data_1cn7_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 1cn7 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -42.62 49.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 119.554 1.07 . . . . 0.0 109.629 159.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -54.46 -49.93 68.91 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.474 1.51 . . . . 0.0 111.749 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -57.83 -53.66 55.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.5 1.12 . . . . 0.0 111.112 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 56.7 tttp -64.79 -36.69 85.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.076 0.55 . . . . 0.0 112.364 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.07 -38.77 72.45 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.084 0.954 . . . . 0.0 112.429 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.76 -43.26 89.41 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.805 1.184 . . . . 0.0 111.536 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -51.63 -42.32 61.94 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.813 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 t -64.51 -59.0 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.698 1.199 . . . . 0.0 112.969 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -54.49 -19.7 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.693 1.997 . . . . 0.0 113.693 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -47.13 -35.23 6.91 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.892 1.677 . . . . 0.0 113.462 165.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.5 p -150.36 -16.46 0.24 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.36 152.22 35.68 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.884 1.23 . . . . 0.0 111.905 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -94.51 138.06 32.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.836 0.827 . . . . 0.0 113.15 -163.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -141.16 174.33 10.64 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.4 1.48 . . . . 0.0 113.627 -170.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -146.6 150.77 36.13 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.536 1.935 . . . . 0.0 110.723 173.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.9 mt -136.29 126.08 25.67 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.368 1.467 . . . . 0.0 114.248 -164.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.89 147.67 11.74 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 123.707 0.67 . . . . 0.0 112.599 177.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -44.82 -59.2 2.65 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.291 1.436 . . . . 0.0 113.112 -163.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -56.46 -39.68 73.59 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -71.02 -46.05 62.85 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 125.541 1.536 . . . . 0.0 112.523 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.255 5.2 t -60.15 -61.33 2.69 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 117.683 -1.151 . . . . 0.0 108.994 168.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -47.71 -45.69 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 120.174 1.352 . . . . 0.0 113.104 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -45.41 -69.62 0.13 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.783 1.233 . . . . 0.0 111.489 166.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.0 m -77.01 -15.15 59.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -171.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 mt -69.51 -42.83 74.21 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.078 0.854 . . . . 0.0 111.06 162.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -71.49 -20.13 62.11 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.793 0.724 . . . . 0.0 112.852 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -71.37 -6.9 43.57 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 160.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.87 3.92 81.35 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.283 1.42 . . . . 0.0 115.264 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -94.32 -4.39 48.75 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -153.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 p -83.52 161.16 21.32 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.614 1.565 . . . . 0.0 113.824 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -123.24 -16.12 7.02 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.947 1.299 . . . . 0.0 113.567 163.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.78 136.85 25.98 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 118.995 0.816 . . . . 0.0 111.207 173.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.0 pt -111.33 135.69 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.045 1.338 . . . . 0.0 111.054 165.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.8 mm -102.1 132.19 48.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 167.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -124.21 91.62 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 170.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.05 70.79 6.34 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.97 0.89 . . . . 0.0 111.513 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.6 148.5 16.15 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.718 2.007 . . . . 0.0 109.255 167.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -71.95 70.88 0.78 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.489 1.138 . . . . 0.0 110.747 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.7 m -78.13 130.47 72.28 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 127.261 2.224 . . . . 0.0 111.384 -156.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.61 152.86 77.63 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.553 2.169 . . . . 0.0 112.216 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.1 t -51.84 -46.6 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.631 1.572 . . . . 0.0 113.124 -165.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.97 -26.55 65.1 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -40.7 11.57 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.413 -0.805 . . . . 0.0 110.201 -176.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -49.01 79.08 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 168.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 m -63.5 -36.96 85.48 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 117.602 -1.189 . . . . 0.0 112.967 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.25 -43.32 95.22 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.661 1.573 . . . . 0.0 112.498 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.67 -43.94 93.8 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.106 0.866 . . . . 0.0 113.099 173.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.08 -40.36 93.4 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.72 2.008 . . . . 0.0 111.837 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -61.44 -46.49 89.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.102 1.361 . . . . 0.0 111.403 172.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -66.41 -36.71 83.51 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.114 -0.991 . . . . 0.0 112.935 173.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.97 -35.68 71.51 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.812 0.845 . . . . 0.0 113.039 170.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.7 ttp -78.31 -34.83 48.44 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.003 2.121 . . . . 0.0 114.031 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.93 -53.18 22.35 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.907 1.283 . . . . 0.0 111.35 173.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.5 p -62.29 -174.11 0.05 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.906 0.883 . . . . 0.0 110.309 156.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -121.82 75.75 1.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 O-C-N 119.529 -1.982 . . . . 0.0 109.573 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.5 m -132.54 133.56 43.88 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 114.434 -1.257 . . . . 0.0 111.222 -155.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -79.67 149.93 31.08 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.239 0.615 . . . . 0.0 110.937 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -113.2 128.86 69.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.539 1.136 . . . . 0.0 110.199 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -125.04 103.73 8.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.465 1.106 . . . . 0.0 111.062 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -79.49 87.97 5.08 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.877 1.271 . . . . 0.0 111.188 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 125.307 1.443 . . . . 0.0 108.68 174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.8 tp . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.51 -17.35 19.16 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 121.595 -0.691 . . . . 0.0 113.923 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -63.96 -38.65 91.86 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.687 1.195 . . . . 0.0 111.835 169.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.06 -26.14 59.15 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.758 1.223 . . . . 0.0 114.067 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -164.649 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 121.308 0.575 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.409 ' C ' ' HG ' ' A' ' 91' ' ' SER . 43.5 t -135.83 158.46 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.824 1.649 . . . . 0.0 108.432 -172.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.409 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 13.5 m -146.93 151.41 36.98 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 119.753 -1.842 . . . . 0.0 110.634 166.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.4 mm -123.22 133.51 68.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 C-N-CA 125.771 1.628 . . . . 0.0 109.588 -172.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 mp -115.57 -106.89 0.38 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.355 2.662 . . . . 0.0 108.517 -169.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.54 82.09 3.23 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.831 -1.168 . . . . 0.0 110.698 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 51.99 0.07 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.066 1.746 . . . . 0.0 113.285 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.49 47.68 1.16 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.633 1.587 . . . . 0.0 113.972 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -144.51 -83.99 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.713 1.605 . . . . 0.0 110.171 -174.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -108.38 155.16 20.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 123.355 1.55 . . . . 0.0 111.914 163.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.417 ' CG ' ' HZ2' ' A' ' 13' ' ' LYS . 8.2 p-10 -52.41 -1.1 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 1 C-N-CA 135.128 5.371 . . . . 0.0 117.586 177.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.419 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 13.8 tt -45.25 -49.2 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 120.087 1.312 . . . . 0.0 114.369 -157.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -173.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 118.736 -0.65 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -48.35 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.419 177.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.96 -59.42 5.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.172 0.989 . . . . 0.0 110.228 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -63.46 -47.06 83.41 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -63.34 -34.85 78.6 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.652 -0.655 . . . . 0.0 111.892 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.25 -44.59 79.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.422 -0.799 . . . . 0.0 111.185 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.68 90.82 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.508 1.049 . . . . 0.0 112.076 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tt -54.47 -50.28 68.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.647 1.579 . . . . 0.0 111.125 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -55.97 -48.95 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.089 0.956 . . . . 0.0 112.404 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mt -54.72 -20.46 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 125.398 1.479 . . . . 0.0 113.762 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -57.0 -30.43 64.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.554 1.525 . . . . 0.0 113.363 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.9 p -150.85 -4.99 0.3 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -175.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.32 165.53 34.2 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.636 1.112 . . . . 0.0 113.535 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -93.8 112.9 24.84 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.754 1.222 . . . . 0.0 110.779 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -128.16 174.69 9.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.751 1.22 . . . . 0.0 113.802 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -148.05 148.92 31.2 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.286 1.835 . . . . 0.0 110.762 174.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -137.56 129.89 29.43 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.603 1.561 . . . . 0.0 113.766 -166.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.72 149.23 24.46 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.773 0.701 . . . . 0.0 111.791 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 35.2 t80 -57.01 -53.41 58.38 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -163.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -54.0 -46.89 71.88 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.396 1.078 . . . . 0.0 111.372 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -58.65 -53.18 61.3 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.73 1.612 . . . . 0.0 112.074 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.268 7.7 t -60.52 -56.59 19.55 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 116.734 -1.603 . . . . 0.0 110.185 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.4 t -48.25 -51.5 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 121.602 2.001 . . . . 0.0 112.755 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -49.93 -57.74 6.86 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.046 1.338 . . . . 0.0 111.19 171.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 m -61.78 -44.23 97.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.836 1.254 . . . . 0.0 112.757 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.5 mt -65.13 -39.64 93.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.533 1.133 . . . . 0.0 111.373 176.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -66.11 -35.62 80.99 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.795 0.838 . . . . 0.0 112.63 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -73.29 -40.85 64.22 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.71 -171.85 38.55 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 117.159 1.623 . . . . 0.0 117.159 -169.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.47 89.66 0.15 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.265 1.826 . . . . 0.0 112.934 -171.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -64.18 171.95 2.72 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.276 -0.89 . . . . 0.0 111.213 150.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -134.66 -24.02 1.56 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 164.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.68 129.81 19.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.138 1.775 . . . . 0.0 108.75 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.0 pt -113.12 150.49 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.738 0.699 . . . . 0.0 111.364 166.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.5 mm -120.54 135.07 61.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 124.769 1.227 . . . . 0.0 109.694 175.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.11 92.2 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.636 0.732 . . . . 0.0 109.066 164.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.36 55.24 0.64 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.359 2.263 . . . . 0.0 109.275 165.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.5 159.54 43.95 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.768 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -66.54 55.74 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 129.375 3.07 . . . . 0.0 112.446 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.3 m -105.49 101.5 32.2 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 129.629 3.172 . . . . 0.0 109.876 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.31 174.13 12.61 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.586 2.858 . . . . 0.0 114.227 -168.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.2 t -51.8 -44.99 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 126.225 1.81 . . . . 0.0 114.744 -164.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.95 -39.27 72.71 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.715 1.143 . . . . 0.0 111.732 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.482 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -68.11 -46.76 70.01 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 127.203 2.201 . . . . 0.0 111.583 -175.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -57.04 -45.05 83.45 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -75.56 -25.15 56.86 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 122.824 0.45 . . . . 0.0 111.756 -168.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.45 -49.91 73.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.818 160.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.45 -44.66 76.6 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 120.424 1.466 . . . . 0.0 112.868 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.74 -47.26 77.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.682 2.393 . . . . 0.0 111.035 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.5 -49.85 75.93 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.003 1.321 . . . . 0.0 112.204 172.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -62.94 -40.79 98.73 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.195 -0.941 . . . . 0.0 112.089 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.83 91.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.009 0.924 . . . . 0.0 112.679 170.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -57.87 -38.44 75.72 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.785 0.834 . . . . 0.0 111.982 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.11 -68.22 0.38 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.77 1.168 . . . . 0.0 111.645 170.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.4 p -77.18 66.76 3.03 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.323 1.449 . . . . 0.0 111.578 -175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -33.91 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.535 2.334 . . . . 0.0 114.834 -146.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -134.57 147.28 50.23 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.418 1.887 . . . . 0.0 111.95 -165.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.13 153.62 21.38 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.375 0.67 . . . . 0.0 111.203 172.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.37 96.69 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 125.753 1.621 . . . . 0.0 109.96 -171.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -83.36 102.37 11.96 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.772 0.796 . . . . 0.0 110.435 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -79.03 122.8 26.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.784 0.802 . . . . 0.0 111.576 173.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.547 0.852 0 C-N-CA 128.408 2.683 . . . . 0.0 107.932 -178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.5 tp . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.55 -40.09 23.83 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 118.185 -1.342 . . . . 0.0 112.569 161.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.3 m -55.15 -31.43 61.31 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.25 2.025 . . . . 0.0 112.804 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.0 -65.67 0.74 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.977 0.808 . . . . 0.0 111.583 162.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -154.715 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 121.57 0.7 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.2 t -134.48 156.94 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.665 1.186 . . . . 0.0 109.466 -164.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.8 m -147.47 148.82 31.65 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 120.541 -1.35 . . . . 0.0 110.935 163.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.0 mm -120.87 132.51 70.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 125.853 1.661 . . . . 0.0 108.722 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.92 -58.37 2.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.256 1.822 . . . . 0.0 110.033 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -131.63 113.34 13.48 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.051 1.741 . . . . 0.0 109.084 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.89 73.04 1.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.581 0.752 . . . . 0.0 111.874 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.5 44.96 0.36 Allowed Glycine 0 CA--C 1.535 1.326 0 C-N-CA 126.66 2.076 . . . . 0.0 115.303 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -158.24 -81.87 0.06 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.205 1.402 . . . . 0.0 111.232 164.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -107.95 163.31 13.24 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.39 1.476 . . . . 0.0 113.288 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -64.77 12.22 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.811 2.844 . . . . 0.0 117.495 -162.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.8 tt -49.59 -43.5 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 120.003 1.274 . . . . 0.0 114.28 -157.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.251 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -50.53 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 118.935 0.789 . . . . 0.0 108.959 169.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -55.94 9.79 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.731 1.612 . . . . 0.0 111.929 170.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.87 -47.39 85.21 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.178 0.991 . . . . 0.0 112.541 -177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.94 -40.86 98.94 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.572 0.749 . . . . 0.0 111.38 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.9 -39.73 94.87 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.736 0.815 . . . . 0.0 111.846 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.98 -48.52 79.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.552 1.069 . . . . 0.0 112.016 172.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -53.67 -43.79 69.15 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 124.674 1.19 . . . . 0.0 110.461 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -59.92 -57.56 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.276 1.03 . . . . 0.0 112.416 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mt -50.74 -29.37 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.317 1.847 . . . . 0.0 113.5 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -21.86 7.17 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 171.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 p -151.52 -14.04 0.2 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 163.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.35 157.83 43.03 Favored Glycine 0 CA--C 1.534 1.276 0 CA-C-N 119.949 1.25 . . . . 0.0 113.193 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -79.36 110.42 14.63 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.887 -0.773 . . . . 0.0 111.879 -171.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -118.41 173.34 6.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.07 1.348 . . . . 0.0 113.84 174.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -146.0 163.37 35.41 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.783 2.033 . . . . 0.0 110.954 171.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.9 mt -143.64 145.63 32.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.773 2.029 . . . . 0.0 111.716 -170.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.51 159.4 35.39 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.122 1.344 . . . . 0.0 113.013 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -65.6 -80.41 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -164.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -20.95 66.42 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.33 -1.481 . . . . 0.0 111.887 178.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.6 t -55.23 -56.34 21.09 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 127.133 2.173 . . . . 0.0 112.896 167.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 t -62.51 -45.58 92.36 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 116.723 -1.608 . . . . 0.0 110.535 172.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.6 t -47.49 -55.59 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 121.973 2.17 . . . . 0.0 112.672 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -50.64 58.7 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.624 1.97 . . . . 0.0 111.198 172.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -65.21 -41.14 94.76 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.918 1.287 . . . . 0.0 113.579 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.22 -29.87 71.12 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.668 1.987 . . . . 0.0 111.155 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -43.01 36.09 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.152 1.381 . . . . 0.0 112.825 170.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -63.6 -41.84 98.3 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.76 168.89 21.66 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.05 1.18 . . . . 0.0 116.05 -163.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -69.07 71.5 0.24 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.41 2.284 . . . . 0.0 112.077 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.5 p -62.12 152.29 33.31 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -142.18 -26.29 0.65 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 169.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.31 123.52 12.21 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.24 0.927 . . . . 0.0 109.907 -179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.3 pt -106.05 144.78 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 118.748 0.704 . . . . 0.0 111.051 168.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.5 mm -110.65 134.47 52.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 125.118 1.367 . . . . 0.0 108.608 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mt -123.89 90.72 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.33 51.21 0.82 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.355 2.262 . . . . 0.0 110.416 172.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.78 168.37 19.83 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.335 1.454 . . . . 0.0 111.447 -172.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -68.37 55.22 0.08 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.782 2.033 . . . . 0.0 113.804 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.3 m -98.98 108.51 49.68 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 125.566 1.546 . . . . 0.0 112.026 -162.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -77.99 174.2 12.86 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.809 3.006 . . . . 0.0 112.573 172.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.4 t -53.02 -46.78 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.997 1.719 . . . . 0.0 113.451 -172.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.37 -44.96 89.75 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.259 0.936 . . . . 0.0 111.702 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -64.68 -45.52 86.33 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.612 1.165 . . . . 0.0 111.16 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -62.69 -43.07 99.74 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.244 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -56.72 -40.18 75.22 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.117 0.967 . . . . 0.0 111.893 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -55.61 32.27 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.885 0.766 . . . . 