' HA ' HG22 ' A' ' 986' ' ' ILE . 7.1 p -91.66 127.65 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 177.128 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.487 HG12 ' HA ' ' A' ' 986' ' ' ILE . 46.6 mm -92.64 -39.34 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.26 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 49.3 p -138.62 -66.94 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.284 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -148.31 -168.89 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.757 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.444 HG22 ' O ' ' A' ' 980' ' ' ILE . 31.4 mm -124.27 -4.19 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.632 178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.87 -171.13 1.02 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.849 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.43 138.53 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.085 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 85.19 7.22 83.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.436 -178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 88.7 p -85.76 144.7 27.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.781 0.324 . . . . 0.0 110.845 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' 1002 ' ' ALA . 40.0 ttm180 -132.5 90.9 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.969 -178.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.61 HG22 ' HA ' ' A' ' 976' ' ' VAL . 33.9 pt -82.13 178.27 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . 0.507 ' HA ' ' HA ' ' A' 1001 ' ' SER . 74.1 p -135.43 128.88 32.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.28 -177.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.553 ' HE2' ' HB2' ' A' ' 966' ' ' PRO . 0.2 OUTLIER -100.31 138.92 36.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.678 176.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.6 m -146.69 -11.35 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.417 -174.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 83.6 m 57.57 -167.14 0.13 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.922 -176.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.444 ' OG1' ' HB3' ' A' ' 971' ' ' ASN . 7.3 p -66.0 161.77 20.78 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.29 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 80.7 m -71.12 108.52 4.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 119.5 7.26 9.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.485 -179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -124.82 134.51 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.789 0.328 . . . . 0.0 110.88 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.53 ' HE ' ' H ' ' A' ' 996' ' ' LEU . 6.9 tpm_? -91.99 126.03 36.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -178.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.823 HD11 ' HB2' ' A' 1018 ' ' PRO . 8.5 tp -71.77 133.68 45.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.787 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.85 ' HB ' HD13 ' A' 1019 ' ' ILE . 22.9 mm -96.02 58.28 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 121.034 0.445 . . . . 0.0 110.725 176.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -151.96 -121.93 0.96 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.543 -178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -126.8 -0.17 6.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . 0.501 ' H ' HD23 ' A' ' 996' ' ' LEU . 33.7 t 58.34 30.56 19.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.85 -179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . 0.507 ' HA ' ' HA ' ' A' ' 987' ' ' THR . 30.4 t -174.29 -177.39 1.26 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.694 -176.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.509 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -166.42 167.37 15.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.04 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' 1013 ' ' TRP . 10.5 tp10 -148.19 134.0 19.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.983 -178.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 16.7 m -76.72 100.17 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.174 178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 32.3 pt -112.09 169.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.429 177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 69.2 mt -126.62 130.82 51.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.942 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 85.1 p -148.84 11.59 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -155.25 -92.88 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 7.7 t30 -145.7 -9.9 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.862 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 4.9 t -133.48 131.81 40.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.196 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . . . . . . . . . . . -68.05 113.54 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.0 p80 -115.52 -177.36 3.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.642 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.509 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 82.2 m95 -97.65 136.7 37.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 47.4 t -71.6 -8.32 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.209 -173.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . 0.465 HG21 ' O ' ' A' 1001 ' ' SER . 70.0 p -100.56 132.76 45.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.239 -177.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' 1016 ' ' LYS . 0.1 OUTLIER -58.87 159.11 14.14 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.969 178.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 9.9 Cg_endo -51.29 113.08 0.96 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.777 2.318 . . . . 0.0 112.212 -179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.823 ' HB2' HD11 ' A' ' 996' ' ' LEU . 43.0 Cg_endo -67.96 160.93 46.33 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.636 2.224 . . . . 0.0 112.5 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.85 HD13 ' HB ' ' A' ' 997' ' ' ILE . 2.0 mp -129.91 162.61 37.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.747 -178.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.488 ' N ' HG22 ' A' 1019 ' ' ILE . 65.2 m -118.91 87.44 2.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.779 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -80.36 139.76 36.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.934 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.704 ' H ' ' HD2' ' A' 1022 ' ' ARG . 0.0 OUTLIER -101.14 81.31 2.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.745 175.264 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . 0.505 ' O ' HD12 ' A' 1023 ' ' ILE . 1.6 pp -57.02 152.6 27.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.375 -176.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.444 2.096 . . . . 0.0 112.334 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.752 0.31 . . . . 0.0 110.664 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 56.72 84.39 0.09 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 60.51 178.46 0.1 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.066 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -111.02 88.17 2.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.007 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.741 ' HE2' ' HB3' ' A' ' 981' ' ' GLN . 82.6 tttt -159.38 170.44 21.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.681 -177.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . 0.579 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 48.1 t 66.19 117.3 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.006 0.431 . . . . 0.0 111.077 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 73.6 m -76.11 167.86 21.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.142 -177.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -76.47 -167.85 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.49 172.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 69.8 p -127.11 129.94 23.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.132 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.457 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 57.2 Cg_endo -71.02 154.77 62.59 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.602 2.201 . . . . 0.0 112.34 -178.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -65.41 141.25 67.13 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.62 2.213 . . . . 0.0 112.229 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -59.09 116.02 14.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.049 -177.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . 0.467 ' HG3' ' HG2' ' A' 1018 ' ' PRO . 33.2 Cg_exo -58.07 155.82 32.22 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.664 2.243 . . . . 0.0 112.243 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.7 p -60.88 128.94 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.496 ' O ' HG23 ' A' ' 991' ' ' THR . 72.0 m-20 52.87 31.79 11.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -178.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.91 166.88 28.34 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.61 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.1 ptm -143.22 129.76 20.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 8.7 p -82.14 142.96 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.011 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -102.2 86.13 2.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.087 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 3.8 p -64.67 122.96 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 175.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.64 HG12 HG22 ' A' ' 986' ' ' ILE . 48.2 mm -56.25 -81.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.153 -175.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 46.5 p -147.65 -57.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.042 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 31.0 t0 -132.25 -3.98 3.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.558 -178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 40.0 pt 39.9 49.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.744 173.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . 0.741 ' HB3' ' HE2' ' A' ' 961' ' ' LYS . 51.5 mt-30 -70.64 -169.67 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.724 176.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' A' ' 961' ' ' LYS . 47.4 t -65.48 130.69 30.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.038 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 92.17 -12.16 70.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.463 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 54.9 m -66.96 156.99 34.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' 1002 ' ' ALA . 40.2 ttm180 -139.6 115.58 10.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.64 HG22 HG12 ' A' ' 977' ' ' ILE . 38.5 pt -102.55 176.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 175.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 67.5 p -135.13 140.33 45.34 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.198 -177.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.457 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 77.2 m-85 -102.49 146.15 28.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 177.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 54.0 m -154.14 135.79 14.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.919 0.39 . . . . 0.0 111.203 -178.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 14.9 t -88.02 175.32 7.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.376 174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.496 HG23 ' O ' ' A' ' 971' ' ' ASN . 3.8 p -58.56 -85.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.942 0.401 . . . . 0.0 111.416 -178.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . 0.513 HG22 ' N ' ' A' ' 993' ' ' GLY . 5.8 m -77.89 168.93 19.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.625 177.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . 0.513 ' N ' HG22 ' A' ' 992' ' ' THR . . . -53.87 96.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.466 178.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.625 ' ND1' ' HA ' ' A' 1022 ' ' ARG . 28.9 m-70 -133.72 160.62 37.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.852 -176.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.1 140.43 29.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.976 -176.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' 1018 ' ' PRO . 20.7 tp -91.62 129.54 37.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.8 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.718 HD13 ' HB ' ' A' 1019 ' ' ILE . 4.0 mp -82.31 85.91 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.975 0.417 . . . . 0.0 110.686 175.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . 146.48 -108.62 0.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.362 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -154.76 128.25 8.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.702 0.287 . . . . 0.0 110.739 178.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 79.2 p -79.86 41.63 0.51 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.279 -177.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 85.0 p -175.42 151.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' A' ' 985' ' ' ARG . . . -146.78 168.49 21.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.089 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -142.5 135.39 28.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.759 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 1.7 m -65.73 103.88 0.96 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.08 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 31.5 pt -121.41 125.85 74.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.184 177.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' 1006 ' ' LEU . 4.5 mp -83.25 130.75 35.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.877 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.0 p -100.13 16.75 23.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 140.19 -101.33 0.3 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 57.3 t30 -96.53 -4.52 41.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.783 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 6.9 t -128.78 155.09 45.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.48 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -124.89 133.32 53.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 14.2 p80 -145.77 -176.73 5.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . . . . . . . . . 84.2 m95 -92.99 153.84 18.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -177.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 33.6 t -93.81 33.71 1.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.988 -177.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 9.8 t -132.99 140.9 48.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.33 179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.463 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.0 OUTLIER -74.96 159.63 82.46 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.73 176.212 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 7.2 Cg_endo -49.45 107.87 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.783 2.322 . . . . 0.0 112.186 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.749 ' HB2' HD11 ' A' ' 996' ' ' LEU . 58.5 Cg_endo -71.94 146.59 47.74 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.717 2.278 . . . . 0.0 112.55 -174.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.718 ' HB ' HD13 ' A' ' 997' ' ' ILE . 10.9 mt -132.02 164.57 34.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.642 178.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.486 ' N ' HG22 ' A' 1019 ' ' ILE . 48.6 t -105.35 122.25 45.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.746 179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -46.56 16.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.677 -174.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.625 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 58.8 ttp180 65.12 112.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.179 -178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 3.4 pt -107.04 107.16 60.07 Favored Pre-proline 0 N--CA 1.451 -0.377 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.189 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo . . . . . 0 C--O 1.25 1.079 0 C-N-CA 122.541 2.16 . . . . 0.0 112.229 -179.688 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.718 0.294 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -151.31 171.02 18.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.054 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.72 18.92 3.87 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.044 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -103.97 -168.82 1.55 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.049 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.502 ' HB2' ' NZ ' ' A' ' 961' ' ' LYS . 4.7 ttmp? 64.64 166.76 0.16 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . 0.467 ' N ' ' HG2' ' A' ' 961' ' ' LYS . 49.8 m 63.14 94.68 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.047 179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 88.5 m -74.88 169.85 17.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.961 177.183 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' A' ' 964' ' ' LYS . 0.3 OUTLIER -78.89 110.84 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.9 -179.521 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 61.1 p -59.41 135.79 88.8 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.13 112.76 1.32 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.64 2.227 . . . . 0.0 112.227 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -73.92 71.85 4.07 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.582 2.188 . . . . 0.0 112.391 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.4 t70 51.65 91.83 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.245 -178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -61.51 -154.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.838 2.359 . . . . 0.0 112.397 176.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.821 HG22 ' H ' ' A' ' 971' ' ' ASN . 3.1 p -55.56 -174.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.868 175.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.821 ' H ' HG22 ' A' ' 970' ' ' VAL . 22.2 m-80 -42.38 -32.48 0.53 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 111.357 -176.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.633 ' H ' HG13 ' A' ' 970' ' ' VAL . . . -70.13 111.11 3.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.581 176.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.86 146.32 54.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.819 0.342 . . . . 0.0 110.972 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.26 149.68 4.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.045 179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -126.02 150.96 47.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.053 -177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 95.1 t -111.26 115.81 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.814 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.639 HG22 HG23 ' A' ' 978' ' ' THR . 50.4 mm -65.31 -51.28 66.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.28 -177.