0.0 111.106 171.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.78 -43.15 85.35 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.167 0.984 . . . . 0.0 112.992 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -62.44 -35.47 79.35 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 128.029 2.532 . . . . 0.0 112.208 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.19 -48.5 78.09 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.154 0.888 . . . . 0.0 111.596 168.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -66.48 -30.63 71.01 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.154 -0.966 . . . . 0.0 113.348 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.73 71.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.966 1.306 . . . . 0.0 112.174 165.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -56.11 -41.61 75.51 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.808 1.243 . . . . 0.0 112.413 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.66 -78.75 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.328 1.051 . . . . 0.0 112.466 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 p -80.4 78.16 7.12 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.034 1.334 . . . . 0.0 109.374 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -35.34 100.39 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.326 2.25 . . . . 0.0 113.131 -152.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -137.25 146.05 44.31 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.689 2.396 . . . . 0.0 109.732 -165.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -87.41 155.01 20.22 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.286 0.493 . . . . 0.0 111.114 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.03 107.92 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 126.081 1.752 . . . . 0.0 110.157 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -95.83 101.69 13.4 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.888 0.851 . . . . 0.0 110.795 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -77.95 108.76 11.44 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.375 1.07 . . . . 0.0 110.613 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 CA--C 1.55 0.975 0 C-N-CA 126.196 1.798 . . . . 0.0 110.372 -176.605 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 tp . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.76 -24.9 34.68 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.163 -0.798 . . . . 0.0 113.561 167.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 m -64.2 -47.72 78.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.172 1.389 . . . . 0.0 111.005 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.54 82.65 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 121.827 0.823 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.422 ' C ' ' HG ' ' A' ' 91' ' ' SER . 30.9 t -135.66 157.41 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 126.001 1.721 . . . . 0.0 107.621 -172.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.422 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 13.6 m -150.94 152.64 33.88 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 119.85 -1.781 . . . . 0.0 111.205 167.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.8 mm -121.66 134.37 65.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 126.298 1.839 . . . . 0.0 108.724 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.38 -67.78 0.96 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.524 1.53 . . . . 0.0 109.216 -173.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -123.93 89.46 3.09 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.204 1.002 . . . . 0.0 110.163 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.75 65.11 0.69 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.732 0.813 . . . . 0.0 111.767 171.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.36 43.98 0.9 Allowed Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.01 1.29 . . . . 0.0 112.983 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -145.6 -84.37 0.13 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.475 1.51 . . . . 0.0 110.072 -167.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 t -107.79 152.52 24.26 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 123.767 1.746 . . . . 0.0 111.519 160.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -52.23 11.78 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.824 1 C-N-CA 135.897 5.679 . . . . 0.0 117.319 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 tt -52.02 -52.68 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 121.171 1.805 . . . . 0.0 112.916 -169.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.313 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 175.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 CA--C 1.531 0.22 0 N-CA-C 110.911 -0.033 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -46.63 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.242 169.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -52.5 -55.14 24.12 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 120.055 1.298 . . . . 0.0 111.017 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -52.77 -61.62 2.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.857 0.863 . . . . 0.0 111.444 177.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -66.05 -37.04 84.83 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.98 -38.95 76.18 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.186 -0.912 . . . . 0.0 112.002 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.34 89.79 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.104 1.32 . . . . 0.0 112.068 172.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.35 -43.04 64.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.543 1.137 . . . . 0.0 110.841 171.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -63.55 -57.95 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.172 0.989 . . . . 0.0 112.838 169.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.5 mt -51.5 -31.4 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.43 1.492 . . . . 0.0 113.139 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -16.7 4.88 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.44 1.496 . . . . 0.0 114.435 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.3 p -148.82 -14.34 0.32 Allowed 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 164.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.47 170.78 39.18 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.465 1.507 . . . . 0.0 114.827 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.07 112.15 23.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.78 1.232 . . . . 0.0 111.346 -174.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -123.34 172.17 8.86 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.657 1.583 . . . . 0.0 113.618 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 t -142.77 156.97 45.07 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.49 1.916 . . . . 0.0 110.875 171.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.6 mt -141.06 130.81 24.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.069 1.748 . . . . 0.0 113.255 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.98 151.16 21.63 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.609 1.099 . . . . 0.0 113.032 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -50.64 -57.5 8.08 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.842 1.257 . . . . 0.0 113.53 -162.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -55.58 -47.03 77.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.041 0.937 . . . . 0.0 112.101 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -60.5 -47.4 86.32 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 127.138 2.175 . . . . 0.0 112.845 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -66.0 -58.47 5.44 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 116.72 -1.61 . . . . 0.0 109.203 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -46.86 -49.75 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.561 1.982 . . . . 0.0 113.147 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -44.12 -65.11 0.55 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.516 1.527 . . . . 0.0 111.332 166.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -70.04 -27.2 64.46 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.146 1.378 . . . . 0.0 113.681 -169.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 mt -75.02 -38.78 61.42 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.393 1.077 . . . . 0.0 111.422 171.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -68.17 -20.83 64.9 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.668 0.667 . . . . 0.0 112.445 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -75.12 3.41 8.65 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.12 1.368 . . . . 0.0 113.849 161.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.9 -48.49 3.9 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.764 1.65 . . . . 0.0 115.725 160.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -78.98 20.39 0.48 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -164.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.8 p -70.68 162.58 28.76 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.594 1.088 . . . . 0.0 111.636 167.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -130.76 -14.71 3.55 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 164.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -139.23 130.45 26.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.661 1.119 . . . . 0.0 110.748 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 pt -114.93 138.59 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.022 0.929 . . . . 0.0 111.182 161.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 mm -111.63 139.84 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 124.273 1.029 . . . . 0.0 108.466 167.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 mt -122.67 94.04 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.21 58.86 3.37 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 123.594 1.664 . . . . 0.0 110.866 169.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.93 140.29 32.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.888 1.275 . . . . 0.0 110.826 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -73.04 72.98 1.17 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.341 1.856 . . . . 0.0 108.4 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.8 m -91.23 117.89 68.15 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 124.775 1.23 . . . . 0.0 112.383 -149.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.34 148.53 41.45 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.405 2.737 . . . . 0.0 113.301 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.9 -45.32 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.624 1.17 . . . . 0.0 112.472 -173.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.65 -39.67 94.11 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.864 0.756 . . . . 0.0 112.127 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -46.89 72.72 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.825 1.25 . . . . 0.0 110.202 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -62.66 -44.65 95.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.413 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.6 m -56.33 -41.26 75.77 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 123.975 0.91 . . . . 0.0 111.62 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -64.06 -47.6 79.51 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.271 0.941 . . . . 0.0 112.162 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 mt -58.6 -44.32 89.82 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.836 0.827 . . . . 0.0 112.986 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -63.74 -38.1 89.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.815 2.446 . . . . 0.0 111.793 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -62.54 -47.21 84.89 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.671 1.188 . . . . 0.0 111.448 169.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -66.47 -34.86 78.88 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.145 -0.972 . . . . 0.0 112.898 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.72 67.79 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 119.061 0.846 . . . . 0.0 113.151 168.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -81.66 -35.13 30.29 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.702 2.001 . . . . 0.0 114.03 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.08 -51.86 34.41 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.528 1.058 . . . . 0.0 111.549 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.6 p -61.73 -174.94 0.05 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.162 0.585 . . . . 0.0 110.241 156.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -121.99 75.98 1.26 Allowed 'General case' 0 N--CA 1.474 0.734 0 O-C-N 119.767 -1.833 . . . . 0.0 109.456 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.7 m -131.78 139.28 48.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.449 -154.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -78.78 143.16 36.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.467 1.107 . . . . 0.0 110.637 170.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.64 129.02 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.179 1.392 . . . . 0.0 110.013 172.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -123.69 106.02 10.18 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.738 1.215 . . . . 0.0 110.918 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -78.71 82.54 4.93 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.754 1.222 . . . . 0.0 111.268 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 CA--C 1.52 -0.197 0 C-N-CA 123.514 0.726 . . . . 0.0 111.653 -167.128 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 tp . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.77 -31.67 2.75 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.739 1.161 . . . . 0.0 113.827 163.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -56.71 -52.25 65.66 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.431 1.492 . . . . 0.0 111.419 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.56 -38.68 80.95 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -172.245 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.637 0.732 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.406 ' C ' ' HG ' ' A' ' 91' ' ' SER . 21.6 t -130.86 155.43 41.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 126.758 2.023 . . . . 0.0 107.804 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.406 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 6.9 m -148.25 151.41 35.4 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 120.133 -1.604 . . . . 0.0 111.056 164.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.2 mm -121.1 137.07 56.01 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 C-N-CA 125.763 1.625 . . . . 0.0 110.008 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mp -119.96 -41.58 2.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.424 1.89 . . . . 0.0 112.655 -170.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.8 100.64 4.37 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.337 1.055 . . . . 0.0 109.456 169.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.09 66.85 1.69 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.456 0.646 . . . . 0.0 111.269 173.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.21 27.5 0.32 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.416 1.484 . . . . 0.0 115.894 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -137.86 -78.3 0.37 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.028 1.414 . . . . 0.0 110.091 -170.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -108.68 163.42 13.26 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 123.073 1.416 . . . . 0.0 111.953 159.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -52.44 7.2 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.919 1 C-N-CA 134.448 5.099 . . . . 0.0 118.57 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.7 tt -50.83 -47.15 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 121.102 1.774 . . . . 0.0 112.532 -161.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.311 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -174.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 119.001 -0.523 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -51.76 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 123.961 0.904 . . . . 0.0 111.817 176.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -59.92 -50.43 73.8 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.168 0.895 . . . . 0.0 110.629 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -59.02 5.85 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.368 1.067 . . . . 0.0 111.878 172.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -58.45 -42.75 88.09 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.986 1.315 . . . . 0.0 111.42 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -69.41 -42.27 75.3 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.919 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.81 97.87 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.182 1.355 . . . . 0.0 111.925 172.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.75 -43.6 80.91 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.915 0.886 . . . . 0.0 110.89 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.2 t -59.77 -57.29 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.964 0.906 . . . . 0.0 111.875 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.3 -29.76 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.713 1.605 . . . . 0.0 113.248 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -23.87 12.55 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 171.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 p -154.68 -15.61 0.12 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 165.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.37 158.03 43.22 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-N 120.008 1.276 . . . . 0.0 112.556 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -89.04 111.66 22.44 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.856 -0.791 . . . . 0.0 111.869 -167.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -115.24 171.45 7.68 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.489 1.516 . . . . 0.0 113.662 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.4 t -143.93 151.61 40.01 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.741 2.016 . . . . 0.0 110.714 171.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -139.49 134.39 32.21 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.538 1.535 . . . . 0.0 112.961 -171.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.66 146.92 20.33 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 124.054 0.835 . . . . 0.0 111.878 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -54.48 -50.96 66.52 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.047 0.939 . . . . 0.0 113.23 -164.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.46 -46.35 76.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.21 1.004 . . . . 0.0 112.036 175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -62.9 -48.12 80.35 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 126.942 2.097 . . . . 0.0 112.822 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.275 8.0 t -59.98 -65.37 0.69 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-O 116.197 -1.858 . . . . 0.0 109.303 168.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.3 t -45.35 -48.9 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 121.642 2.019 . . . . 0.0 113.203 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -48.15 -60.89 2.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.639 1.175 . . . . 0.0 111.19 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 m -59.76 -35.84 75.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.272 1.429 . . . . 0.0 113.649 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.33 -40.92 61.89 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.361 0.665 . . . . 0.0 111.23 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -68.07 -28.23 67.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.372 1.069 . . . . 0.0 112.762 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -68.95 -3.19 11.89 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.648 1.179 . . . . 0.0 113.461 162.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.66 4.02 74.51 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.397 1.475 . . . . 0.0 114.716 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 0.86 23.04 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -152.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.7 p -68.31 168.9 11.55 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.877 0.871 . . . . 0.0 112.249 164.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -136.45 -16.86 1.55 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 158.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -140.88 133.37 28.48 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.244 1.017 . . . . 0.0 109.993 171.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.6 pt -111.41 148.16 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.718 1.207 . . . . 0.0 111.904 168.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.4 mm -119.22 139.77 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.865 1.266 . . . . 0.0 109.331 170.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.39 85.0 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.556 0.742 . . . . 0.0 109.107 167.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.3 53.05 0.95 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.221 1.808 . . . . 0.0 110.017 166.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.5 137.72 21.84 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.958 1.703 . . . . 0.0 108.408 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -65.05 83.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 122.651 1.215 . . . . 0.0 112.481 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.1 m -106.5 109.47 63.15 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 128.037 2.535 . . . . 0.0 110.48 -163.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.76 165.42 29.69 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.575 2.183 . . . . 0.0 112.979 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.8 t -51.5 -52.66 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.371 1.468 . . . . 0.0 113.551 -165.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.24 -37.95 87.39 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.11 0.868 . . . . 0.0 112.075 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -47.51 69.11 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.813 1.645 . . . . 0.0 110.406 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -62.92 -46.28 88.55 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 t -59.53 -33.3 71.21 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.309 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -67.65 -48.84 65.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.489 1.041 . . . . 0.0 111.273 172.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.13 -44.07 87.58 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.057 0.844 . . . . 0.0 112.537 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -61.09 -42.36 98.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.652 2.381 . . . . 0.0 111.417 176.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.65 -48.29 82.25 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.769 1.228 . . . . 0.0 111.701 169.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -65.77 -38.55 89.37 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.273 -0.892 . . . . 0.0 112.933 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.0 -46.85 81.98 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.707 1.14 . . . . 0.0 111.962 170.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.9 ttp -58.59 -40.42 83.18 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.307 1.443 . . . . 0.0 112.607 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.33 -66.14 0.58 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.492 1.042 . . . . 0.0 111.601 172.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.5 p -71.47 46.29 0.11 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 129.459 3.103 . . . . 0.0 114.38 -169.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -31.51 96.06 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.78 1.632 . . . . 0.0 112.184 -134.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -133.16 142.55 48.7 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.453 2.301 . . . . 0.0 109.801 -162.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -78.82 150.36 32.32 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.974 -0.454 . . . . 0.0 110.892 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -105.97 148.97 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 125.388 1.475 . . . . 0.0 110.429 172.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -139.04 110.8 7.15 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.059 1.344 . . . . 0.0 111.386 166.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -79.81 130.5 35.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.309 0.644 . . . . 0.0 111.275 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.539 0.525 0 C-N-CA 124.414 1.086 . . . . 0.0 110.472 -177.074 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 tp . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.83 -38.52 23.32 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.978 0.799 . . . . 0.0 112.662 165.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 m -48.65 -44.29 37.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.826 1.651 . . . . 0.0 111.64 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.68 -67.67 0.51 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.143 0.977 . . . . 0.0 111.556 168.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -154.05 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.0 t -127.85 157.93 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.22 1.408 . . . . 0.0 109.538 -166.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.1 m -146.0 156.48 43.53 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 120.429 -1.419 . . . . 0.0 111.213 156.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.6 mm -117.57 126.93 75.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 126.647 1.979 . . . . 0.0 108.161 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.98 -43.16 5.86 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.442 2.297 . . . . 0.0 111.788 -170.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -139.02 110.67 7.1 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.124 1.37 . . . . 0.0 109.396 171.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.5 56.31 0.25 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.579 0.752 . . . . 0.0 111.852 167.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.56 31.6 0.59 Allowed Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.501 1.524 . . . . 0.0 113.741 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -148.52 -95.91 0.08 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.097 1.759 . . . . 0.0 109.429 -170.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.5 t -109.17 154.49 22.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 123.764 1.745 . . . . 0.0 112.638 168.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.32 18.68 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.957 1 C-N-CA 136.968 6.107 . . . . 0.0 118.707 -176.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 tt -49.37 -51.04 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 121.367 1.894 . . . . 0.0 113.397 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.328 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.727 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -56.1 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 118.218 -0.896 . . . . 0.0 112.69 -165.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -62.37 -55.09 31.34 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.716 1.144 . . . . 0.0 110.767 -169.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.06 -57.37 11.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.227 1.811 . . . . 0.0 111.931 172.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.68 -30.44 69.11 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.944 -172.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.82 -43.6 79.23 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.808 0.731 . . . . 0.0 110.693 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.5 93.54 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.987 0.812 . . . . 0.0 112.126 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.72 -38.41 75.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.877 0.871 . . . . 0.0 111.349 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.66 -54.93 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.082 1.353 . . . . 0.0 112.652 167.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.6 mt -55.82 -20.45 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.775 1.63 . . . . 0.0 113.642 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -48.06 -37.47 15.12 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.717 1.607 . . . . 0.0 113.844 167.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 p -149.21 -1.42 0.47 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.31 -165.93 28.23 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.345 1.45 . . . . 