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . 0.639 HG23 HG22 ' A' ' 977' ' ' ILE . 54.1 p -140.49 -65.72 0.45 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.305 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -144.79 -173.34 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.964 -177.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.475 HG23 ' HZ2' ' A' 1013 ' ' TRP . 27.6 mm -123.87 65.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.697 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -122.82 165.17 17.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.703 -177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . 0.429 ' HA ' ' HB3' ' A' 1004 ' ' CYS . 4.6 p -64.05 120.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.964 177.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 106.88 -11.4 41.35 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.465 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 52.4 m -93.5 142.92 26.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.818 0.342 . . . . 0.0 110.757 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' 1002 ' ' ALA . 60.7 ttp180 -119.1 121.62 40.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.995 -177.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.504 ' HA ' HG12 ' A' ' 977' ' ' ILE . 42.2 pt -94.29 175.75 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 175.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 76.1 p -133.99 133.04 40.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 111.348 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -95.94 152.24 18.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.597 176.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 49.7 m -147.93 133.51 18.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.057 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 994' ' ' HIS . 95.3 m -84.73 172.21 11.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.021 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 22.8 p -62.16 -76.61 0.06 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.51 -176.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 28.2 m -120.1 74.65 1.05 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 56.66 86.32 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.862 176.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.545 ' HB2' ' SG ' ' A' ' 990' ' ' CYS . 15.9 m-70 -127.6 136.03 51.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.728 0.299 . . . . 0.0 110.777 176.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -71.0 113.99 8.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -178.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . . . . . . . . . 75.5 mt -67.23 131.04 44.98 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.003 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.628 HD12 ' HB ' ' A' 1019 ' ' ILE . 1.7 mt -89.52 34.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.393 0.616 . . . . 0.0 110.553 177.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -160.7 -110.05 0.26 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.375 -0.83 . . . . 0.0 112.438 -179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . 0.509 ' HB2' HG21 ' A' 1015 ' ' THR . 1.5 t-80 -137.52 141.71 41.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 34.3 t -87.17 28.16 0.96 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.957 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 80.9 p -168.61 169.9 9.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.64 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -163.35 155.4 17.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.173 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -131.67 133.94 45.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.989 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 52.5 t -64.24 96.78 0.16 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.827 178.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 33.9 pt -99.73 -178.41 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.413 -176.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 7.2 mt 54.03 -171.28 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.388 -175.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 58.4 m -172.87 -178.71 1.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.787 -170.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 63.34 -126.08 35.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.681 176.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -74.17 -6.28 46.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 0.0 110.916 -178.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . 0.474 HG22 ' H ' ' A' 1011 ' ' ALA . 3.9 m -125.24 162.4 24.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.474 ' H ' HG22 ' A' 1010 ' ' THR . . . 173.5 118.05 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.69 -170.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 3.2 p80 -167.38 171.7 10.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.855 -175.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.64 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 80.9 m95 -92.03 145.27 24.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.778 178.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 52.2 m -52.85 -70.26 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 -173.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . 0.509 HG21 ' HB2' ' A' ' 999' ' ' HIS . 79.0 p -82.0 138.97 34.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.475 ' HD3' ' N ' ' A' 1016 ' ' LYS . 0.0 OUTLIER -57.56 155.64 19.76 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.917 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -47.07 107.43 0.13 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.74 2.293 . . . . 0.0 112.47 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.69 156.64 26.56 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.65 2.234 . . . . 0.0 112.42 -176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.628 ' HB ' HD12 ' A' ' 997' ' ' ILE . 10.4 mt -127.57 162.86 32.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.671 178.178 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.457 ' N ' HG22 ' A' 1019 ' ' ILE . 70.0 m -107.6 107.86 18.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.964 -177.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -68.83 -24.08 64.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.988 -178.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.543 ' HA ' ' ND1' ' A' ' 994' ' ' HIS . 57.3 ttp180 63.86 115.33 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.072 -178.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . 0.662 ' HB ' ' HD3' ' A' 1024 ' ' PRO . 64.1 mt -95.18 -51.65 0.24 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.533 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . 0.662 ' HD3' ' HB ' ' A' 1023 ' ' ILE . 48.9 Cg_exo . . . . . 0 C--O 1.248 1.024 0 C-N-CA 122.325 2.016 . . . . 0.0 112.315 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.807 0.337 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -123.66 44.45 2.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -136.44 134.14 37.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -141.27 119.89 12.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.781 ' HD2' ' HB ' ' A' ' 982' ' ' VAL . 5.0 tppp? 55.71 72.97 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.886 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 62.5 m -159.03 108.43 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 1.7 p -81.58 152.98 26.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -166.33 78.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.365 -175.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . 0.813 ' H ' ' HD2' ' A' ' 966' ' ' PRO . 91.0 m -112.67 -55.14 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 115.899 -0.591 . . . . 0.0 112.009 -170.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.813 ' HD2' ' H ' ' A' ' 965' ' ' THR . 22.2 Cg_endo -61.11 106.99 0.42 Allowed 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 122.674 2.249 . . . . 0.0 112.533 -171.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 965' ' ' THR . 73.0 Cg_endo -89.82 55.7 1.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.944 2.43 . . . . 0.0 112.235 178.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 8.8 t70 55.34 94.82 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.8 -172.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -49.41 144.46 18.11 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.815 2.343 . . . . 0.0 112.598 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.6 p -57.41 128.78 18.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.022 178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.408 ' O ' HG22 ' A' ' 991' ' ' THR . 78.2 m-20 52.81 78.82 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.722 -176.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . 140.41 -159.13 26.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.524 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 24.6 ptm -164.05 148.75 10.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.824 0.345 . . . . 0.0 111.026 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . . . . . . . . . 7.1 p -95.8 145.72 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.016 177.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -117.94 123.17 45.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.001 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.74 139.75 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 49.6 mm -57.61 -73.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.131 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 60.8 m -140.74 -41.03 0.4 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 178.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -139.18 176.35 8.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.651 176.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . . . . . . . . . 30.6 mt -125.0 68.38 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.018 0.437 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -125.3 -177.76 3.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.762 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . 0.781 ' HB ' ' HD2' ' A' ' 961' ' ' LYS . 7.1 p -58.72 140.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.088 178.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 90.71 -17.69 53.61 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 50.2 m -73.12 151.64 41.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.741 0.305 . . . . 0.0 110.867 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' 1002 ' ' ALA . 40.3 ttm180 -138.67 88.9 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -178.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . . . . . . . . . 34.9 pt -77.57 171.36 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.965 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 73.4 p -132.4 140.24 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.323 -177.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -101.94 143.33 31.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.687 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 51.6 m -119.6 -36.98 3.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.351 -174.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 42.7 t 62.24 163.92 0.09 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.811 -174.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.547 HG23 ' ND1' ' A' ' 994' ' ' HIS . 4.4 t -58.12 144.32 40.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.054 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 5.7 t -56.11 137.46 51.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.274 -176.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 89.51 15.21 58.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.391 -178.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.547 ' ND1' HG23 ' A' ' 991' ' ' THR . 51.8 m80 -136.66 118.67 15.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.749 0.309 . . . . 0.0 111.0 -178.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -94.69 114.15 26.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.701 176.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 996' ' ' LEU . 3.0 pp -57.51 154.45 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -176.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 40.5 mm -127.95 90.44 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.054 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . 0.569 ' HA3' ' HD3' ' A' 1016 ' ' LYS . . . 137.88 -46.1 1.02 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.89 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . 0.492 ' CD2' ' HA ' ' A' 1018 ' ' PRO . 3.8 m-70 -68.6 -77.81 0.07 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 111.594 0.22 . . . . 0.0 111.594 -172.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . 0.43 ' H ' HD13 ' A' ' 996' ' ' LEU . 96.3 p 51.08 54.61 10.91 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.429 -174.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . 0.409 ' HB3' ' O ' ' A' 1000 ' ' SER . 43.7 t 67.52 158.34 0.14 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.987 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.487 ' HB2' HG23 ' A' 1015 ' ' THR . . . -142.24 -179.16 6.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.264 -175.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -139.96 122.4 16.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.741 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 42.6 t -60.26 99.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 40.3 pt -122.18 132.82 70.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.617 ' HG ' ' HB2' ' A' 1011 ' ' ALA . 4.5 mp -84.07 143.47 29.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.2 p -140.3 23.07 2.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 162.17 -124.06 1.26 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 58.1 t30 -92.39 -5.25 52.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.786 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 58.2 m -142.02 141.84 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.044 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.617 ' HB2' ' HG ' ' A' 1006 ' ' LEU . . . -87.88 131.52 34.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -124.47 159.39 30.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.488 ' CD1' ' HB ' ' A' ' 965' ' ' THR . 62.5 m95 -88.83 155.05 19.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.811 -178.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.6 m -82.2 37.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.291 -175.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . 0.487 HG23 ' HB2' ' A' 1002 ' ' ALA . 43.2 p -138.81 128.79 25.22 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.917 0.389 . . . . 0.0 111.412 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.596 ' HB2' ' HD2' ' A' 1017 ' ' PRO . 0.0 OUTLIER -61.38 165.73 6.47 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.733 175.8 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . 0.596 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 70.6 Cg_exo -38.97 134.96 0.89 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.774 2.316 . . . . 0.0 112.757 178.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.492 ' HA ' ' CD2' ' A' ' 999' ' ' HIS . 31.9 Cg_exo -59.88 142.06 97.84 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.776 2.317 . . . . 0.0 112.792 -171.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' 1020 ' ' CYS . 12.0 mt -135.8 163.71 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.571 173.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.521 ' HB3' ' HB3' ' A' ' 994' ' ' HIS . 94.6 m -146.45 133.54 20.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.951 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -113.03 121.8 45.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -176.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -60.6 127.41 31.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.84 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 63.6 mt -88.25 112.81 52.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.034 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.499 2.133 . . . . 0.0 112.318 179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.85 0.357 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -144.56 -63.9 0.36 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.051 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -156.43 96.7 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -152.2 23.96 0.64 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.072 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.65 ' HA ' ' HA ' ' A' ' 981' ' ' GLN . 22.0 pttp -98.88 137.16 37.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.025 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 80.0 p -171.68 27.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . 0.588 ' HB2' HG22 ' A' ' 980' ' ' ILE . 55.5 m -94.92 133.57 38.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.841 -178.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -84.1 99.54 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.846 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 965' ' ' THR . 0.0 OUTLIER -57.07 149.49 45.4 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.659 -176.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.613 ' HG2' HG11 ' A' ' 974' ' ' VAL . 72.5 Cg_endo -75.45 142.72 26.86 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.976 2.451 . . . . 0.0 112.363 179.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.93 145.22 35.63 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.583 2.189 . . . . 0.0 112.276 177.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -70.31 119.17 70.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.956 -178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . 0.521 ' HG3' ' HE1' ' A' ' 988' ' ' TYR . 71.6 Cg_endo -76.85 -166.25 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.597 2.198 . . . . 0.0 112.453 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 11.5 p -72.27 136.7 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.165 -179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.459 ' HB3' ' CG2' ' A' ' 991' ' ' THR . 65.9 m-20 54.12 20.69 2.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.081 177.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 990' ' ' CYS . . . -135.72 158.44 23.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.749 -174.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.8 ptm -155.47 128.67 8.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 110.71 177.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . 0.613 HG11 ' HG2' ' A' ' 966' ' ' PRO . 9.9 m -71.76 175.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.373 -177.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . 0.51 ' HB3' ' OG1' ' A' ' 987' ' ' THR . 29.1 t60 -147.68 92.77 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.816 -178.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . 0.59 ' HA ' HG22 ' A' ' 986' ' ' ILE . 7.7 m -72.05 135.29 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 178.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 50.7 mm -51.45 -71.78 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.069 -178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 59.4 m -146.49 -33.75 0.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -141.71 -179.54 6.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.689 178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.588 HG22 ' HB2' ' A' ' 963' ' ' CYS . 26.6 mt -119.77 63.99 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.05 0.452 . . . . 