0.0 113.447 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.43 117.32 20.36 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.529 -0.983 . . . . 0.0 111.766 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -131.18 175.74 8.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.185 2.194 . . . . 0.0 112.724 -172.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 t -146.99 150.6 35.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.061 1.745 . . . . 0.0 110.511 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -136.76 129.67 30.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.803 1.641 . . . . 0.0 112.544 -171.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.25 150.65 26.95 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.671 1.129 . . . . 0.0 112.557 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.21 -58.38 7.94 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.922 0.889 . . . . 0.0 113.179 -164.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.17 -41.68 75.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.956 0.903 . . . . 0.0 111.946 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -58.1 -56.93 15.63 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.605 1.562 . . . . 0.0 111.408 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.262 9.9 t -60.37 -52.55 64.76 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.416 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -48.8 -50.91 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 121.669 2.032 . . . . 0.0 112.57 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -54.79 -53.06 60.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.562 0.745 . . . . 0.0 111.634 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -58.29 -52.47 65.46 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.697 1.599 . . . . 0.0 112.333 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.63 -34.67 77.51 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.227 1.411 . . . . 0.0 112.015 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -78.06 -29.2 49.12 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.035 0.934 . . . . 0.0 113.208 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -105.59 -14.51 15.26 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.08 168.59 28.23 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 120.436 1.471 . . . . 0.0 114.862 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HZ3' ' CD ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -75.03 83.13 2.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.989 1.315 . . . . 0.0 110.76 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.5 p -68.9 161.66 28.27 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 122.106 -0.371 . . . . 0.0 111.355 158.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -136.02 -22.54 1.38 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 169.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -143.27 125.72 15.74 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.798 0.726 . . . . 0.0 110.365 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.22 140.78 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.953 0.901 . . . . 0.0 111.302 166.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.4 mm -110.26 135.34 49.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 124.353 1.061 . . . . 0.0 108.474 169.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.3 mt -119.76 83.29 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 171.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.89 50.03 1.09 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.735 1.614 . . . . 0.0 110.397 168.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.3 144.58 40.51 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 125.894 1.678 . . . . 0.0 107.437 172.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -76.86 85.23 3.43 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.969 0.89 . . . . 0.0 109.93 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.7 m -105.85 113.65 63.6 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.395 1.478 . . . . 0.0 111.154 -152.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.28 161.35 46.33 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.793 2.328 . . . . 0.0 112.763 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.12 -58.74 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.349 1.86 . . . . 0.0 113.493 -165.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.97 -35.78 77.68 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.619 0.645 . . . . 0.0 112.426 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -50.23 27.35 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.048 1.339 . . . . 0.0 110.461 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -58.26 -48.83 79.19 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.9 m -76.19 -17.07 59.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 118.158 -0.925 . . . . 0.0 113.261 -171.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -66.44 -47.29 73.64 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.012 1.278 . . . . 0.0 111.196 161.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.59 -42.73 97.31 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.311 0.959 . . . . 0.0 112.575 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -57.42 -41.66 80.81 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.471 2.308 . . . . 0.0 110.81 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -62.59 -48.92 77.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.986 1.315 . . . . 0.0 112.011 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -62.79 -41.93 99.48 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.08 0.855 . . . . 0.0 112.014 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.06 -44.71 79.15 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.501 0.72 . . . . 0.0 112.353 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -60.1 -41.88 93.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.816 1.247 . . . . 0.0 112.446 172.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.5 -75.06 0.09 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.293 1.037 . . . . 0.0 112.016 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 p -80.07 79.79 6.57 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.897 1.279 . . . . 0.0 109.531 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -36.87 95.7 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.675 2.79 . . . . 0.0 114.269 -155.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.1 m -136.1 142.98 44.35 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.871 2.068 . . . . 0.0 110.494 -166.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -79.84 143.44 34.36 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.922 -0.486 . . . . 0.0 110.878 172.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.7 t -102.45 132.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 125.824 1.65 . . . . 0.0 109.547 173.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -127.23 107.09 9.7 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.222 1.009 . . . . 0.0 111.596 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -79.67 119.34 22.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.868 1.267 . . . . 0.0 111.208 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 125.211 1.404 . . . . 0.0 110.888 -172.27 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.0 tp . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.27 -30.83 49.13 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.995 -1.065 . . . . 0.0 112.676 168.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 m -51.2 -41.02 59.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.608 1.563 . . . . 0.0 111.063 171.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.33 -68.9 0.51 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.277 1.031 . . . . 0.0 111.677 166.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -152.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 121.504 0.668 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.413 ' C ' ' HG ' ' A' ' 91' ' ' SER . 30.4 t -134.47 157.07 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 125.5 1.52 . . . . 0.0 108.885 -166.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.413 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 5.9 m -147.49 155.12 41.58 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 120.315 -1.491 . . . . 0.0 111.402 162.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.0 mm -120.57 129.13 75.93 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 C-N-CA 126.621 1.968 . . . . 0.0 108.836 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.77 -63.87 1.11 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.48 1.912 . . . . 0.0 109.532 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.422 ' CD ' ' HZ3' ' A' ' 38' ' ' LYS . 17.0 mm-40 -117.34 103.31 10.02 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 124.395 1.078 . . . . 0.0 109.541 -177.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.21 56.08 0.46 Allowed 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.615 -0.678 . . . . 0.0 111.219 166.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.06 38.14 0.79 Allowed Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.815 1.674 . . . . 0.0 113.644 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -145.94 -93.65 0.09 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.138 1.775 . . . . 0.0 109.264 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -109.94 177.11 4.82 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 123.243 1.497 . . . . 0.0 113.107 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -53.81 -6.03 0.08 Allowed 'General case' 0 CA--C 1.543 0.708 1 C-N-CA 134.012 4.925 . . . . 0.0 121.36 -168.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . 0.252 13.1 tt -48.21 -59.47 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 123.401 2.819 . . . . 0.0 114.982 -154.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.298 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 116.758 2.133 . . . . 0.0 116.758 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 m . . . . . 0 CA--C 1.517 -0.302 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -47.74 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.962 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -54.08 -57.81 9.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.294 0.952 . . . . 0.0 112.198 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -53.66 -58.53 6.87 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.799 1.639 . . . . 0.0 111.848 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.93 -37.48 82.46 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.798 1.239 . . . . 0.0 111.545 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.99 -42.16 81.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.136 -0.935 . . . . 0.0 112.158 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.49 87.96 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.793 1.178 . . . . 0.0 111.942 173.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -53.99 -42.16 68.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.369 1.468 . . . . 0.0 111.934 173.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 t -60.02 -62.71 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.994 1.317 . . . . 0.0 111.303 166.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.84 -32.71 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.765 1.626 . . . . 0.0 113.702 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -28.79 8.2 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.079 1.352 . . . . 0.0 114.431 171.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p -144.92 -6.68 0.67 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.54 -165.56 33.12 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 127.058 2.266 . . . . 0.0 113.979 175.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.95 113.41 13.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.411 1.085 . . . . 0.0 110.072 -176.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -131.34 174.37 10.13 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.619 1.568 . . . . 0.0 113.656 -170.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -145.86 155.13 42.69 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.698 1.999 . . . . 0.0 111.131 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -140.81 127.06 19.71 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.847 1.659 . . . . 0.0 113.396 -167.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.49 151.1 25.39 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.443 1.021 . . . . 0.0 112.758 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -50.52 -58.47 5.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.742 1.217 . . . . 0.0 112.998 -164.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.12 -44.51 79.22 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.746 0.818 . . . . 0.0 112.299 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -60.7 -50.24 74.28 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 126.588 1.955 . . . . 0.0 112.625 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.264 10.0 t -60.84 -62.03 2.15 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 116.668 -1.634 . . . . 0.0 108.856 170.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.9 t -48.21 -46.46 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 121.405 1.911 . . . . 0.0 113.555 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -57.4 9.02 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.346 1.058 . . . . 0.0 111.119 169.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.3 m -64.63 -31.51 72.77 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.178 1.391 . . . . 0.0 113.849 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.6 mt -74.21 -39.18 63.29 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.891 0.877 . . . . 0.0 110.817 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -65.18 -24.01 67.26 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.94 0.896 . . . . 0.0 112.833 171.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -72.5 -1.99 17.95 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 163.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.18 -33.25 0.94 Allowed Glycine 0 CA--C 1.534 1.246 0 C-N-CA 126.675 2.083 . . . . 0.0 116.169 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -83.24 8.25 13.9 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.202 1.801 . . . . 0.0 115.233 -169.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.8 p -62.12 173.38 1.13 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.457 1.503 . . . . 0.0 112.03 165.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.77 -26.31 0.19 Allowed 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.16 128.93 15.25 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.72 1.208 . . . . 0.0 110.028 169.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.3 pt -104.49 142.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.551 1.141 . . . . 0.0 111.667 168.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.1 mm -115.6 137.02 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.626 1.17 . . . . 0.0 108.441 167.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.4 mt -119.5 86.14 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.44 12.49 34.85 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.773 1.629 . . . . 0.0 112.066 164.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.82 152.56 24.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.652 1.181 . . . . 0.0 111.161 169.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -73.3 76.35 1.34 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.498 1.519 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -106.6 104.84 52.7 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 125.574 1.55 . . . . 0.0 111.75 -157.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.89 164.23 35.44 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.228 1.952 . . . . 0.0 112.05 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.3 t -50.85 -50.27 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.622 1.569 . . . . 0.0 113.088 -168.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.78 -47.4 84.86 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.804 -0.56 . . . . 0.0 111.036 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -42.51 95.14 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.353 1.461 . . . . 0.0 110.801 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -64.76 -43.53 93.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.917 0.781 . . . . 0.0 109.198 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.0 p -57.28 -35.36 69.7 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.38 0.672 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.37 -44.92 74.16 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.362 0.665 . . . . 0.0 111.605 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -57.75 -44.31 86.02 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 172.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.34 -40.81 98.33 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.492 2.317 . . . . 0.0 110.979 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.99 -47.39 86.69 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.482 1.513 . . . . 0.0 111.748 170.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.88 -39.09 92.99 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.042 -1.036 . . . . 0.0 112.659 174.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.11 -36.73 71.0 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.969 0.908 . . . . 0.0 112.854 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 59.1 ttp -73.46 -41.15 63.55 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.448 1.899 . . . . 0.0 113.644 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.49 -60.79 2.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.714 1.206 . . . . 0.0 111.109 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.2 p -58.23 176.59 0.16 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.088 0.955 . . . . 0.0 110.62 162.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -112.24 75.54 0.92 Allowed 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.036 -1.665 . . . . 0.0 108.998 179.455 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.2 m -135.98 129.15 31.65 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 113.935 -1.484 . . . . 0.0 111.472 -156.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -78.53 157.36 28.85 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.368 1.067 . . . . 0.0 110.91 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.99 142.69 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.559 1.143 . . . . 0.0 111.244 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -139.34 156.41 47.04 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.616 1.166 . . . . 0.0 112.641 168.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -130.07 120.1 24.12 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.715 1.606 . . . . 0.0 111.123 -172.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 123.607 0.763 . . . . 0.0 111.948 -167.382 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 119.654 -0.212 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.03 -22.81 29.58 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.553 0.597 . . . . 0.0 113.486 164.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.7 m -97.2 -23.02 16.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.904 1.281 . . . . 0.0 111.71 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.2 -48.74 66.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.03 0.932 . . . . 0.0 111.616 165.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.473 0.689 0 C-N-CA 122.806 0.443 . . . . 0.0 111.017 173.247 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.467 0.401 0 CA-C-O 121.851 0.834 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.406 ' C ' ' HG ' ' A' ' 91' ' ' SER . 26.4 t -127.38 157.07 39.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 126.446 1.899 . . . . 0.0 107.868 -175.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.406 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 12.0 m -146.65 150.14 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 119.947 -1.721 . . . . 0.0 110.373 160.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.5 mm -113.43 131.22 65.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 C-N-CA 126.217 1.807 . . . . 0.0 107.801 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.53 -54.14 3.91 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.621 1.568 . . . . 0.0 109.309 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -134.13 122.03 22.3 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.727 1.211 . . . . 0.0 110.911 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.08 75.01 5.61 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.775 1.23 . . . . 0.0 111.514 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.68 39.29 0.38 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.267 1.413 . . . . 0.0 115.676 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -154.1 -90.07 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.819 1.647 . . . . 0.0 109.541 162.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.3 t -107.09 158.39 17.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.053 1.341 . . . . 0.0 112.242 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.95 34.35 0.19 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.687 1.995 . . . . 0.0 116.274 -152.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.8 tt -52.59 -35.3 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -167.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.411 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 171.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.81 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 C-N-CA 125.679 1.592 . . . . 0.0 110.694 175.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -62.53 -55.16 30.03 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.773 0.715 . . . . 0.0 110.777 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -62.22 -46.57 88.28 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.216 0.606 . . . . 0.0 111.96 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -68.59 -37.17 79.6 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.446 0.566 . . . . 0.0 112.457 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.91 -36.64 82.73 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.233 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.31 96.9 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.645 1.111 . . . . 0.0 112.206 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.3 -46.76 76.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.186 0.994 . . . . 0.0 110.44 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.3 -60.87 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.301 1.041 . . . . 0.0 111.771 168.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.41 HG21 ' CE1' ' A' ' 23' ' ' TYR . 4.1 mt -55.02 -24.33 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.716 1.606 . . . . 0.0 113.849 -176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -49.95 -34.73 21.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.07 1.348 . . . . 0.0 113.737 171.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.8 p -149.29 -5.03 0.39 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.577 2.065 . . . . 0.0 116.577 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.31 178.08 53.06 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.846 1.212 . . . . 0.0 113.08 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.42 109.6 21.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.611 1.564 . . . . 0.0 110.446 -173.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.41 ' CE1' HG21 ' A' ' 18' ' ' ILE . 41.5 p90 -123.75 168.36 12.81 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.098 1.759 . . . . 0.0 112.913 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -141.94 152.16 43.24 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.332 1.853 . . . . 0.0 110.733 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -137.14 118.93 15.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.853 1.261 . . . . 0.0 113.326 -162.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.53 160.85 36.91 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.647 1.118 . . . . 0.0 113.676 174.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.98 -62.39 1.69 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.45 1.1 . . . . 0.0 113.738 -163.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -54.31 -46.36 72.79 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.932 0.893 . . . . 0.0 111.928 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -55.08 -55.07 35.13 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.166 1.786 . . . . 0.0 111.815 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -65.61 -46.91 77.5 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 116.183 -1.865 . . . . 0.0 109.858 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -52.37 -51.08 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 122.88 2.582 . . . . 0.0 111.417 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -50.06 -48.48 52.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.85 1.26 . . . . 0.0 112.301 170.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -71.26 -46.01 61.91 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.308 1.443 . . . . 0.0 113.029 -175.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.42 -17.44 64.78 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.612 1.965 . . . . 0.0 112.069 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -52.1 5.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.517 1.527 . . . . 0.0 113.042 164.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -100.25 0.05 39.55 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -165.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.28 165.97 27.3 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 120.292 1.405 . . . . 0.0 114.288 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 70.71 4.43 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.237 1.415 . . . . 0.0 111.377 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.0 p -64.42 150.6 46.11 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.516 -0.74 . . . . 0.0 112.173 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -138.42 -22.44 1.01 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -144.77 130.08 18.72 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.21 1.404 . . . . 0.0 110.199 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 pt -109.71 124.38 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.069 1.348 . . . . 0.0 110.968 165.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.4 mm -89.84 123.71 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 124.588 1.155 . . . . 0.0 107.922 162.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mt -109.92 108.75 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 166.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.0 51.2 1.68 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.276 2.231 . . . . 0.0 110.735 -176.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 48' ' ' THR . . . -142.07 169.38 17.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.477 1.511 . . . . 0.0 110.598 -177.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.59 22.1 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 126.504 1.922 . . . . 0.0 113.657 176.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.418 ' H ' ' C ' ' A' ' 46' ' ' ALA . 19.6 m -52.97 109.8 1.65 Allowed Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 129.88 3.272 . . . . 0.0 112.022 -176.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -78.25 173.49 13.79 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.6 2.867 . . . . 0.0 112.794 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -50.61 -48.41 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.354 1.862 . . . . 0.0 114.214 -167.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.92 -45.97 76.25 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.479 1.036 . . . . 0.0 111.09 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -46.14 87.71 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.373 1.869 . . . . 0.0 110.44 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -46.75 86.73 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.255 0.622 . . . . 0.0 110.132 174.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.2 m -59.47 -35.64 74.46 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.178 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -65.66 -47.46 75.45 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.526 1.057 . . . . 0.0 112.368 172.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.77 -41.88 96.4 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.088 -1.007 . . . . 0.0 112.687 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.98 -39.33 89.23 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.96 2.104 . . . . 0.0 111.694 172.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -60.2 -48.71 80.59 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.761 1.225 . . . . 0.0 111.347 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -64.36 -37.72 88.51 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.048 -1.032 . . . . 0.0 112.718 174.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.406 ' HA ' ' HB ' ' A' ' 65' ' ' THR . . . -58.47 -37.04 74.66 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 170.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.9 ttp -77.94 -35.32 50.54 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.892 2.077 . . . . 0.0 113.891 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.5 -56.46 8.3 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.837 1.255 . . . . 0.0 110.802 173.