0.0 110.787 179.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . 0.65 ' HA ' ' HA ' ' A' ' 961' ' ' LYS . 4.0 pt20 -117.82 151.3 37.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.853 -178.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 6.0 p -59.14 128.05 19.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 116.56 -20.04 12.4 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.428 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 81.1 p -82.07 -179.46 7.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 0.0 110.807 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -147.93 86.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.992 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.59 HG22 ' HA ' ' A' ' 976' ' ' VAL . 44.6 pt -70.65 172.55 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 176.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . 0.51 ' OG1' ' HB3' ' A' ' 975' ' ' HIS . 82.4 p -123.72 172.23 8.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.913 0.387 . . . . 0.0 111.273 -177.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.521 ' HE1' ' HG3' ' A' ' 969' ' ' PRO . 0.7 OUTLIER -140.11 92.99 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.644 -175.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 79.0 p -114.29 130.39 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.2 -173.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . 0.429 ' HA ' ' HA2' ' A' ' 972' ' ' GLY . 77.1 m -88.51 -169.89 2.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.667 173.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.497 HG23 ' ND1' ' A' ' 994' ' ' HIS . 3.3 t -72.77 149.8 43.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.022 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 62.1 m -58.95 106.82 0.45 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 -176.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . 0.414 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . 125.51 6.65 6.06 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.438 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.497 ' ND1' HG23 ' A' ' 991' ' ' THR . 32.4 m80 -133.75 108.24 8.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 110.813 -178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.553 ' NH1' HG13 ' A' ' 997' ' ' ILE . 0.0 OUTLIER -77.86 146.0 35.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.008 -178.253 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.761 HD13 ' HA ' ' A' 1000 ' ' SER . 2.3 mt -79.53 141.46 36.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.089 -178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.847 HD13 ' HB ' ' A' 1019 ' ' ILE . 3.6 mp -105.42 63.7 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.532 171.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -165.28 -118.1 0.43 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.677 -176.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -111.01 -20.34 12.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.727 0.299 . . . . 0.0 111.328 -173.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . 0.761 ' HA ' HD13 ' A' ' 996' ' ' LEU . 34.9 t 59.69 19.24 7.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -176.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 35.5 t -173.33 178.39 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.435 -177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -157.04 151.68 25.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.882 0.372 . . . . 0.0 111.466 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -145.5 115.9 7.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 44.6 t -64.27 105.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 -174.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 27.8 pt -100.39 -171.24 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.296 178.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.593 HD12 ' HD2' ' A' 1012 ' ' HIS . 30.5 mt 57.0 -173.0 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.108 -176.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 74.9 m -169.81 175.13 5.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.016 -170.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 59.99 -124.96 37.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.554 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.87 -21.06 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.41 . . . . 0.0 110.836 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.5 153.51 19.3 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.261 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.435 ' H ' ' CD2' ' A' 1012 ' ' HIS . . . 179.99 101.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.562 -177.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . 0.593 ' HD2' HD12 ' A' 1006 ' ' LEU . 50.2 m-70 -138.46 168.0 20.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.996 -170.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . . . . . . . . . 82.8 m95 -105.44 130.65 53.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.663 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 51.2 m -60.63 -16.27 36.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.46 -170.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 8.1 t -84.95 141.72 30.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.951 0.405 . . . . 0.0 111.461 -176.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 151.51 55.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.42 172.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.09 104.07 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.619 2.213 . . . . 0.0 112.042 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.478 ' O ' HD13 ' A' 1019 ' ' ILE . 84.8 Cg_endo -82.25 178.6 6.16 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.679 2.253 . . . . 0.0 112.493 -173.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.847 ' HB ' HD13 ' A' ' 997' ' ' ILE . 12.5 mm -125.29 163.0 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.762 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.459 ' N ' HG22 ' A' 1019 ' ' ILE . 37.3 m -114.06 78.77 1.18 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.727 -178.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -96.95 136.28 37.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 993' ' ' GLY . 58.3 ttp180 -60.62 132.24 53.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . 0.45 HG12 ' HB3' ' A' ' 995' ' ' ARG . 63.0 mt -62.7 125.98 87.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.069 -178.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.25 1.083 0 C-N-CA 122.538 2.159 . . . . 0.0 112.297 179.619 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.696 0.284 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 62.77 -83.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.364 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -102.44 126.47 49.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.001 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -90.03 146.53 24.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . 0.451 ' HE2' ' H ' ' A' ' 980' ' ' ILE . 95.8 mttt 65.18 139.61 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.086 -178.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 36.2 t -142.39 -19.02 0.7 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . 0.434 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 86.6 m -95.79 127.03 41.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.94 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -75.22 128.87 36.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.814 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 966' ' ' PRO . 58.3 p -53.83 135.85 55.92 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.03 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 965' ' ' THR . 15.7 Cg_exo -68.03 135.85 36.16 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.649 2.233 . . . . 0.0 112.225 -174.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -68.84 123.99 10.98 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.546 2.164 . . . . 0.0 112.148 178.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . 0.472 ' OD1' ' HA ' ' A' ' 973' ' ' MET . 9.3 m-20 -63.56 111.12 4.54 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 -177.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.37 -168.81 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.63 2.22 . . . . 0.0 112.167 178.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.92 127.35 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.054 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.456 ' O ' HG23 ' A' ' 991' ' ' THR . 79.1 m-20 50.14 49.02 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.962 178.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -146.17 163.99 28.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.597 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . 0.472 ' HA ' ' OD1' ' A' ' 968' ' ' ASP . 0.0 OUTLIER -163.99 140.74 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.867 0.365 . . . . 0.0 110.994 -179.722 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 986' ' ' ILE . 9.8 p -95.82 147.42 6.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 178.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -79.14 -47.28 16.36 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.249 -173.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . . . . . . . . . 73.3 t 54.51 97.35 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.037 0.446 . . . . 0.0 111.003 -176.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 58.4 mt -58.16 -68.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.382 -175.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . . . . . . . . . 62.8 m -156.54 -67.0 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.304 -177.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 981' ' ' GLN . 9.7 m-20 -101.6 131.78 47.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.997 -175.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.451 ' H ' ' HE2' ' A' ' 961' ' ' LYS . 18.3 mt -87.5 2.0 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.68 178.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . 0.459 ' HG2' ' HB3' ' A' ' 979' ' ' ASP . 11.6 pt20 -57.73 147.47 27.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.939 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . 0.427 ' HA ' ' HB3' ' A' 1004 ' ' CYS . 7.7 p -59.42 134.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 -179.641 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 115.93 -10.48 18.2 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.422 -177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 46.8 t -91.71 166.84 12.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.878 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -140.24 91.05 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 -179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.447 HD12 HG21 ' A' ' 974' ' ' VAL . 34.1 pt -78.61 169.32 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 67.5 p -117.95 154.07 32.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.481 ' HB3' ' HA ' ' A' 1000 ' ' SER . 1.0 OUTLIER -129.48 138.16 51.24 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.769 -174.632 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . 0.673 ' HA ' HD11 ' A' ' 996' ' ' LEU . 89.9 p -159.87 152.6 21.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.174 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . 0.477 ' SG ' ' HG ' ' A' ' 996' ' ' LEU . 71.1 m -94.4 -169.46 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.738 176.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 971' ' ' ASN . 20.4 p -62.69 176.24 0.7 Allowed 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.386 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 75.7 m -63.92 116.6 5.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.074 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' 1022 ' ' ARG . . . 90.93 23.26 30.65 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' A' ' 990' ' ' CYS . 56.0 m80 -137.02 116.85 13.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.724 0.297 . . . . 0.0 110.829 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . 0.7 ' HB2' HD11 ' A' 1023 ' ' ILE . 96.4 mtt180 -112.5 135.3 53.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.035 -178.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.673 HD11 ' HA ' ' A' ' 989' ' ' SER . 2.3 mp -70.42 149.27 47.43 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.932 -179.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . . . . . . . . . 20.8 mm -96.66 55.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.521 172.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -154.03 -119.76 0.74 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.704 -176.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -107.24 -32.5 7.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.619 0.247 . . . . 0.0 111.261 -173.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . 0.481 ' HA ' ' HB3' ' A' ' 988' ' ' TYR . 90.6 p 49.1 29.42 2.49 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.031 -175.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 70.3 m -164.29 118.97 1.46 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.552 -177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.669 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -109.99 148.05 32.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.382 -174.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -141.29 120.83 13.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.713 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . 0.427 ' HB3' ' HA ' ' A' ' 982' ' ' VAL . 44.2 t -62.14 113.99 3.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -176.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.1 pt -136.77 153.87 30.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.354 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.473 HD23 ' HB2' ' A' 1011 ' ' ALA . 60.6 mt -95.5 135.73 36.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 80.6 p -115.36 -41.29 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.915 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -150.59 -71.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.561 -179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -140.0 2.83 1.96 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.872 0.367 . . . . 0.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 72.4 m -144.8 104.83 4.05 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.054 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.473 ' HB2' HD23 ' A' 1006 ' ' LEU . . . -60.45 137.76 58.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 15.9 p80 -147.07 173.74 12.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.798 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.669 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 64.8 m95 -86.91 145.62 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.822 -178.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.8 m -66.35 -5.21 9.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 -178.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 62.4 p -86.41 103.73 15.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.431 -178.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.427 ' O ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -61.88 160.48 28.31 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 171.426 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' 1016 ' ' LYS . 5.6 Cg_endo -47.85 102.36 0.05 OUTLIER 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 122.859 2.373 . . . . 0.0 112.218 -179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.614 ' HB2' HD23 ' A' ' 996' ' ' LEU . 97.2 Cg_endo -85.12 169.43 10.07 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.759 2.306 . . . . 0.0 112.703 -172.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.466 HG22 ' N ' ' A' 1020 ' ' CYS . 10.5 mt -129.59 163.29 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.58 176.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.466 ' N ' HG22 ' A' 1019 ' ' ILE . 72.4 m -115.66 119.28 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.836 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.22 112.02 17.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 993' ' ' GLY . 38.9 ttm180 -55.7 134.27 51.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.778 177.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . 0.7 HD11 ' HB2' ' A' ' 995' ' ' ARG . 21.9 mm -87.71 -50.7 0.42 Allowed Pre-proline 0 CA--C 1.532 0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.601 -174.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' 1023 ' ' ILE . 55.7 Cg_endo . . . . . 0 C--O 1.25 1.123 0 C-N-CA 122.135 1.89 . . . . 0.0 112.277 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.818 0.342 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -79.78 137.69 37.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.124 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -89.46 90.43 8.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -154.67 -0.36 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.089 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -73.71 161.18 30.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.733 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 43.5 t 62.11 98.55 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 -179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . . . . . . . . . 35.2 m -87.39 155.69 19.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.869 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -166.07 110.07 0.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.633 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . 0.674 ' HB ' ' HD3' ' A' ' 966' ' ' PRO . 96.0 m -160.41 -55.98 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.988 -172.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.674 ' HD3' ' HB ' ' A' ' 965' ' ' THR . 33.3 Cg_exo -61.04 122.53 11.33 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.548 2.166 . . . . 0.0 112.522 -169.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.75 176.73 1.19 Allowed 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.613 2.209 . . . . 0.0 112.008 173.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . 0.721 ' HA ' HG11 ' A' ' 974' ' ' VAL . 4.4 p-10 -106.99 100.49 32.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.131 -179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . 0.767 ' HD2' ' HB ' ' A' ' 974' ' ' VAL . 66.1 Cg_exo -51.24 145.06 27.99 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.658 2.239 . . . . 0.0 112.355 177.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.31 141.21 17.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.245 -178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 57.18 58.37 3.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.1 178.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . 0.549 ' HA3' ' HA ' ' A' ' 990' ' ' CYS . . . 163.99 153.55 7.41 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.762 177.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 23.1 ptp -83.93 159.02 21.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.73 0.3 . . . . 0.0 110.792 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . 0.767 ' HB ' ' HD2' ' A' ' 969' ' ' PRO . 7.4 p -139.64 146.91 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.464 -177.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . 0.758 ' HD2' HG23 ' A' ' 976' ' ' VAL . 5.5 p-80 40.82 -163.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.311 177.011 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . 0.758 HG23 ' HD2' ' A' ' 975' ' ' HIS . 71.0 t 44.49 85.