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -60.55 -177.68 0.08 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.044 0.538 . . . . 0.0 110.18 157.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.94 66.18 0.72 Allowed 'General case' 0 N--CA 1.476 0.835 0 O-C-N 119.438 -2.039 . . . . 0.0 109.326 -178.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.406 ' HB ' ' HA ' ' A' ' 60' ' ' ALA . 87.8 m -125.47 130.49 51.92 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.775 1.23 . . . . 0.0 110.388 -156.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.99 149.34 32.27 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.745 -0.597 . . . . 0.0 110.321 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.01 131.94 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.921 1.288 . . . . 0.0 110.63 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -129.92 103.14 6.62 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.671 1.188 . . . . 0.0 111.274 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -79.97 76.49 6.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.734 1.214 . . . . 0.0 112.887 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.55 0.958 0 C-N-CA 125.745 1.618 . . . . 0.0 111.261 170.64 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.66 -42.51 45.0 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 124.11 0.862 . . . . 0.0 113.664 164.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 m -69.04 -16.12 63.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.153 1.381 . . . . 0.0 111.509 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.42 -52.07 5.1 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.484 1.114 . . . . 0.0 112.942 171.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -179.478 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.468 0.439 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.4 t -134.03 109.52 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 126.41 1.884 . . . . 0.0 107.401 -174.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 m -113.19 141.51 46.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.0 mm -116.76 131.51 69.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 C-N-CA 125.258 1.423 . . . . 0.0 108.609 -174.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.44 -60.53 1.55 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.288 1.835 . . . . 0.0 109.88 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.85 108.39 12.94 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.168 1.387 . . . . 0.0 109.114 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.02 -15.0 62.95 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.24 74.42 0.01 OUTLIER Glycine 0 CA--C 1.532 1.099 0 C-N-CA 127.478 2.466 . . . . 0.0 117.8 -148.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -153.39 -56.63 0.12 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.394 2.677 . . . . 0.0 107.033 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -106.68 -164.97 1.04 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.04 0.936 . . . . 0.0 110.108 144.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -105.17 -3.01 23.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -168.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.4 tt -39.09 -39.07 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -137.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.783 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 168.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 118.599 -0.715 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -49.69 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 119.042 0.837 . . . . 0.0 110.62 171.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -57.66 -54.03 51.43 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.936 1.294 . . . . 0.0 111.569 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -52.4 63.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.535 1.934 . . . . 0.0 112.088 174.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 54.4 tttp -64.74 -32.02 73.51 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 118.784 0.72 . . . . 0.0 112.135 176.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.81 -32.22 73.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.41 -1.432 . . . . 0.0 112.656 173.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.1 -38.9 93.0 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.532 1.06 . . . . 0.0 112.575 164.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.19 -28.28 67.83 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.587 0.755 . . . . 0.0 112.081 171.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.39 -65.01 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 119.495 1.043 . . . . 0.0 109.217 163.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 mt -57.33 -19.92 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 125.73 1.612 . . . . 0.0 113.993 -168.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -53.58 -31.63 47.54 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.618 1.099 . . . . 0.0 113.851 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 p -155.92 -5.59 0.12 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -171.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.48 156.82 18.36 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 125.563 1.554 . . . . 0.0 113.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -85.7 112.7 21.28 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.503 0.721 . . . . 0.0 110.988 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -113.08 169.23 9.08 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.583 1.553 . . . . 0.0 112.812 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -141.95 153.46 44.36 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.211 1.804 . . . . 0.0 110.921 172.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.5 mt -134.85 127.21 30.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.629 1.571 . . . . 0.0 113.75 -167.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.45 149.73 10.69 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.272 1.415 . . . . 0.0 112.93 173.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -45.25 -55.93 5.36 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.18 1.792 . . . . 0.0 112.973 -164.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -39.94 -59.92 1.12 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.45 1.9 . . . . 0.0 113.043 171.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -70.16 -43.87 69.97 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 127.856 2.463 . . . . 0.0 112.149 -166.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.256 8.8 t -60.79 -64.74 0.85 Allowed 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 116.216 -1.85 . . . . 0.0 108.64 166.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.0 t -49.26 -45.58 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 121.823 2.102 . . . . 0.0 113.464 -174.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -43.78 -66.07 0.43 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.385 1.474 . . . . 0.0 111.147 164.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 m -62.69 -31.57 72.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.487 1.515 . . . . 0.0 113.873 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.6 -45.86 57.06 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.659 1.184 . . . . 0.0 111.081 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 mtt-85 -62.83 -31.5 72.51 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.241 1.017 . . . . 0.0 112.145 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -72.61 -4.24 29.68 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.565 1.146 . . . . 0.0 114.034 167.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.65 2.56 51.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.324 1.44 . . . . 0.0 115.306 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.28 0.05 57.41 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.628 1.214 . . . . 0.0 113.626 -167.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -69.46 161.4 29.53 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.162 0.985 . . . . 0.0 112.968 166.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -130.95 -16.95 3.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.079 0.951 . . . . 0.0 113.01 158.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.04 138.56 26.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.071 1.348 . . . . 0.0 109.594 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.0 pt -116.64 142.7 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.746 1.218 . . . . 0.0 111.336 165.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.4 mm -117.28 110.76 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 126.248 1.819 . . . . 0.0 109.079 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 mt -99.98 97.46 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.24 17.09 17.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.965 2.106 . . . . 0.0 111.497 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.62 148.61 30.2 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.852 -1.155 . . . . 0.0 108.481 160.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -77.42 87.59 3.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 171.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.7 m -105.07 122.33 43.49 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 126.129 1.772 . . . . 0.0 112.512 -150.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.7 156.83 53.01 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.533 2.155 . . . . 0.0 112.331 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.7 t -50.56 -54.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.827 1.651 . . . . 0.0 113.178 -167.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 99.0 mt -63.37 -22.22 66.75 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -40.69 12.02 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.376 -0.828 . . . . 0.0 110.505 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -58.41 -49.13 78.39 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 169.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.2 m -77.93 -19.75 54.06 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.502 -1.237 . . . . 0.0 113.462 -170.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -67.08 -41.24 86.67 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 120.993 1.724 . . . . 0.0 112.644 160.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.81 -44.0 97.46 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.07 1.304 . . . . 0.0 113.597 172.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -56.15 -44.43 79.25 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.747 2.419 . . . . 0.0 110.269 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -59.99 -46.58 88.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.194 1.398 . . . . 0.0 112.148 171.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.13 -39.23 92.75 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.067 1.303 . . . . 0.0 113.092 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.78 -33.52 68.63 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 170.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.7 ttp -80.29 -36.26 34.67 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.62 1.968 . . . . 0.0 113.92 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.06 -55.35 14.72 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.254 1.422 . . . . 0.0 110.914 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.3 p -61.4 -175.91 0.06 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.239 0.615 . . . . 0.0 110.245 157.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -122.2 89.64 3.15 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.148 -1.595 . . . . 0.0 108.249 172.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 m -143.24 138.52 29.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.132 1.373 . . . . 0.0 110.846 -157.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -78.33 124.0 27.61 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.537 1.135 . . . . 0.0 110.47 174.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.4 t -85.72 127.11 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.156 0.582 . . . . 0.0 110.135 167.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -122.23 120.24 33.56 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.071 0.948 . . . . 0.0 111.952 167.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.14 97.68 9.49 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.551 1.14 . . . . 0.0 110.856 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.4 t80 . . . . . 0 CA--C 1.534 0.338 0 C-N-CA 124.523 1.129 . . . . 0.0 112.498 177.107 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.74 -32.79 8.6 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.987 0.803 . . . . 0.0 112.774 165.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 m -56.62 -48.31 77.75 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.67 1.588 . . . . 0.0 111.987 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.13 84.76 Favored 'General case' 0 C--N 1.341 0.22 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -170.253 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 121.078 0.466 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.41 ' C ' ' HG ' ' A' ' 91' ' ' SER . 25.7 t -114.0 159.26 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.647 1.579 . . . . 0.0 107.398 170.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.41 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 16.9 m -148.89 150.46 33.0 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 119.522 -1.986 . . . . 0.0 109.901 165.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mm -111.93 130.11 66.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 125.196 1.398 . . . . 0.0 109.199 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.16 -45.95 6.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.613 1.965 . . . . 0.0 111.161 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -143.67 116.11 8.57 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.488 1.915 . . . . 0.0 109.324 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.96 76.39 0.64 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.574 1.15 . . . . 0.0 112.648 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.26 58.66 0.42 Allowed Glycine 0 CA--C 1.533 1.17 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 156.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.577 ' CG ' ' H ' ' A' ' 98' ' ' SER . 31.8 t70 -111.84 -120.12 0.29 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.294 2.638 . . . . 0.0 108.599 -169.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.577 ' H ' ' CG ' ' A' ' 97' ' ' ASP . 2.0 t -108.37 -80.77 0.57 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 130.473 3.509 . . . . 0.0 105.218 139.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.47 -14.77 12.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 130.125 3.37 . . . . 0.0 118.832 -169.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.424 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 11.4 tt -38.63 -59.38 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -139.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.352 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -171.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -49.15 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.122 0.969 . . . . 0.0 108.965 173.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -64.68 -50.74 65.83 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.865 1.266 . . . . 0.0 111.86 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -57.27 -52.62 64.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.944 0.898 . . . . 0.0 111.295 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 50.8 tttp -65.6 -33.73 76.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.018 0.927 . . . . 0.0 112.229 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.68 -43.95 71.48 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.825 1.25 . . . . 0.0 111.373 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.74 98.31 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.661 1.118 . . . . 0.0 111.592 172.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tt -53.71 -42.98 68.62 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.257 1.023 . . . . 0.0 111.518 171.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 t -63.63 -53.3 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.223 1.409 . . . . 0.0 112.809 171.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.0 mt -54.9 -19.85 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.648 1.979 . . . . 0.0 113.613 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -48.02 -37.62 15.26 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.816 1.646 . . . . 0.0 113.771 165.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.6 p -150.8 -12.06 0.23 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.43 160.45 45.71 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 119.861 1.209 . . . . 0.0 112.765 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -82.6 110.43 17.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.602 1.161 . . . . 0.0 111.987 -175.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -119.5 175.81 5.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.546 1.539 . . . . 0.0 113.179 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -148.2 147.39 29.36 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.45 1.9 . . . . 0.0 110.487 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.0 mt -132.42 126.42 33.07 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.046 1.339 . . . . 0.0 113.684 -166.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.51 149.46 16.49 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.898 1.237 . . . . 0.0 113.038 175.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -48.87 -55.68 10.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.447 1.499 . . . . 0.0 112.726 -164.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -39.74 -58.58 1.31 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.659 1.983 . . . . 0.0 112.352 170.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -65.96 -53.42 39.3 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.449 1.9 . . . . 0.0 110.775 -170.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -56.44 -58.68 6.97 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 116.84 -1.552 . . . . 0.0 109.528 173.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -49.9 -48.41 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 121.861 2.119 . . . . 0.0 113.097 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -55.16 -51.7 65.65 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.91 0.777 . . . . 0.0 111.916 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 m -60.56 -42.39 96.48 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.854 1.662 . . . . 0.0 113.032 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -71.19 -39.49 71.77 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.613 1.165 . . . . 0.0 111.507 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -73.64 -37.49 65.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 118.368 -0.825 . . . . 0.0 112.409 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -106.12 -13.45 15.44 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -174.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.35 175.08 20.07 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 120.473 1.488 . . . . 0.0 115.52 -168.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.93 53.34 1.38 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.378 1.871 . . . . 0.0 113.23 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.3 p -56.18 131.16 47.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.738 1.215 . . . . 0.0 113.251 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -113.86 -34.27 5.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -144.58 135.08 24.56 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.238 1.415 . . . . 0.0 109.652 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.0 pt -113.7 131.26 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.705 0.802 . . . . 0.0 111.266 170.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.2 mm -96.21 127.24 48.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 125.75 1.62 . . . . 0.0 107.746 170.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.448 ' CG2' ' HG1' ' A' ' 48' ' ' THR . 35.2 mt -123.82 90.02 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 170.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.46 61.99 0.64 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.725 1.61 . . . . 0.0 110.881 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.22 165.38 27.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.248 1.019 . . . . 0.0 110.984 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.2 53.84 0.84 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.618 1.167 . . . . 0.0 110.747 170.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.448 ' HG1' ' CG2' ' A' ' 44' ' ' ILE . 2.9 m -70.12 117.98 59.45 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 126.255 1.822 . . . . 0.0 113.474 -162.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.77 149.19 51.64 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.242 2.628 . . . . 0.0 113.122 171.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.6 t -53.63 -51.0 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.065 1.346 . . . . 0.0 112.747 -172.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.96 -21.19 66.8 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -43.84 10.22 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.229 -0.92 . . . . 0.0 110.041 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -50.45 73.35 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 118.699 -0.667 . . . . 0.0 109.444 170.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 m -72.66 -21.44 61.08 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -65.99 -42.29 89.96 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 121.562 1.983 . . . . 0.0 112.318 163.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.11 -41.78 99.43 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.795 -1.19 . . . . 0.0 113.255 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -56.79 -43.08 80.55 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 127.029 2.132 . . . . 0.0 111.281 171.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -57.97 -51.09 71.08 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.446 1.099 . . . . 0.0 111.39 170.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -63.45 -35.02 79.06 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.365 -0.834 . . . . 0.0 113.157 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.31 99.11 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.496 1.043 . . . . 0.0 113.21 167.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -60.23 -22.72 63.37 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.365 1.866 . . . . 0.0 113.202 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.1 mt -63.39 82.63 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 122.568 1.175 . . . . 0.0 109.404 158.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.8 p -61.23 23.82 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 130.81 3.644 . . . . 0.0 119.608 -136.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -65.47 -19.73 66.06 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.823 1.649 . . . . 0.0 112.627 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.8 m -133.69 160.16 38.38 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.194 -0.941 . . . . 0.0 112.897 -146.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.62 163.7 22.86 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.629 1.172 . . . . 0.0 111.49 169.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.5 t -117.55 137.87 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.817 1.647 . . . . 0.0 111.022 -172.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -132.35 100.76 5.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.906 1.282 . . . . 0.0 111.022 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -79.13 116.14 19.23 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.494 1.518 . . . . 0.0 110.831 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.469 0.494 0 C-N-CA 124.875 1.27 . . . . 0.0 111.277 -164.834 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.82 -16.85 53.08 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-O 119.038 -0.868 . . . . 0.0 114.441 164.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -80.12 -18.1 50.76 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.622 1.711 . . . . 0.0 111.438 168.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.13 -45.83 8.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.747 1.219 . . . . 0.0 113.317 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -169.588 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.235 0.291 0 CA-C-O 121.748 0.785 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.416 ' C ' ' HG ' ' A' ' 91' ' ' SER . 85.0 t -137.47 159.79 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 125.58 1.552 . . . . 0.0 107.972 -174.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.416 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 14.8 m -149.79 156.1 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 119.361 -2.087 . . . . 0.0 110.531 171.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.8 mm -123.61 138.35 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.066 1.746 . . . . 0.0 109.011 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.23 -67.4 0.99 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.393 1.477 . . . . 0.0 110.266 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -114.79 92.76 4.05 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.475 1.51 . . . . 0.0 109.06 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.4 52.62 0.19 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.808 1.243 . . . . 0.0 112.385 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.17 41.21 0.9 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 126.251 1.881 . . . . 0.0 114.115 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -142.51 -83.42 0.18 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.811 1.644 . . . . 0.0 109.353 -173.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 t -108.8 152.33 25.02 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 123.379 1.561 . . . . 0.0 112.06 161.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -52.0 3.86 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.836 1 C-N-CA 136.354 5.862 . . . . 0.0 117.719 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.432 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 16.2 tt -46.84 -43.83 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -158.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.305 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -170.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -37.73 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -46.46 75.11 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.734 1.614 . . . . 0.0 112.167 177.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.92 -54.29 37.01 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.813 0.845 . . . . 0.0 109.979 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HZ2' ' CG ' ' A' ' 99' ' ' ASP . 61.6 tttp -59.6 -42.67 93.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.815 0.846 . . . . 0.0 111.475 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.14 -49.9 65.85 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.739 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -37.61 84.65 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 120.607 1.549 . . . . 0.0 112.444 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.69 -44.47 77.4 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 123.862 0.865 . . . . 0.0 111.119 169.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.7 -47.99 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.685 1.194 . . . . 0.0 112.791 174.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.3 mm -50.94 -28.74 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.716 2.006 . . . . 0.0 113.184 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -57.96 -24.5 58.25 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 p -140.76 -17.31 0.86 Allowed 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.226 1.935 . . . . 0.0 116.226 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.07 148.3 26.88 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 119.535 1.061 . . . . 0.0 113.747 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -79.0 113.36 17.07 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.221 1.008 . . . . 0.0 111.577 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -119.08 169.21 10.12 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -140.86 147.56 39.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 127.217 2.207 . . . . 0.0 109.725 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.0 mt -136.01 130.53 33.69 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.704 1.202 . . . . 0.0 113.993 -168.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.64 155.57 27.32 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.564 1.078 . . . . 0.0 112.933 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -52.54 -60.62 3.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.649 1.18 . . . . 0.0 113.38 -162.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.66 -43.73 76.56 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.978 0.911 . . . . 0.0 112.543 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.52 -55.95 28.48 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.65 1.58 . . . . 0.0 111.754 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -61.71 -53.51 55.11 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 116.919 -1.515 . . . . 0.0 109.469 175.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.6 t -47.25 -49.62 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 121.83 2.105 . . . . 0.0 112.429 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -54.36 -56.14 21.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.93 0.892 . . . . 0.0 112.026 170.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -58.36 -41.75 85.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.27 1.828 . . . . 0.0 113.527 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.9 mt -73.63 -38.24 65.09 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.478 1.511 . . . . 0.0 111.44 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -68.31 -23.04 64.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.601 0.637 . . . . 0.0 112.446 172.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.9 3.33 8.4 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.823 1.249 . . . . 0.0 113.822 162.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.6 -40.97 2.48 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.778 1.656 . . . . 0.0 116.343 158.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.18 7.68 4.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -168.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.4 p -65.67 159.66 24.45 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.204 1.365 . . . . 0.0 112.187 174.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -134.42 -21.53 1.78 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -142.43 132.61 24.69 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.261 1.024 . . . . 0.0 110.832 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.8 pt -113.77 138.56 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.733 1.213 . . . . 0.0 111.228 163.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.8 mm -112.2 119.6 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.017 1.327 . . . . 0.0 108.184 169.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.6 mt -100.87 110.41 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 171.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.12 59.48 0.94 Allowed 'General case' 0 C--N 1.344 0.334 0 C-N-CA 125.796 1.638 . . . . 0.0 111.923 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.7 150.83 37.98 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 126.053 1.741 . . . . 0.0 109.256 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -68.85 77.45 0.31 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.289 1.436 . . . . 0.0 109.323 174.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 84.0 m -97.68 118.13 64.49 Favored Pre-proline 0 N--CA 1.47 0.565 0 C-N-CA 125.119 1.367 . . . . 0.0 111.153 -154.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.83 146.37 36.28 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.114 2.543 . . . . 0.0 113.036 173.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.67 -46.42 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.281 1.032 . . . . 0.0 111.908 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.87 -48.98 76.88 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.1 0.56 . . . . 0.0 111.524 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -49.13 77.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.389 1.876 . . . . 0.0 110.737 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -61.6 -44.51 96.86 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.334 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 p -57.88 -34.99 70.37 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.541 0.736 . . . . 0.0 112.712 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.88 -46.6 71.2 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.307 0.958 . . . . 0.0 111.192 174.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.64 -41.12 94.31 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.512 -0.743 . . . . 0.0 112.854 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.89 -39.46 94.55 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.116 2.566 . . . . 0.0 111.502 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -61.82 -47.44 85.07 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.312 1.445 . . . . 0.0 111.708 169.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -65.69 -37.45 86.5 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.051 -1.03 . . . . 0.0 112.85 174.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.97 -36.78 70.74 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 170.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.9 ttp -76.82 -34.74 57.89 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.728 2.011 . . . . 0.0 114.078 175.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.22 -52.64 25.74 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.938 1.295 . . . . 0.0 111.557 173.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.5 p -61.15 -173.07 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.125 0.97 . . . . 0.0 110.437 156.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -120.9 62.83 0.87 Allowed 'General case' 0 N--CA 1.479 1.022 0 O-C-N 119.372 -2.08 . . . . 0.0 110.094 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.4 m -114.42 135.62 53.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.644 -159.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -78.27 128.37 33.62 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.46 130.66 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 167.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -127.13 144.21 51.09 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.789 0.836 . . . . 0.0 110.765 170.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -115.3 108.11 16.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.979 1.312 . . . . 0.0 109.304 -177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.425 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 CA--C 1.54 0.589 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.9 -41.2 20.54 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-N 120.488 1.495 . . . . 0.0 110.836 157.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.1 m -47.41 -38.18 12.83 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.711 2.405 . . . . 0.0 114.563 166.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.31 -51.98 13.59 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.632 1.105 . . . . 0.0 111.529 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -159.176 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.467 0.392 0 CA-C-O 121.37 0.605 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.403 ' C ' ' HG ' ' A' ' 91' ' ' SER . 24.1 t -113.2 153.64 14.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 126.943 2.097 . . . . 0.0 107.604 172.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.403 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 4.8 m -144.89 154.05 42.21 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 120.14 -1.6 . . . . 0.0 110.592 159.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 mm -124.43 137.49 57.08 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 125.155 1.382 . . . . 0.0 109.315 -177.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.86 -50.15 2.7 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.015 1.726 . . . . 0.0 112.291 -169.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.42 93.83 2.94 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.961 1.305 . . . . 0.0 110.2 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.09 84.23 1.8 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.033 -0.417 . . . . 0.0 109.941 164.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.24 39.93 0.46 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.429 1.014 . . . . 0.0 112.606 166.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -153.86 -148.42 0.25 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.005 2.122 . . . . 0.0 108.793 -156.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -56.78 147.66 22.52 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 124.301 2.0 . . . . 0.0 111.548 166.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.437 ' CG ' ' HZ2' ' A' ' 13' ' ' LYS . 7.9 p-10 -51.87 4.22 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.651 1 C-N-CA 135.494 5.518 . . . . 0.0 117.574 -178.684 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.5 tt -49.65 -47.79 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 120.549 1.522 . . . . 0.0 113.625 -163.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 117.568 -1.206 . . . . 0.0 113.519 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -43.19 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 120.405 1.457 . . . . 0.0 110.591 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -54.26 -57.05 12.66 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.2 1.0 . . . . 0.0 111.312 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -54.75 -55.74 26.71 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.6 1.96 . . . . 0.0 111.431 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -63.18 -36.47 83.72 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.4 1.48 . . . . 0.0 111.982 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.66 -38.28 83.58 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.718 0.69 . . . . 0.0 111.614 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.65 83.0 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.188 0.904 . . . . 0.0 112.458 169.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.33 -40.29 64.75 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.04 1.336 . . . . 0.0 110.903 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 t -62.59 -63.57 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.909 1.684 . . . . 0.0 111.967 166.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.8 mt -56.46 -17.86 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.944 1.697 . . . . 0.0 114.648 -174.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -47.06 -36.9 8.66 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.262 1.825 . . . . 0.0 113.608 161.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -149.46 -12.24 0.3 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 -168.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.63 167.17 20.89 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.848 1.689 . . . . 0.0 113.352 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -99.79 118.45 36.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.946 1.299 . . . . 0.0 111.503 -169.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -128.84 170.09 13.79 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.326 1.45 . . . . 0.0 114.268 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.6 t -139.83 161.91 36.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.781 2.432 . . . . 0.0 110.11 169.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.28 151.62 40.73 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.182 1.793 . . . . 0.0 112.444 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.63 157.35 26.79 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.152 1.358 . . . . 0.0 112.52 174.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 66.4 t80 -67.0 -77.05 0.07 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.132 1.466 . . . . 0.0 114.461 -165.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -66.92 -19.89 65.81 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.54 -1.35 . . . . 0.0 111.948 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 t -57.28 -59.95 4.35 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 128.439 2.696 . . . . 0.0 113.151 163.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.255 14.7 t -63.54 -40.5 97.18 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-O 117.395 -1.288 . . . . 0.0 110.908 173.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -48.71 -55.52 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 121.818 2.099 . . . . 0.0 112.179 172.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -55.85 -45.46 78.43 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.84 1.656 . . . . 0.0 111.862 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 m -57.74 -56.74 18.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.212 1.405 . . . . 0.0 111.692 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.19 -35.31 78.46 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 127.105 2.162 . . . . 0.0 112.087 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -64.66 -33.25 75.5 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.137 0.975 . . . . 0.0 113.046 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -105.46 -15.21 15.07 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.99 156.14 26.83 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 120.485 1.493 . . . . 0.0 115.254 -171.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 91.93 1.24 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.373 1.869 . . . . 0.0 111.425 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -71.35 169.36 15.44 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.686 -0.634 . . . . 0.0 111.754 156.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -136.46 -14.23 1.72 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 157.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -141.29 131.97 25.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.281 1.032 . . . . 0.0 110.222 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 pt -112.45 146.83 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.857 1.263 . . . . 0.0 111.05 165.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.1 mm -122.59 136.73 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.37 1.068 . . . . 0.0 109.348 170.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.19 96.28 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 124.294 1.038 . . . . 0.0 109.315 169.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.31 50.53 0.8 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.141 1.777 . . . . 0.0 109.529 159.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.69 138.75 52.9 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.803 1.641 . . . . 0.0 107.162 162.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -63.51 83.12 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.379 1.472 . . . . 0.0 111.331 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 95.1 m -106.58 108.47 61.92 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 126.531 1.932 . . . . 0.0 111.568 -159.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.49 168.3 22.92 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.746 2.297 . . . . 0.0 113.193 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -52.33 -52.21 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.359 1.463 . . . . 0.0 113.789 -165.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.76 -32.24 73.67 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.882 1.219 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -71.78 -45.92 60.01 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 126.143 1.777 . . . . 0.0 110.712 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -65.53 -42.15 92.3 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.064 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -55.69 -42.76 75.67 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 124.459 1.104 . . . . 0.0 111.545 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.11 -56.62 17.83 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.482 1.037 . . . . 0.0 111.195 169.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.84 -44.54 86.55 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.283 0.947 . . . . 0.0 113.066 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -62.92 -35.75 81.1 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.56 2.344 . . . . 0.0 111.694 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -62.98 -49.0 76.4 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.719 1.208 . . . . 0.0 111.459 169.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -66.0 -35.96 81.99 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.422 -0.799 . . . . 0.0 112.389 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.26 81.02 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.952 0.796 . . . . 0.0 112.352 167.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -57.68 -43.32 85.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.951 1.301 . . . . 0.0 112.56 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -61.05 2.78 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.967 0.803 . . . . 0.0 111.224 173.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.4 p -75.4 42.33 0.21 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.453 2.301 . . . . 0.0 114.186 -173.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -31.87 98.12 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.854 1.261 . . . . 0.0 112.82 -134.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -132.46 146.02 51.62 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 128.162 2.585 . . . . 0.0 110.237 -162.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -78.94 146.92 33.22 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.483 1.513 . . . . 0.0 110.614 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.3 t -117.5 144.85 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.824 1.25 . . . . 0.0 110.372 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -140.34 152.75 46.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.902 0.881 . . . . 0.0 112.277 170.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -126.72 85.75 2.42 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.406 1.482 . . . . 0.0 110.509 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.738 0 CA-C-O 122.963 1.363 . . . . 0.0 108.52 177.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 tp . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.27 -28.89 4.73 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.355 0.979 . . . . 0.0 112.955 165.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -58.17 -39.12 78.05 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.213 1.805 . . . . 0.0 113.215 171.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.16 -18.74 55.17 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.133 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.54 0.686 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.413 ' C ' ' HG ' ' A' ' 91' ' ' SER . 6.4 t -132.0 155.59 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.791 1.637 . . . . 0.0 109.058 -166.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.413 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 14.4 m -147.82 148.87 31.37 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 120.374 -1.454 . . . . 0.0 110.898 163.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.1 mm -125.53 133.27 69.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 126.083 1.753 . . . . 0.0 109.442 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.48 -56.11 2.27 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.05 2.14 . . . . 0.0 111.446 -171.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -131.57 111.71 11.98 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.484 1.514 . . . . 0.0 108.471 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.78 -29.19 19.96 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -173.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.22 -5.61 0.3 Allowed Glycine 0 CA--C 1.539 1.589 0 N-CA-C 120.918 3.127 . . . . 0.0 120.918 -113.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -112.64 84.24 1.95 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.71 1.755 . . . . 0.0 108.645 169.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -105.41 -178.18 3.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 129.545 3.138 . . . . 0.0 114.042 8.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -53.52 23.13 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.078 1 C-N-CA 134.396 5.078 . . . . 0.0 117.866 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 tt -62.53 -21.62 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 121.097 1.771 . . . . 0.0 114.441 -166.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.32 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.452 0 C-N-CA 127.015 2.126 . . . . 0.0 115.886 169.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.234 0.267 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -47.49 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 118.931 0.787 . . . . 0.0 111.145 177.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -59.56 -51.62 69.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.086 0.857 . . . . 0.0 111.475 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -57.65 -54.74 43.45 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.401 177.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -63.2 -38.93 93.1 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.008 0.822 . . . . 0.0 112.457 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.7 -40.41 88.47 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.822 -0.609 . . . . 0.0 111.858 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.01 93.03 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.875 1.216 . . . . 0.0 112.504 171.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.38 -42.8 78.49 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.996 1.319 . . . . 0.0 109.799 173.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 t -59.92 -57.89 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.64 1.176 . . . . 0.0 112.451 168.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.5 mt -52.78 -28.51 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.595 1.158 . . . . 0.0 113.262 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -48.67 -37.11 17.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.265 1.426 . . . . 0.0 114.162 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -149.6 -2.86 0.42 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.18 -166.6 29.18 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.359 1.457 . . . . 0.0 112.344 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.39 122.59 26.58 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.329 -1.101 . . . . 0.0 111.802 -177.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -129.94 173.71 10.44 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.532 2.333 . . . . 0.0 112.234 -172.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.4 t -146.1 146.9 31.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.977 1.711 . . . . 0.0 110.337 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -135.71 134.04 38.69 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.148 1.379 . . . . 0.0 113.54 -170.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.5 145.75 11.51 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 123.98 0.8 . . . . 0.0 111.895 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.409 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 32.7 t80 -51.76 -51.9 52.79 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.798 1.239 . . . . 0.0 113.295 -165.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -39.67 -58.92 1.23 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.933 2.093 . . . . 0.0 112.04 168.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -66.08 -52.09 52.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 126.581 1.952 . . . . 0.0 110.835 -170.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.262 6.6 t -56.68 -58.17 9.22 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 116.718 -1.611 . . . . 0.0 109.86 173.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.5 t -47.98 -50.25 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 121.734 2.061 . . . . 0.0 112.893 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -56.17 -47.9 77.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.118 0.967 . . . . 0.0 112.646 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 m -65.53 -41.25 93.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.431 1.492 . . . . 0.0 112.73 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.4 mt -71.64 -38.28 70.75 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.296 1.039 . . . . 0.0 111.317 177.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -61.21 -27.47 68.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.679 0.792 . . . . 0.0 112.757 169.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -78.57 5.45 10.88 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 166.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.95 -19.99 1.99 Allowed Glycine 0 CA--C 1.534 1.281 0 N-CA-C 117.258 1.663 . . . . 0.0 117.258 159.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -88.74 -0.74 57.6 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.497 1.665 . . . . 0.0 115.497 -166.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.1 p -59.43 165.51 2.77 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.229 -0.92 . . . . 0.0 113.001 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -138.59 -18.47 1.09 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 164.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -139.38 129.51 25.19 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.936 0.789 . . . . 0.0 109.799 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.9 pt -113.66 141.36 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.25 1.02 . . . . 0.0 111.575 168.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.6 mm -115.95 138.94 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.784 1.234 . . . . 0.0 108.866 172.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.92 91.47 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.23 46.82 0.91 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.675 1.99 . . . . 0.0 110.265 168.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.62 151.53 39.15 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.218 1.807 . . . . 0.0 109.992 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -66.71 75.33 0.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.273 2.229 . . . . 0.0 112.943 -173.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.7 m -107.73 99.93 32.34 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.842 1.657 . . . . 0.0 111.674 -162.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -72.68 171.25 17.65 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.065 2.51 . . . . 0.0 113.195 -175.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.7 t -50.05 -48.97 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.138 1.775 . . . . 0.0 114.164 -166.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.01 -44.26 85.28 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.032 0.833 . . . . 0.0 111.087 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -63.45 -46.88 84.23 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.615 1.966 . . . . 0.0 110.819 -178.124 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -47.53 83.39 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.046 0.538 . . . . 0.0 109.623 175.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.1 m -60.95 -34.38 74.66 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.603 0.761 . . . . 0.0 112.225 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -64.47 -48.69 74.31 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.066 0.848 . . . . 0.0 111.835 172.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.098 0.863 . . . . 0.0 112.497 175.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -59.94 -43.69 94.84 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.393 1.877 . . . . 0.0 111.532 174.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -59.6 -48.29 82.25 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.848 1.259 . . . . 0.0 111.544 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -64.15 -43.12 96.19 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 118.35 -0.833 . . . . 0.0 112.48 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.28 -41.9 72.87 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.485 1.039 . . . . 0.0 112.846 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.0 ttp -61.99 -38.57 89.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.961 1.304 . . . . 0.0 112.317 172.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.91 -61.11 2.36 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.186 0.903 . . . . 0.0 111.288 170.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.8 p -78.49 46.59 0.65 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.167 1.787 . . . . 0.0 113.584 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -32.52 98.7 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.123 1.369 . . . . 0.0 112.978 -137.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -133.09 144.24 49.85 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 128.352 2.661 . . . . 0.0 110.12 -161.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -79.04 144.76 34.33 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 122.079 -0.388 . . . . 0.0 110.976 176.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.67 135.6 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.637 1.575 . . . . 0.0 110.225 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -132.11 98.67 4.49 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.054 0.941 . . . . 0.0 111.586 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -78.78 74.88 5.3 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.232 1.413 . . . . 0.0 111.414 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 126.369 1.868 . . . . 0.0 111.288 -179.293 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 tp . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.39 -15.65 32.28 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.118 -0.989 . . . . 0.0 113.935 169.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 m -61.36 -47.35 86.28 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.493 1.117 . . . . 0.0 110.24 167.