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.227 -169.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . . . . . . . . . 44.4 mm -95.85 -41.92 11.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.713 171.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . 0.509 HG22 ' OD2' ' A' ' 979' ' ' ASP . 50.4 m -155.66 -43.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.677 175.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . 0.509 ' OD2' HG22 ' A' ' 978' ' ' THR . 10.7 m-20 -153.3 122.62 6.64 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.235 176.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.463 HG22 HG21 ' A' ' 986' ' ' ILE . 15.9 pt -105.32 41.31 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 -174.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . 0.478 ' OE1' ' HB3' ' A' ' 979' ' ' ASP . 23.8 mp0 -89.94 -174.91 4.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.668 174.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.72 139.78 20.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.055 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . . . . . . . . . . . 85.65 5.49 84.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.587 178.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 49.3 m -92.96 170.08 9.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.726 0.298 . . . . 0.0 110.938 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -147.13 96.83 2.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.469 HD12 ' N ' ' A' ' 987' ' ' THR . 2.7 pp -89.99 -168.71 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.069 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . 0.469 ' N ' HD12 ' A' ' 986' ' ' ILE . 33.6 p -151.04 151.88 32.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.267 -173.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -102.06 116.53 32.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.662 175.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 56.8 m -90.3 -70.06 0.69 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.168 -174.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . 0.549 ' HA ' ' HA3' ' A' ' 972' ' ' GLY . 18.7 t 62.77 156.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -174.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . . . . . . . . . 2.0 t -62.8 141.41 58.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.244 -177.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 59.5 m -55.17 130.6 42.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.241 -176.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 113.65 -37.14 3.71 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.332 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.547 ' HB3' ' HB3' ' A' 1020 ' ' CYS . 0.4 OUTLIER -77.57 104.31 8.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.851 179.588 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -76.12 125.61 29.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.512 ' HA ' ' O ' ' A' 1019 ' ' ILE . 73.0 mt -72.71 134.5 45.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.912 HD11 ' HB2' ' A' 1021 ' ' GLN . 4.0 mp -98.78 71.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.575 172.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . 0.493 ' HA3' ' HB3' ' A' 1018 ' ' PRO . . . -170.05 -108.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.495 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . 0.456 ' HD2' ' HB3' ' A' 1001 ' ' SER . 59.2 t60 -141.38 -13.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.776 -177.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . . . . . . . . . 37.5 t 62.68 19.15 11.16 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.971 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . 0.456 ' HB3' ' HD2' ' A' ' 999' ' ' HIS . 46.8 t -171.83 164.83 6.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.79 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.554 ' HB1' ' HB3' ' A' 1013 ' ' TRP . . . -158.92 163.04 36.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.298 -179.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -135.22 119.19 17.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.602 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . 0.517 ' SG ' ' HB1' ' A' 1011 ' ' ALA . 47.2 t -73.82 101.04 3.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.99 -174.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . . . . . . . . . 46.6 pt -116.71 148.29 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.136 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.509 ' H ' HD12 ' A' 1006 ' ' LEU . 5.4 mp -70.86 100.28 1.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.838 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 79.0 p -73.43 -19.79 60.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . 178.2 -98.48 0.12 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.49 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 13.7 m120 -101.11 6.97 43.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.867 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 39.2 m -152.69 144.73 23.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.517 ' HB1' ' SG ' ' A' 1004 ' ' CYS . . . -78.51 113.84 16.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.208 -178.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -128.89 141.82 51.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.554 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 67.1 m95 -67.07 151.82 46.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.984 -177.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 49.7 m -68.34 -62.28 1.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.055 -177.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . . . . . . . . . 63.3 p -64.47 178.63 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.38 -175.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.823 ' H ' ' HD2' ' A' 1016 ' ' LYS . 0.0 OUTLIER -109.04 144.33 29.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.689 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.77 109.39 0.37 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.612 2.208 . . . . 0.0 112.469 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.493 ' HB3' ' HA3' ' A' ' 998' ' ' GLY . 63.8 Cg_endo -73.27 178.74 6.21 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.608 2.205 . . . . 0.0 112.244 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.828 HG23 HD13 ' A' ' 997' ' ' ILE . 5.3 tp -144.44 160.19 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.09 0.471 . . . . 0.0 111.368 -177.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.609 ' N ' HG13 ' A' 1019 ' ' ILE . 83.2 m -94.92 103.98 15.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.748 -177.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . 0.912 ' HB2' HD11 ' A' ' 997' ' ' ILE . 9.7 tt0 -64.96 -41.39 95.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.115 -176.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . . . . . . . . . 56.3 ttp180 62.07 113.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.042 -175.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . 0.441 ' O ' HD12 ' A' 1023 ' ' ILE . 1.3 pp -94.27 152.45 40.24 Favored Pre-proline 0 N--CA 1.454 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.237 -179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo . . . . . 0 C--O 1.249 1.065 0 C-N-CA 122.566 2.177 . . . . 0.0 112.295 179.487 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 957' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.724 0.297 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . 61.73 174.19 0.12 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.266 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 959' ' ' GLU . . . . . 0.418 ' OE1' ' HA3' ' A' ' 983' ' ' GLY . 13.9 mm-40 -117.18 88.03 2.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -157.09 -175.2 5.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 961' ' ' LYS . . . . . . . . . . . . . 87.8 tttt 65.07 153.75 0.06 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.029 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 962' ' ' SER . . . . . . . . . . . . . 57.0 m -108.14 128.1 54.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 -177.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 963' ' ' CYS . . . . . 0.49 ' HB2' ' O ' ' A' ' 980' ' ' ILE . 60.8 m -94.18 134.65 36.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 179.193 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 964' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -59.35 110.99 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.887 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 965' ' ' THR . . . . . . . . . . . . . 30.1 p -68.68 145.38 96.95 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.112 -175.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 966' ' ' PRO . . . . . 0.425 ' HG3' ' OH ' ' A' ' 988' ' ' TYR . 74.5 Cg_endo -77.09 138.87 18.6 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.647 2.231 . . . . 0.0 112.567 -175.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 967' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.89 156.08 52.84 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.59 2.193 . . . . 0.0 112.167 175.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 968' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -58.03 111.54 3.66 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.045 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 969' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.91 153.08 59.65 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.613 2.209 . . . . 0.0 112.322 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . . . . . . . . . 7.5 p -67.05 129.31 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.922 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 971' ' ' ASN . . . . . 0.49 ' O ' HG23 ' A' ' 991' ' ' THR . 