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.35 -57.63 5.62 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.93 0.892 . . . . 0.0 111.007 168.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.287 17.6 m . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -163.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.237 0.403 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.7 t -130.81 156.52 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.702 1.601 . . . . 0.0 108.895 -168.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -144.97 156.1 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 120.301 -1.5 . . . . 0.0 110.86 158.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.6 mm -122.79 131.76 72.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 125.995 1.718 . . . . 0.0 108.989 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.95 -55.28 2.42 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 127.168 2.187 . . . . 0.0 110.517 -173.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -120.35 102.67 8.63 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.346 1.058 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.0 56.42 1.22 Allowed 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.466 -0.772 . . . . 0.0 112.467 173.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.81 24.42 0.66 Allowed Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.121 1.343 . . . . 0.0 115.853 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -145.63 -77.37 0.2 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.345 1.573 . . . . 0.0 110.999 -172.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.9 t -108.2 162.81 13.73 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.031 1.332 . . . . 0.0 111.74 165.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -83.68 18.06 2.06 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 -157.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 tt -44.1 -52.17 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -160.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 p . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.6 -50.89 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.995 167.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.61 -55.23 31.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.905 0.882 . . . . 0.0 112.355 -168.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -66.46 -42.84 86.94 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.387 0.675 . . . . 0.0 111.999 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -64.14 -44.18 92.96 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.641 0.655 . . . . 0.0 111.276 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.92 -36.97 78.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.69 1.196 . . . . 0.0 111.98 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -45.3 87.84 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.522 1.055 . . . . 0.0 112.391 170.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.95 -40.74 73.65 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.374 1.07 . . . . 0.0 110.779 172.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -60.01 -60.31 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.577 0.751 . . . . 0.0 111.836 168.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mt -52.65 -29.04 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.609 1.564 . . . . 0.0 113.775 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -18.31 4.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.067 1.347 . . . . 0.0 114.355 171.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 p -149.77 -15.16 0.27 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 117.276 2.325 . . . . 0.0 117.276 160.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.53 158.6 43.57 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.991 1.281 . . . . 0.0 113.267 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.05 122.01 26.23 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.52 1.128 . . . . 0.0 111.086 -171.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -127.92 172.59 10.75 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.617 1.167 . . . . 0.0 113.756 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -142.81 149.91 39.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.328 1.851 . . . . 0.0 111.021 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.67 126.92 33.71 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.293 1.837 . . . . 0.0 112.493 -170.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.61 151.57 28.42 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.421 1.01 . . . . 0.0 112.591 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 36.6 t80 -55.26 -55.25 33.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.887 0.875 . . . . 0.0 113.253 -163.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.82 -42.91 80.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.694 0.798 . . . . 0.0 111.951 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -61.06 -49.48 77.17 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 126.573 1.949 . . . . 0.0 112.608 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.293 9.0 t -60.61 -63.63 1.23 Allowed 'General case' 0 C--N 1.345 0.371 0 CA-C-O 116.274 -1.822 . . . . 0.0 109.334 169.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.2 t -43.35 -50.57 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 121.602 2.001 . . . . 0.0 113.304 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -56.73 12.45 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.008 1.323 . . . . 0.0 111.378 172.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 m -64.41 -33.58 76.18 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.847 1.259 . . . . 0.0 113.522 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.7 mt -71.1 -41.75 70.19 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.652 0.781 . . . . 0.0 110.669 173.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -62.79 -28.53 70.06 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.262 1.025 . . . . 0.0 113.1 171.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -72.24 -6.05 40.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 165.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.46 -1.57 35.12 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.302 1.43 . . . . 0.0 115.486 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -87.31 -7.6 57.63 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.182 1.393 . . . . 0.0 114.359 -164.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -68.49 163.3 23.72 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.16 0.984 . . . . 0.0 112.926 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -138.93 -12.58 1.25 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.69 1.366 . . . . 0.0 114.69 161.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.28 134.87 31.63 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.35 1.46 . . . . 0.0 108.992 171.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.8 pt -116.35 149.55 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.986 0.915 . . . . 0.0 111.762 167.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.9 mm -124.25 136.42 60.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 125.885 1.674 . . . . 0.0 109.85 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.38 96.92 4.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 123.06 0.544 . . . . 0.0 109.713 168.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.95 50.06 1.06 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.981 2.912 . . . . 0.0 110.722 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 48' ' ' THR . . . -138.06 168.96 18.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.478 1.511 . . . . 0.0 110.832 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -66.62 21.22 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.67 1.988 . . . . 0.0 114.841 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.413 ' H ' ' C ' ' A' ' 46' ' ' ALA . 55.3 m -60.02 114.22 9.25 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 129.441 3.096 . . . . 0.0 112.907 -172.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -59.97 167.71 6.85 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.985 3.79 . . . . 0.0 115.201 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.07 -43.95 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.878 1.271 . . . . 0.0 113.172 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.96 -39.97 83.27 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.958 -1.089 . . . . 0.0 111.034 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -64.08 -47.96 78.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.66 1.984 . . . . 0.0 111.227 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -42.67 99.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.858 171.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.0 m -58.09 -37.54 74.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.242 0.617 . . . . 0.0 112.174 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -65.25 -46.71 79.43 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.103 0.865 . . . . 0.0 112.062 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.14 -44.86 92.08 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.174 0.897 . . . . 0.0 112.794 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -60.03 -39.9 87.47 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 127.671 2.389 . . . . 0.0 111.549 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -61.26 -49.77 75.75 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.724 1.21 . . . . 0.0 111.861 169.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -63.28 -36.88 85.13 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.115 -0.991 . . . . 0.0 112.778 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.51 -44.09 96.4 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.14 0.882 . . . . 0.0 112.43 170.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -58.43 -43.95 88.92 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.738 1.215 . . . . 0.0 112.191 171.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.41 -61.49 2.5 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.905 0.775 . . . . 0.0 111.406 173.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.8 p -76.3 43.5 0.3 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 128.155 2.582 . . . . 0.0 114.159 -173.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -32.22 99.39 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.758 1.223 . . . . 0.0 112.68 -136.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -133.85 143.22 48.19 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 128.518 2.727 . . . . 0.0 109.659 -162.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -79.35 118.26 21.09 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.565 0.746 . . . . 0.0 110.753 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.94 131.74 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 123.286 0.634 . . . . 0.0 110.249 170.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -129.22 123.89 33.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.028 0.918 . . . . 0.0 112.315 168.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -87.51 109.12 19.38 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 124.628 1.171 . . . . 0.0 110.886 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.546 0.814 0 C-N-CA 126.989 2.115 . . . . 0.0 108.703 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.0 tp . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.78 -28.16 6.9 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.313 0.959 . . . . 0.0 113.457 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 m -54.68 -39.59 68.25 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.268 1.827 . . . . 0.0 112.584 171.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.85 -21.43 44.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.033 1.333 . . . . 0.0 114.319 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -167.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.414 ' C ' ' HG ' ' A' ' 91' ' ' SER . 25.7 t -135.74 159.24 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.164 1.386 . . . . 0.0 108.387 -166.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 15.0 m -149.08 155.79 41.25 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 119.699 -1.876 . . . . 0.0 110.894 166.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mm -120.82 136.33 58.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 125.819 1.648 . . . . 0.0 109.002 -178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.69 -105.11 0.34 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.894 2.078 . . . . 0.0 107.882 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.91 94.63 4.6 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.943 -1.098 . . . . 0.0 110.577 170.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.38 65.15 0.42 Allowed 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.564 -0.71 . . . . 0.0 111.59 165.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.65 39.2 0.75 Allowed Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.408 1.48 . . . . 0.0 114.179 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -144.02 -81.02 0.18 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.019 1.328 . . . . 0.0 110.478 -169.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 t -108.28 152.77 24.17 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.643 1.687 . . . . 0.0 111.702 161.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -52.22 3.41 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.902 1 C-N-CA 136.039 5.736 . . . . 0.0 117.866 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.6 tt -48.12 -50.58 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.961 1.255 . . . . 0.0 114.078 -161.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.355 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 117.141 2.275 . . . . 0.0 117.141 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 119.57 -0.252 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -51.15 76.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.325 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.399 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -53.82 -57.2 11.79 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.613 1.097 . . . . 0.0 111.906 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -56.7 -57.4 12.58 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.976 0.91 . . . . 0.0 110.932 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -66.5 -34.12 77.21 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-O 118.877 -0.583 . . . . 0.0 112.172 -175.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -71.64 -41.49 68.74 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.147 0.885 . . . . 0.0 111.662 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.42 94.47 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.34 0.973 . . . . 0.0 111.975 171.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tt -55.47 -39.53 70.5 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.25 1.02 . . . . 0.0 111.15 172.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -63.84 -57.08 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 119.115 0.87 . . . . 0.0 112.975 167.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 mt -57.21 -17.84 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.706 1.602 . . . . 0.0 113.788 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -47.69 -34.94 8.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.727 1.611 . . . . 0.0 113.354 164.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.6 p -149.35 -14.89 0.29 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 172.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.8 169.49 54.24 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.937 1.256 . . . . 0.0 113.201 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.03 129.95 46.14 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.441 -1.035 . . . . 0.0 112.811 -171.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -133.82 166.88 21.62 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.775 1.63 . . . . 0.0 113.248 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 t -140.67 149.62 42.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.953 2.101 . . . . 0.0 110.107 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -140.21 135.11 32.05 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.849 1.26 . . . . 0.0 114.154 -166.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.59 149.71 26.04 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.551 1.072 . . . . 0.0 111.876 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -54.36 -65.52 0.56 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -161.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -20.06 60.82 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.281 -0.887 . . . . 0.0 111.968 -178.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -59.37 -52.98 63.28 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.854 1.261 . . . . 0.0 111.677 169.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.285 4.9 t -61.48 -53.1 60.91 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 116.222 -1.847 . . . . 0.0 109.647 172.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -43.87 -55.17 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 122.025 2.193 . . . . 0.0 113.29 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -49.2 -57.7 6.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.265 1.426 . . . . 0.0 111.278 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.2 m -60.11 -31.87 70.45 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.661 1.584 . . . . 0.0 114.039 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.0 mt -82.84 -34.76 26.78 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.171 1.389 . . . . 0.0 112.017 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -67.0 -25.8 66.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.935 0.894 . . . . 0.0 111.777 169.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -72.37 0.14 10.89 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.22 1.408 . . . . 0.0 113.594 162.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.76 -36.12 1.03 Allowed Glycine 0 CA--C 1.532 1.144 0 C-N-CA 127.594 2.521 . . . . 0.0 116.516 166.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -73.59 24.11 0.07 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.343 2.257 . . . . 0.0 116.331 -162.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.4 p -90.84 172.99 8.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.36 2.264 . . . . 0.0 113.399 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -138.07 -19.74 1.13 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 167.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.5 141.42 24.77 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.166 1.348 . . . . 0.0 111.185 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 pt -115.0 140.73 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.188 1.395 . . . . 0.0 111.383 169.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.2 mm -112.54 138.15 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.845 0.858 . . . . 0.0 108.933 169.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mt -123.59 90.38 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.78 0.832 . . . . 0.0 109.159 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.87 85.37 2.16 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.585 1.954 . . . . 0.0 108.97 161.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -158.79 169.48 24.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.133 0.973 . . . . 0.0 111.534 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -61.05 76.95 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.426 1.89 . . . . 0.0 109.979 169.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -112.36 91.56 16.84 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -164.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -74.02 170.35 20.32 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.985 2.457 . . . . 0.0 111.532 168.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.8 t -52.02 -53.02 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.29 1.436 . . . . 0.0 112.926 -170.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.78 -40.46 92.64 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.533 0.606 . . . . 0.0 112.125 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -65.48 -52.17 54.81 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.241 1.416 . . . . 0.0 110.552 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -57.85 -48.58 79.38 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -77.39 -17.75 57.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 117.206 -1.378 . . . . 0.0 113.349 -171.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.06 -51.35 69.53 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.829 1.649 . . . . 0.0 110.023 159.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.53 -43.77 96.81 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 121.696 0.76 . . . . 0.0 112.59 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -57.67 -41.37 81.39 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.74 2.416 . . . . 0.0 111.212 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -59.37 -45.16 92.2 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.275 1.03 . . . . 0.0 111.42 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -72.81 -31.39 64.79 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.36 -0.837 . . . . 0.0 113.256 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.31 -37.68 72.85 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.279 0.945 . . . . 0.0 112.067 167.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -75.52 -40.38 57.07 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.65 1.98 . . . . 0.0 114.146 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.19 -51.72 35.11 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.529 1.059 . . . . 0.0 111.945 176.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.4 p -62.79 -175.74 0.1 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 158.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -121.9 85.16 2.36 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.025 -1.672 . . . . 0.0 108.767 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.4 m -144.35 134.6 24.33 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.993 1.317 . . . . 0.0 110.792 -153.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -78.96 154.31 29.68 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.981 1.312 . . . . 0.0 111.386 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.03 130.47 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.242 1.417 . . . . 0.0 111.198 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -126.2 107.69 10.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.684 1.194 . . . . 0.0 111.752 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -82.8 115.08 21.55 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.259 1.024 . . . . 0.0 112.652 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.555 1.145 0 C-N-CA 127.449 2.3 . . . . 0.0 111.69 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.1 tp . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.72 -37.84 14.8 Favored Glycine 0 N--CA 1.477 1.375 0 CA-C-N 120.26 1.391 . . . . 0.0 112.09 159.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 m -53.34 -37.9 62.75 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.569 2.747 . . . . 0.0 113.304 169.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.06 -46.2 8.26 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.335 1.454 . . . . 0.0 113.055 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 178.636 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.06 157.78 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.423 1.489 . . . . 0.0 109.057 -162.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 m -144.53 155.25 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 120.386 -1.446 . . . . 0.0 111.037 157.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.5 mm -119.74 139.31 47.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 C-N-CA 126.174 1.79 . . . . 0.0 108.776 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 mp -116.28 -96.15 0.47 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.94 1.696 . . . . 0.0 108.097 -173.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -77.09 92.84 3.8 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.546 1.138 . . . . 0.0 110.086 173.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.0 44.87 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.463 1.505 . . . . 0.0 112.693 163.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.51 41.14 1.36 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.996 1.76 . . . . 0.0 114.004 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -144.49 -81.69 0.17 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.219 1.407 . . . . 0.0 109.725 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.6 t -109.99 159.43 17.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.929 1.292 . . . . 0.0 111.275 160.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.55 9.64 0.24 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.801 2.44 . . . . 0.0 116.652 -166.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 tt -38.8 -63.03 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.131 1.372 . . . . 0.0 113.806 -145.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.262 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -172.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 p . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -48.14 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.773 0.829 . . . . 0.0 111.633 174.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -52.22 -56.53 14.1 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.007 1.323 . . . . 0.0 112.488 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.13 -40.3 94.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.479 0.712 . . . . 0.0 111.232 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 57.0 tttp -63.15 -43.35 98.58 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.117 1.367 . . . . 0.0 111.377 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.71 -37.27 82.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.141 0.976 . . . . 0.0 111.886 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.3 86.01 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.254 0.934 . . . . 0.0 111.609 172.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.33 -39.6 73.06 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.492 1.117 . . . . 0.0 111.537 173.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.93 -62.45 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.489 166.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.7 mt -49.99 -32.51 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.892 1.677 . . . . 0.0 113.518 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.32 -18.06 9.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.111 1.765 . . . . 0.0 114.354 174.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 p -148.42 -21.35 0.33 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 163.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.4 158.66 32.85 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.551 1.548 . . . . 0.0 113.513 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -87.04 127.45 35.11 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.261 1.024 . . . . 0.0 112.257 -168.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -130.39 174.48 9.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.895 1.678 . . . . 0.0 113.252 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.7 t -146.78 153.88 40.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.129 1.771 . . . . 0.0 111.18 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -140.43 130.56 24.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.879 1.672 . . . . 0.0 112.835 -169.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.71 150.34 25.37 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.155 0.883 . . . . 0.0 112.64 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -54.07 -55.84 23.69 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.223 1.009 . . . . 0.0 113.568 -164.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -55.58 -44.77 77.23 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.909 0.884 . . . . 0.0 111.735 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -60.34 -49.94 75.61 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 126.851 2.06 . . . . 0.0 112.476 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.28 8.8 t -61.19 -63.15 1.39 Allowed 'General case' 0 C--N 1.345 0.401 0 CA-C-O 116.285 -1.817 . . . . 0.0 109.595 170.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -44.0 -51.33 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 121.818 2.099 . . . . 0.0 112.967 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -48.83 -60.7 2.53 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.822 1.249 . . . . 0.0 111.255 170.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 m -62.01 -35.95 80.09 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.34 1.456 . . . . 0.0 113.671 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.22 -44.64 68.18 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.572 0.749 . . . . 0.0 110.789 174.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -65.5 -25.24 67.39 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.449 0.699 . . . . 0.0 112.572 174.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -76.3 0.59 18.81 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.342 1.457 . . . . 0.0 114.093 165.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.12 -22.43 0.96 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.369 1.938 . . . . 0.0 116.913 167.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -72.38 -4.99 33.29 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.466 1.507 . . . . 0.0 114.816 -172.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -63.48 160.62 16.02 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.32 -0.862 . . . . 0.0 112.725 170.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -138.83 -13.55 1.24 Allowed 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 163.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.3 141.82 30.02 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.796 1.18 . . . . 0.0 111.126 171.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 pt -119.31 144.14 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.367 1.467 . . . . 0.0 111.608 168.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.2 mm -116.52 136.17 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.737 1.215 . . . . 0.0 108.318 168.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mt -118.76 111.69 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 164.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.98 59.32 1.07 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.782 1.633 . . . . 0.0 111.654 174.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.32 169.32 21.09 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.868 1.267 . . . . 0.0 111.106 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -68.67 33.32 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.244 2.218 . . . . 0.0 114.127 175.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.0 m -68.45 111.96 9.65 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 127.924 2.49 . . . . 0.0 111.581 -170.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.32 165.4 32.56 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.599 2.2 . . . . 0.0 112.364 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.6 t -49.33 -56.27 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.731 1.612 . . . . 0.0 113.119 -167.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.81 -35.31 76.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.731 0.696 . . . . 0.0 112.525 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.87 -50.94 24.97 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.417 1.487 . . . . 0.0 110.639 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -58.84 -46.67 87.16 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -77.21 -16.97 58.84 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 118.016 -0.992 . . . . 0.0 113.376 -172.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.69 -46.58 78.5 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.181 1.355 . . . . 0.0 110.987 160.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.32 -44.58 92.57 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.233 0.924 . . . . 0.0 112.55 174.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -58.47 -41.02 84.26 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.631 2.373 . . . . 0.0 110.889 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -62.81 -47.9 81.42 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.27 1.428 . . . . 0.0 111.801 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -63.08 -38.09 89.82 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.052 0.842 . . . . 0.0 112.514 174.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.54 76.58 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.086 0.857 . . . . 0.0 111.663 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.2 ttp -56.94 -40.0 75.57 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.172 1.389 . . . . 0.0 112.826 174.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.2 -65.67 0.64 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.304 0.956 . . . . 0.0 111.658 172.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.4 p -71.94 47.45 0.15 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.102 2.961 . . . . 0.0 114.261 -169.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -31.52 94.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.578 1.551 . . . . 0.0 112.234 -133.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -132.7 143.89 49.93 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 128.375 2.67 . . . . 0.0 109.599 -162.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -78.76 146.39 33.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.637 1.175 . . . . 0.0 110.773 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.6 t -109.43 143.37 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.813 1.245 . . . . 0.0 109.772 173.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -137.63 151.69 48.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.593 1.157 . . . . 0.0 111.407 166.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -123.22 103.67 8.68 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.637 1.575 . . . . 0.0 109.081 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 CA--C 1.533 0.308 0 C-N-CA 125.13 1.372 . . . . 0.0 108.693 -175.448 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.2 tp . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.64 -32.81 25.25 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.61 1.1 . . . . 0.0 113.639 163.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 m -65.43 -22.91 66.82 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.886 1.343 . . . . 0.0 112.13 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.07 -41.6 12.22 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -166.161 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.467 0.404 0 CA-C-O 121.587 0.708 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.411 ' C ' ' HG ' ' A' ' 91' ' ' SER . 25.0 t -132.75 155.71 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 125.962 1.705 . . . . 0.0 108.964 -167.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.411 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 13.9 m -147.0 155.41 42.22 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 120.27 -1.518 . . . . 0.0 111.461 161.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.1 mm -119.63 135.61 59.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 126.615 1.966 . . . . 0.0 108.906 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mp -111.13 -103.89 0.39 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.324 1.85 . . . . 0.0 108.163 -176.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -77.94 81.41 4.34 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.704 1.202 . . . . 0.0 109.697 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.7 11.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.699 2.799 . . . . 0.0 117.193 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.18 55.54 0.04 OUTLIER Glycine 0 CA--C 1.537 1.414 0 C-N-CA 128.251 2.834 . . . . 0.0 118.723 -151.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -139.97 -64.08 0.49 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.374 1.87 . . . . 0.0 109.106 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -110.17 156.09 21.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 123.206 1.479 . . . . 0.0 112.398 162.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -52.45 4.23 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 1 C-N-CA 134.18 4.992 . . . . 0.0 117.043 170.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.446 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 13.0 tt -45.9 -47.35 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 120.327 1.421 . . . . 0.0 113.677 -157.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.351 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.472 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -173.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -44.59 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.697 171.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -54.05 -57.0 12.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.624 1.169 . . . . 0.0 111.934 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -56.42 -53.19 60.29 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.767 1.227 . . . . 0.0 111.357 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.13 -35.46 78.8 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 118.378 0.535 . . . . 0.0 111.984 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.49 -38.94 77.87 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.348 0.977 . . . . 0.0 112.686 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.79 89.34 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.893 1.224 . . . . 0.0 111.914 170.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.54 -34.48 64.74 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.893 1.277 . . . . 0.0 111.367 171.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.83 -51.51 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.015 1.726 . . . . 0.0 112.488 170.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.3 mt -57.18 -21.95 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.9 1.28 . . . . 0.0 113.545 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -48.41 -33.49 9.29 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.361 1.864 . . . . 0.0 114.204 162.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 p -158.03 23.9 0.26 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.375 1.47 . . . . 0.0 113.163 -154.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.86 150.69 22.88 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.759 0.695 . . . . 0.0 113.389 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -79.59 114.05 18.22 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.525 1.13 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -118.63 168.75 10.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.752 1.221 . . . . 0.0 113.968 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -144.07 160.73 40.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.401 2.28 . . . . 0.0 110.18 173.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.7 mt -144.4 145.34 31.87 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.284 1.433 . . . . 0.0 112.398 -164.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.04 160.42 21.29 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.249 1.404 . . . . 0.0 113.635 171.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.53 -80.6 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -162.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -23.33 65.92 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.095 -1.628 . . . . 0.0 112.425 -175.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.5 t -54.59 -58.63 6.73 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 128.507 2.723 . . . . 0.0 113.354 166.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -69.26 -35.52 76.19 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 116.344 -1.788 . . . . 0.0 110.789 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 t -52.73 -55.01 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 122.08 2.218 . . . . 0.0 110.908 173.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.53 -52.5 22.28 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.496 1.519 . . . . 0.0 110.675 170.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.3 m -65.25 -26.94 68.32 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.78 -30.88 18.68 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.038 1.735 . . . . 0.0 111.12 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -66.58 -21.2 66.14 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.464 1.105 . . . . 0.0 112.384 168.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -69.13 -2.22 9.72 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 161.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.04 -39.24 1.81 Allowed Glycine 0 CA--C 1.531 1.081 0 C-N-CA 126.516 2.007 . . . . 0.0 116.162 163.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -72.0 17.89 0.09 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -167.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -83.6 167.09 17.63 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.649 1.18 . . . . 0.0 113.721 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 -22.8 0.91 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -146.13 128.41 15.8 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 120.224 1.374 . . . . 0.0 111.474 176.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 pt -111.58 141.33 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.24 1.416 . . . . 0.0 111.923 167.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.2 mm -118.17 124.57 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 127.748 2.419 . . . . 0.0 108.435 175.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mt -116.46 106.14 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.62 64.97 0.8 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.316 1.846 . . . . 0.0 110.649 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -151.2 161.03 43.47 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.29 1.036 . . . . 0.0 111.702 -176.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -60.7 68.01 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 129.535 3.134 . . . . 0.0 114.081 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.9 m -98.88 110.64 58.23 Favored Pre-proline 0 N--CA 1.469 0.51 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -152.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -77.21 168.5 23.01 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.006 2.471 . . . . 0.0 111.951 170.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.92 -42.49 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.081 1.352 . . . . 0.0 112.226 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.8 -47.51 83.14 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.534 0.734 . . . . 0.0 111.988 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -59.55 -51.11 71.27 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.793 0.837 . . . . 0.0 110.18 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -59.55 -46.59 88.46 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.2 m -53.22 -47.98 68.51 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.651 1.18 . . . . 0.0 111.428 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.57 -50.89 72.13 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.525 1.057 . . . . 0.0 111.556 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.1 -41.39 97.3 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.811 0.815 . . . . 0.0 112.615 -176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.8 -38.57 91.6 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.063 2.545 . . . . 0.0 111.703 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.94 -45.68 91.84 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.265 1.026 . . . . 0.0 111.535 171.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -69.35 -36.74 77.19 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.35 -0.844 . . . . 0.0 112.825 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -36.65 68.8 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 169.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.5 ttp -77.53 -36.78 52.02 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.137 2.175 . . . . 0.0 114.15 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.38 -52.88 28.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.561 1.145 . . . . 0.0 111.431 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.6 p -62.42 -174.24 0.06 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.994 0.918 . . . . 0.0 110.456 158.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -121.83 73.84 1.1 Allowed 'General case' 0 N--CA 1.477 0.875 0 O-C-N 119.561 -1.962 . . . . 0.0 109.838 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.2 m -127.91 133.45 49.28 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.141 -155.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -78.05 140.66 39.13 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.419 1.088 . . . . 0.0 109.988 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.1 t -110.14 132.72 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.532 1.133 . . . . 0.0 110.558 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -131.32 106.22 8.14 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.845 0.831 . . . . 0.0 113.21 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -79.48 75.4 6.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.38 1.472 . . . . 0.0 112.086 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 127.096 2.158 . . . . 0.0 110.77 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 tp . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.45 -20.99 56.63 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.046 -0.863 . . . . 0.0 113.807 168.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.5 m -87.91 -29.77 20.6 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.228 1.514 . . . . 0.0 111.963 169.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.38 98.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.684 1.129 . . . . 0.0 111.451 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 123.587 0.755 . . . . 0.0 112.724 176.572 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.0 t -131.98 142.45 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 127.556 2.342 . . . . 0.0 106.878 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 m -134.6 148.24 50.39 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.798 0.726 . . . . 0.0 110.702 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.2 mm -121.46 136.72 57.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 125.512 1.525 . . . . 0.0 108.719 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.61 -61.84 1.62 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.031 1.332 . . . . 0.0 110.583 -171.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -130.74 94.03 3.54 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.291 1.036 . . . . 0.0 109.878 -174.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.48 98.0 10.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.795 0.838 . . . . 0.0 110.624 174.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.13 -38.75 97.04 Favored Glycine 0 CA--C 1.534 1.255 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 170.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -141.82 152.14 43.42 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 148.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.31 177.96 4.59 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 118.94 -2.35 . . . . 0.0 112.969 -8.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -71.72 18.31 0.08 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -162.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 tt -54.39 -31.52 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.164 -1.585 . . . . 0.0 113.48 -172.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.324 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 176.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 119.425 -0.321 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -53.56 25.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 C-N-CA 125.489 1.516 . . . . 0.0 111.166 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.82 -51.17 70.69 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.153 0.888 . . . . 0.0 111.165 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -67.22 -48.27 68.35 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.378 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HZ2' ' CG ' ' A' ' 99' ' ' ASP . 4.0 tppp? -61.26 -38.74 87.79 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.146 0.884 . . . . 0.0 111.52 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.79 -44.69 73.09 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.77 0.828 . . . . 0.0 111.296 178.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.8 99.14 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.428 1.013 . . . . 0.0 112.059 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -57.33 -43.08 83.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.634 1.174 . . . . 0.0 110.889 173.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -61.04 -53.71 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.343 1.057 . . . . 0.0 112.629 170.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mt -54.72 -18.92 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 126.331 1.852 . . . . 0.0 113.643 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -48.52 -36.43 15.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.373 1.469 . . . . 0.0 113.624 166.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.8 p -151.87 -12.1 0.19 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.37 152.64 36.21 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 119.67 1.123 . . . . 0.0 112.428 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -85.55 116.49 23.88 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.576 1.15 . . . . 0.0 111.861 -171.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -123.39 175.17 6.89 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.237 1.815 . . . . 0.0 113.716 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -146.17 148.83 32.95 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.823 2.049 . . . . 0.0 110.576 173.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.7 mt -136.86 129.7 30.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.509 1.523 . . . . 0.0 113.543 -168.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.76 150.18 26.39 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 123.991 0.805 . . . . 0.0 112.195 177.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.94 -57.9 10.13 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -165.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -55.01 -43.02 73.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.056 0.942 . . . . 0.0 111.686 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -57.7 -57.57 12.15 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.543 1.537 . . . . 0.0 111.465 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.251 8.4 t -59.96 -51.24 70.52 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-O 117.315 -1.326 . . . . 0.0 110.464 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.0 t -49.81 -51.51 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 121.394 1.906 . . . . 0.0 112.552 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -56.08 -50.55 70.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.551 0.74 . . . . 0.0 111.699 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -60.24 -48.34 82.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.544 1.538 . . . . 0.0 112.39 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 mt -67.67 -34.76 77.57 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.662 1.185 . . . . 0.0 111.843 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -74.7 -35.57 62.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.385 -0.817 . . . . 0.0 112.924 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -106.17 -13.21 15.49 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -173.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.45 174.07 22.75 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 120.293 1.406 . . . . 0.0 115.044 -169.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 73.04 2.06 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.491 1.516 . . . . 0.0 111.603 -174.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.0 p -56.09 152.68 10.17 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.897 1.279 . . . . 0.0 112.614 167.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.81 -32.71 0.48 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 166.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -142.12 131.14 23.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.783 1.233 . . . . 0.0 109.657 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.2 pt -112.93 147.0 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.798 0.839 . . . . 0.0 111.82 171.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.1 mm -122.72 125.15 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 124.796 1.239 . . . . 0.0 109.566 172.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -102.45 88.0 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 164.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.2 57.53 0.66 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 122.929 1.347 . . . . 0.0 109.546 163.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.94 140.13 29.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.705 1.602 . . . . 0.0 107.481 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.74 77.27 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.007 1.723 . . . . 0.0 112.391 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.3 m -106.45 121.45 45.23 Favored Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 127.361 2.265 . . . . 0.0 110.669 -162.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.82 167.89 25.34 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.057 2.505 . . . . 0.0 112.594 176.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.1 t -52.81 -51.33 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.679 1.592 . . . . 0.0 113.014 -170.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.4 mt -57.6 -50.35 73.43 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.876 0.762 . . . . 0.0 111.371 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -48.32 82.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.736 2.014 . . . . 0.0 111.612 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -61.77 -44.38 97.01 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 118.704 -0.665 . . . . 0.0 109.331 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -58.38 -34.49 70.77 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-O 118.528 -0.749 . . . . 0.0 112.323 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -66.95 -48.16 69.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.125 0.875 . . . . 0.0 111.477 173.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mt -58.99 -45.59 90.27 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 122.056 0.931 . . . . 0.0 112.447 175.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.58 -37.79 79.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.295 2.238 . . . . 0.0 111.563 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -61.98 -47.26 85.63 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.128 1.371 . . . . 0.0 111.632 170.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -66.43 -34.61 78.33 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.411 1.005 . . . . 0.0 113.107 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.03 83.0 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.918 0.781 . . . . 0.0 112.134 168.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.31 -42.04 94.74 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.477 1.511 . . . . 0.0 112.497 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.77 -68.25 0.36 Allowed 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.66 1.184 . . . . 0.0 110.735 172.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.9 p -79.89 62.46 4.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.243 1.817 . . . . 0.0 111.37 -172.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -33.89 98.03 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.303 2.241 . . . . 0.0 113.466 -145.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -141.63 149.33 40.52 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.487 1.915 . . . . 0.0 112.24 -162.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -86.39 149.41 25.03 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.959 0.904 . . . . 0.0 111.232 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 t -114.09 152.22 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.139 1.376 . . . . 0.0 111.384 -174.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -140.46 149.96 43.2 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.716 1.207 . . . . 0.0 111.85 171.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -129.97 120.22 24.45 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 125.393 1.477 . . . . 0.0 110.857 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.3 t80 . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 125.026 1.331 . . . . 0.0 110.107 -167.912 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 tp . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.68 -31.64 7.51 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.855 0.752 . . . . 0.0 112.085 162.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 m -54.39 -44.81 72.61 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.707 1.603 . . . . 0.0 112.08 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -58.47 4.36 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.04 0.936 . . . . 0.0 111.146 168.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 -154.683 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.404 ' C ' ' HG ' ' A' ' 91' ' ' SER . 21.2 t -127.29 157.9 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.395 1.478 . . . . 0.0 109.031 -170.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 14.6 m -145.53 154.05 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 120.168 -1.582 . . . . 0.0 110.323 158.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.7 mm -122.72 137.04 57.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 125.855 1.662 . . . . 0.0 108.625 -177.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.37 -63.79 1.34 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.039 1.735 . . . . 0.0 109.645 -171.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -121.93 93.28 3.95 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.081 1.352 . . . . 0.0 109.335 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.75 62.84 0.59 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.881 -0.512 . . . . 0.0 111.504 169.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.8 37.85 0.62 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.704 1.621 . . . . 