82.8 m-20 53.83 28.09 7.94 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -177.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -144.07 -172.67 14.93 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 973' ' ' MET . . . . . . . . . . . . . 22.0 ptp -166.62 130.9 2.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.842 0.353 . . . . 0.0 110.954 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 974' ' ' VAL . . . . . 0.475 HG21 HD12 ' A' ' 986' ' ' ILE . 8.6 p -85.08 143.69 11.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.925 177.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 975' ' ' HIS . . . . . . . . . . . . . 63.2 m-70 -88.1 -41.49 13.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.238 -172.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 976' ' ' VAL . . . . . 0.406 ' HA ' ' CG2' ' A' ' 986' ' ' ILE . 87.5 t 49.89 88.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.973 0.416 . . . . 0.0 110.948 -175.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 977' ' ' ILE . . . . . 0.731 HG22 HG23 ' A' ' 978' ' ' THR . 3.2 mp -67.61 -71.5 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.221 -173.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 978' ' ' THR . . . . . 0.731 HG23 HG22 ' A' ' 977' ' ' ILE . 71.9 p -107.21 -58.25 1.97 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.315 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 979' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -144.06 -168.43 2.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.6 -176.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 980' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 963' ' ' CYS . 1.5 pp -144.33 31.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -177.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 981' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -115.88 -166.66 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.681 176.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 982' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.91 130.97 25.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 983' ' ' GLY . . . . . 0.418 ' HA3' ' OE1' ' A' ' 959' ' ' GLU . . . 92.24 -8.76 77.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.511 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 984' ' ' SER . . . . . . . . . . . . . 60.3 p -105.45 124.57 49.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.339 . . . . 0.0 110.987 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 985' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -106.18 124.84 50.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 986' ' ' ILE . . . . . 0.501 ' HA ' HD13 ' A' ' 977' ' ' ILE . 35.4 pt -110.67 173.03 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 175.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 987' ' ' THR . . . . . . . . . . . . . 68.2 p -131.11 143.02 50.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.35 -177.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 988' ' ' TYR . . . . . 0.425 ' OH ' ' HG3' ' A' ' 966' ' ' PRO . 64.2 m-85 -109.81 150.13 28.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.735 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 989' ' ' SER . . . . . . . . . . . . . 55.3 m -151.42 130.35 12.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.98 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 990' ' ' CYS . . . . . . . . . . . . . 44.3 t -110.79 172.12 7.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.683 178.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 991' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 971' ' ' ASN . 10.7 p -58.49 150.14 23.45 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.267 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 992' ' ' THR . . . . . . . . . . . . . 6.3 t -64.57 139.11 58.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.305 -177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 993' ' ' GLY . . . . . . . . . . . . . . . 91.29 17.92 48.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.33 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 994' ' ' HIS . . . . . 0.415 ' CD2' ' HA ' ' A' 1022 ' ' ARG . 14.2 m80 -130.4 140.24 50.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.321 . . . . 0.0 110.764 -177.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 995' ' ' ARG . . . . . . . . . . . . . 26.7 mmm180 -91.71 110.0 21.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 -176.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 996' ' ' LEU . . . . . 0.542 HD13 ' N ' ' A' ' 997' ' ' ILE . 2.1 tm? -66.38 130.28 42.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 177.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 997' ' ' ILE . . . . . 0.586 HG21 ' HB2' ' A' 1018 ' ' PRO . 77.6 mt -98.75 126.11 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.761 174.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . 0.742 ' HA2' ' HD3' ' A' 1016 ' ' LYS . . . 132.05 -103.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.34 -172.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 999' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -165.58 17.5 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.744 0.307 . . . . 0.0 110.995 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1000 ' ' SER . . . . . 0.429 ' H ' HD12 ' A' ' 996' ' ' LEU . 36.5 t 56.21 15.47 1.9 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.176 -178.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1001 ' ' SER . . . . . . . . . . . . . 45.6 t -171.76 160.12 5.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.614 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . 0.806 ' HB2' HG23 ' A' 1015 ' ' THR . . . -148.92 146.26 27.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 111.565 -176.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1003 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -136.07 119.98 17.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.295 170.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1004 ' ' CYS . . . . . . . . . . . . . 36.0 t -53.64 98.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 -174.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1005 ' ' ILE . . . . . 0.566 HD13 ' HG ' ' A' 1006 ' ' LEU . 1.7 pp -89.18 -170.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.718 -174.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1006 ' ' LEU . . . . . 0.566 ' HG ' HD13 ' A' 1005 ' ' ILE . 28.7 mt 61.79 -82.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.021 -172.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 38.6 m 56.68 26.32 11.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.882 0.372 . . . . 0.0 111.04 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1008 ' ' GLY . . . . . . . . . . . . . . . -122.46 -97.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.193 177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1009 ' ' ASN . . . . . . . . . . . . . 7.6 p30 -78.41 -7.32 57.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.945 0.403 . . . . 0.0 110.55 173.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . 0.756 HG22 ' H ' ' A' 1011 ' ' ALA . 0.6 OUTLIER -152.93 -172.99 4.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.492 177.7 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1011 ' ' ALA . . . . . 0.756 ' H ' HG22 ' A' 1010 ' ' THR . . . -176.44 117.77 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.088 -174.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1012 ' ' HIS . . . . . . . . . . . . . 9.4 p80 -163.58 174.63 11.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1013 ' ' TRP . . . . . 0.496 ' HB3' ' HB1' ' A' 1002 ' ' ALA . 87.2 m95 -90.58 152.17 21.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.939 -177.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1014 ' ' SER . . . . . . . . . . . . . 82.6 p -81.25 -3.76 53.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.312 -172.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1015 ' ' THR . . . . . 0.806 HG23 ' HB2' ' A' 1002 ' ' ALA . 21.0 p -79.66 151.74 30.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.238 178.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1016 ' ' LYS . . . . . 0.748 ' HB3' ' HD2' ' A' 1018 ' ' PRO . 13.0 mptt -92.38 141.15 24.52 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.917 -178.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1017 ' ' PRO . . . . . 0.431 ' HB2' ' HD3' ' A' 1018 ' ' PRO . 75.8 Cg_exo -47.07 -45.84 20.41 Favored 'Trans proline' 0 CA--C 1.535 0.536 0 C-N-CA 122.672 2.248 . . . . 0.0 113.196 175.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1018 ' ' PRO . . . . . 0.748 ' HD2' ' HB3' ' A' 1016 ' ' LYS . 95.6 Cg_exo -43.13 -47.7 8.42 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.356 2.037 . . . . 0.0 112.845 179.411 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1019 ' ' ILE . . . . . 0.809 HG13 ' H ' ' A' 1020 ' ' CYS . 6.3 tp 46.28 -161.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.25 177.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1020 ' ' CYS . . . . . 0.809 ' H ' HG13 ' A' 1019 ' ' ILE . 52.9 t -35.36 125.04 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.269 -178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1021 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -92.66 -35.53 13.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.098 -170.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1022 ' ' ARG . . . . . 0.481 ' HD3' ' ND2' ' A' ' 971' ' ' ASN . 55.7 ttp180 63.0 113.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.208 -178.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1023 ' ' ILE . . . . . . . . . . . . . 7.3 pt -101.1 144.71 29.1 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1024 ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo . . . . . 0 C--O 1.25 1.102 0 C-N-CA 122.559 2.173 . . . . 0.0 112.321 179.01 . . . . . . . . 0 0 . 1 stop_ save_