0.0 113.51 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -141.46 -88.58 0.16 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.0 1.72 . . . . 0.0 109.505 -170.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -110.23 166.24 11.12 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 123.272 1.511 . . . . 0.0 113.146 165.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.451 ' CG ' ' HZ2' ' A' ' 13' ' ' LYS . 11.2 p-10 -53.39 4.2 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.961 1 C-N-CA 134.703 5.201 . . . . 0.0 119.868 -176.097 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.9 tt -51.47 -50.93 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 121.801 2.091 . . . . 0.0 113.974 -161.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.36 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 176.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 119.085 -0.483 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -45.64 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 117.647 -1.168 . . . . 0.0 110.336 173.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -52.23 -59.19 4.68 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.918 1.235 . . . . 0.0 112.06 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.34 -55.73 28.19 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.807 1.243 . . . . 0.0 111.013 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -68.08 -32.95 73.64 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -71.42 -38.38 71.4 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.628 174.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.71 98.16 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.374 0.988 . . . . 0.0 112.056 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.6 -46.88 67.18 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.408 1.083 . . . . 0.0 110.577 171.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.8 t -58.58 -56.62 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.984 0.914 . . . . 0.0 111.843 171.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.86 -14.29 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.54 1.936 . . . . 0.0 114.312 -178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -48.02 -42.84 29.17 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.02 1.328 . . . . 0.0 112.786 163.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.5 p -147.77 -12.66 0.38 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.102 1.889 . . . . 0.0 116.102 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.5 130.08 9.6 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.088 1.327 . . . . 0.0 110.925 173.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 139.02 38.7 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 122.371 -0.488 . . . . 0.0 110.624 -171.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -135.63 172.94 12.29 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.681 1.192 . . . . 0.0 113.748 -173.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -143.76 157.56 44.3 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.533 1.933 . . . . 0.0 111.147 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.9 mt -141.47 128.7 20.99 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.734 1.613 . . . . 0.0 112.951 -168.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.4 154.12 26.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.404 1.002 . . . . 0.0 113.311 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -52.96 -58.5 6.74 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.718 1.207 . . . . 0.0 113.926 -161.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -58.0 -42.86 86.06 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.242 0.617 . . . . 0.0 111.994 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -59.95 -50.48 73.58 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 126.565 1.946 . . . . 0.0 112.537 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.266 9.7 t -61.23 -62.66 1.68 Allowed 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 116.315 -1.802 . . . . 0.0 109.162 170.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.2 t -44.72 -50.36 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 121.599 1.999 . . . . 0.0 113.119 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.43 -58.29 6.06 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.863 1.265 . . . . 0.0 111.272 171.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -63.95 -35.67 81.44 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.625 1.57 . . . . 0.0 114.072 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.36 -42.92 78.49 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.719 0.808 . . . . 0.0 110.366 174.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -66.61 -22.87 66.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.996 0.918 . . . . 0.0 112.968 174.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -76.32 -2.98 34.27 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.584 1.153 . . . . 0.0 114.04 164.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.5 -19.39 0.88 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.792 1.663 . . . . 0.0 116.648 171.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -12.41 47.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.482 1.913 . . . . 0.0 114.065 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -59.52 153.28 19.92 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.909 1.284 . . . . 0.0 113.181 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? -138.72 -21.97 0.98 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 173.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.8 137.68 25.23 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.566 1.147 . . . . 0.0 109.907 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 pt -114.3 139.06 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.111 1.365 . . . . 0.0 110.943 168.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.3 mm -114.84 130.82 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.761 1.225 . . . . 0.0 108.508 170.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mt -119.47 107.46 21.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.36 80.99 1.4 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.42 1.088 . . . . 0.0 111.582 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.39 175.92 9.75 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.231 1.012 . . . . 0.0 110.915 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -72.04 41.87 0.08 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.052 1.341 . . . . 0.0 111.494 162.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -54.46 110.36 2.09 Favored Pre-proline 0 N--CA 1.469 0.503 0 C-N-CA 126.645 1.978 . . . . 0.0 112.973 -151.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.36 145.81 76.44 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.252 2.635 . . . . 0.0 112.373 171.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.62 -44.54 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.308 1.043 . . . . 0.0 112.101 -175.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.64 -39.83 94.38 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.816 0.735 . . . . 0.0 111.726 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -47.07 68.4 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.358 1.063 . . . . 0.0 110.546 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -61.08 -44.66 97.02 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 118.821 -0.609 . . . . 0.0 109.469 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -56.18 -43.74 78.69 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.512 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.92 -46.31 85.34 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.658 1.117 . . . . 0.0 112.24 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -57.64 -45.98 84.76 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 122.173 0.987 . . . . 0.0 113.253 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.5 -38.45 91.18 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.555 2.342 . . . . 0.0 111.794 175.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -60.14 -45.35 93.34 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.122 1.369 . . . . 0.0 111.179 170.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -68.04 -39.24 83.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.196 0.907 . . . . 0.0 113.253 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.17 -36.98 63.97 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.233 0.924 . . . . 0.0 112.882 169.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.3 ttp -79.52 -37.3 36.91 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.162 2.185 . . . . 0.0 114.422 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 mt -67.56 -54.49 19.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.087 1.355 . . . . 0.0 111.003 174.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.8 p -61.73 -176.18 0.08 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.123 0.569 . . . . 0.0 110.122 158.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.36 87.85 2.83 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.169 -1.582 . . . . 0.0 108.454 172.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.3 m -142.69 137.05 29.61 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.301 1.44 . . . . 0.0 110.321 -156.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.98 150.02 34.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.514 1.126 . . . . 0.0 110.502 175.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -115.94 140.06 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.752 1.221 . . . . 0.0 110.575 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -132.6 139.85 47.98 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.944 0.897 . . . . 0.0 112.983 164.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -104.64 87.66 2.74 Favored 'General case' 0 C--N 1.337 0.065 0 C-N-CA 125.52 1.528 . . . . 0.0 110.75 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 CA--C 1.546 0.82 0 C-N-CA 126.338 1.855 . . . . 0.0 108.073 169.097 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.98 -32.87 56.65 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 119.265 0.939 . . . . 0.0 114.754 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -70.76 -32.16 69.21 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.107 1.453 . . . . 0.0 111.777 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.8 78.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.582 0.753 . . . . 0.0 111.789 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 123.289 0.635 . . . . 0.0 112.623 176.611 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.468 0.474 0 CA-C-O 121.109 0.48 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.406 ' C ' ' HG ' ' A' ' 91' ' ' SER . 32.9 t -129.66 155.11 41.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 126.676 1.99 . . . . 0.0 108.046 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.406 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 14.1 m -146.84 146.15 30.11 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.26 -1.525 . . . . 0.0 111.062 162.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.0 mm -101.9 136.31 34.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 126.331 1.852 . . . . 0.0 108.411 174.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.47 -95.74 0.42 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.62 1.968 . . . . 0.0 109.682 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -81.93 79.89 8.35 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.754 1.622 . . . . 0.0 109.146 -173.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.35 51.79 0.07 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.107 2.563 . . . . 0.0 114.735 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.05 32.51 0.41 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.794 1.188 . . . . 0.0 114.547 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -142.1 -95.08 0.13 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.569 1.148 . . . . 0.0 111.939 -168.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.0 t -109.84 152.43 25.77 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 123.928 1.823 . . . . 0.0 114.255 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -54.61 4.53 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.816 1 C-N-CA 135.319 5.448 . . . . 0.0 117.921 170.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.5 tt -51.16 -39.61 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 121.513 1.96 . . . . 0.0 112.628 -170.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.484 0 C-N-CA 128.961 2.904 . . . . 0.0 116.456 171.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -53.46 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 118.985 -0.531 . . . . 0.0 109.658 169.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -56.65 -52.91 63.07 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.355 1.062 . . . . 0.0 111.61 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -56.99 -56.28 23.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.833 1.253 . . . . 0.0 112.016 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HZ3' ' CG ' ' A' ' 99' ' ' ASP . 31.1 ttpt -67.92 -31.39 71.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.779 0.718 . . . . 0.0 112.002 -176.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 tt -68.96 -39.04 79.73 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.34 -0.85 . . . . 0.0 111.794 173.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.42 90.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.675 1.125 . . . . 0.0 111.613 170.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.39 -34.35 64.27 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.788 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.2 t -70.98 -58.73 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.888 1.222 . . . . 0.0 111.614 168.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -48.35 -30.71 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.323 1.849 . . . . 0.0 114.004 -176.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -58.01 -19.82 33.95 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 p -142.15 -24.87 0.67 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 167.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.9 146.12 27.91 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.882 1.23 . . . . 0.0 112.888 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.4 119.91 23.08 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.869 0.868 . . . . 0.0 111.209 -171.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -120.59 171.53 8.5 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.81 1.644 . . . . 0.0 113.167 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -143.34 152.23 41.39 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.73 2.012 . . . . 0.0 110.378 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.3 mt -139.06 125.83 20.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.026 1.33 . . . . 0.0 113.97 -165.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.99 152.45 24.06 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.632 1.111 . . . . 0.0 113.097 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -50.39 -59.74 3.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.877 1.271 . . . . 0.0 113.019 -164.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -52.35 -47.97 65.78 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.34 1.056 . . . . 0.0 112.254 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.95 -56.51 21.27 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.964 1.706 . . . . 0.0 111.847 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -59.35 -55.86 29.44 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.457 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.5 t -50.04 -46.31 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 121.719 2.054 . . . . 0.0 112.966 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -56.11 -52.49 64.13 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.026 0.83 . . . . 0.0 112.178 170.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 m -58.24 -43.4 87.76 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.064 1.746 . . . . 0.0 113.134 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.1 mt -70.7 -41.43 71.96 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.45 1.5 . . . . 0.0 110.921 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -62.8 -28.05 69.73 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.847 0.748 . . . . 0.0 112.534 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.76 4.47 11.61 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.166 1.387 . . . . 0.0 114.167 166.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.04 -32.37 1.51 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.223 1.868 . . . . 0.0 116.584 162.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -74.94 15.44 0.39 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -167.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.6 p -75.66 164.69 26.03 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.873 -1.142 . . . . 0.0 112.431 172.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -132.54 -22.77 2.14 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 158.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.15 134.61 29.83 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.04 0.837 . . . . 0.0 110.738 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.6 pt -113.01 137.89 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.673 1.189 . . . . 0.0 111.077 167.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.8 mm -108.06 129.87 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 C-N-CA 124.982 1.313 . . . . 0.0 107.772 169.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.0 mt -118.1 97.93 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 172.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.85 53.33 0.7 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.839 1.656 . . . . 0.0 110.509 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.8 155.18 39.65 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.637 -0.665 . . . . 0.0 111.915 -174.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -61.69 62.93 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 129.571 3.149 . . . . 0.0 113.251 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.5 m -94.36 115.1 64.86 Favored Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 125.545 1.538 . . . . 0.0 111.56 -157.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.48 152.71 25.57 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.283 2.655 . . . . 0.0 113.578 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.27 -41.53 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.918 0.887 . . . . 0.0 112.597 -173.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.4 -19.03 63.04 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.195 -0.941 . . . . 0.0 112.547 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -43.6 9.91 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.403 1.081 . . . . 0.0 110.11 -178.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -42.82 95.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 119.139 -0.457 . . . . 0.0 110.821 167.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.7 m -60.45 -43.81 96.47 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.33 -0.843 . . . . 0.0 112.583 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -63.56 -42.59 98.35 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 120.071 1.305 . . . . 0.0 112.811 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.8 -44.72 96.48 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.242 -0.911 . . . . 0.0 113.361 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -62.75 -36.41 82.97 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 125.602 1.561 . . . . 0.0 112.237 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -62.5 -46.79 86.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.399 1.08 . . . . 0.0 111.459 169.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -62.69 -43.44 98.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.481 1.037 . . . . 0.0 112.328 173.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.41 -47.0 69.95 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.095 0.861 . . . . 0.0 112.133 171.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.9 ttp -59.59 -37.13 77.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.158 1.383 . . . . 0.0 112.698 173.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.45 -65.54 0.67 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.701 1.137 . . . . 0.0 111.425 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.7 p -77.33 53.71 1.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.434 1.894 . . . . 0.0 113.19 -169.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -31.92 96.43 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.12 1.768 . . . . 0.0 112.837 -136.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -137.26 148.33 46.36 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.968 2.507 . . . . 0.0 111.26 -161.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -87.09 150.33 24.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.812 1.245 . . . . 0.0 111.544 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.84 137.08 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.827 1.651 . . . . 0.0 110.661 173.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -128.34 112.98 15.03 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.574 1.15 . . . . 0.0 111.716 167.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -79.94 85.86 5.51 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.901 1.28 . . . . 0.0 111.536 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.545 0.762 0 C-N-CA 125.112 1.365 . . . . 0.0 110.986 177.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.62 -32.62 32.29 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 124.961 1.267 . . . . 0.0 112.614 168.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.3 m -56.76 -31.75 64.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.469 1.908 . . . . 0.0 112.504 173.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.27 -50.74 5.8 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 124.242 1.017 . . . . 0.0 112.751 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -170.326 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 121.407 0.622 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.414 ' C ' ' HG ' ' A' ' 91' ' ' SER . 41.4 t -130.72 156.8 42.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 127.04 2.136 . . . . 0.0 107.588 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 7.2 m -147.95 157.33 43.46 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 119.825 -1.797 . . . . 0.0 111.099 165.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -122.81 132.24 71.69 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 C-N-CA 126.293 1.837 . . . . 0.0 109.256 -174.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mp -114.51 -65.18 1.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.923 2.089 . . . . 0.0 111.78 -170.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.06 85.67 2.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.84 0.856 . . . . 0.0 109.77 -172.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.45 85.38 2.56 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 122.063 -0.398 . . . . 0.0 110.878 171.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.53 36.95 0.46 Allowed Glycine 0 CA--C 1.538 1.531 0 O-C-N 121.576 -0.703 . . . . 0.0 112.154 160.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -160.13 -154.81 0.41 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.893 1.677 . . . . 0.0 108.666 -155.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -54.64 148.88 11.71 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 124.596 2.141 . . . . 0.0 113.918 171.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.406 ' CG ' ' HZ3' ' A' ' 13' ' ' LYS . 11.2 p-10 -53.09 -4.12 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.723 1 C-N-CA 134.026 4.93 . . . . 0.0 117.636 174.736 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 tt -55.66 -32.43 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.306 1.412 . . . . 0.0 113.331 -164.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.262 1.1 pt? . . . . . 0 CA--C 1.539 0.527 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -73.22 11.8 0.9 Allowed 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 124.226 3.284 . . . . 0.0 115.774 -164.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.04 -41.47 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.063 1.345 . . . . 0.0 109.458 160.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -77.97 71.77 4.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.939 0.876 . . . . 0.0 109.577 161.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -62.39 -5.4 2.45 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -165.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -32.33 1.77 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.396 1.078 . . . . 0.0 112.486 158.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -51.52 -31.39 23.83 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 127.812 2.445 . . . . 0.0 114.225 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -60.5 -5.29 1.14 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 172.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -42.62 49.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 119.554 1.07 . . . . 0.0 109.629 159.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -54.46 -49.93 68.91 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.474 1.51 . . . . 0.0 111.749 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -57.83 -53.66 55.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.5 1.12 . . . . 0.0 111.112 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 56.7 tttp -64.79 -36.69 85.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.076 0.55 . . . . 0.0 112.364 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.07 -38.77 72.45 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.084 0.954 . . . . 0.0 112.429 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.76 -43.26 89.41 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.805 1.184 . . . . 0.0 111.536 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -51.63 -42.32 61.94 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.813 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 t -64.51 -59.0 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.698 1.199 . . . . 0.0 112.969 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -54.49 -19.7 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.693 1.997 . . . . 0.0 113.693 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -47.13 -35.23 6.91 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.892 1.677 . . . . 0.0 113.462 165.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.5 p -150.36 -16.46 0.24 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.36 152.22 35.68 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.884 1.23 . . . . 0.0 111.905 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -94.51 138.06 32.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.836 0.827 . . . . 0.0 113.15 -163.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -141.16 174.33 10.64 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.4 1.48 . . . . 0.0 113.627 -170.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -146.6 150.77 36.13 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.536 1.935 . . . . 0.0 110.723 173.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.9 mt -136.29 126.08 25.67 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.368 1.467 . . . . 0.0 114.248 -164.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.89 147.67 11.74 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 123.707 0.67 . . . . 0.0 112.599 177.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -44.82 -59.2 2.65 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.291 1.436 . . . . 0.0 113.112 -163.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -56.46 -39.68 73.59 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -71.02 -46.05 62.85 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 125.541 1.536 . . . . 0.0 112.523 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.255 5.2 t -60.15 -61.33 2.69 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 117.683 -1.151 . . . . 0.0 108.994 168.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -47.71 -45.69 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 120.174 1.352 . . . . 0.0 113.104 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -45.41 -69.62 0.13 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.783 1.233 . . . . 0.0 111.489 166.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.0 m -77.01 -15.15 59.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -171.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.9 mt -69.51 -42.83 74.21 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.078 0.854 . . . . 0.0 111.06 162.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -71.49 -20.13 62.11 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.793 0.724 . . . . 0.0 112.852 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -71.37 -6.9 43.57 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 160.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.87 3.92 81.35 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.283 1.42 . . . . 0.0 115.264 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -94.32 -4.39 48.75 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -153.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 p -83.52 161.16 21.32 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.614 1.565 . . . . 0.0 113.824 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -123.24 -16.12 7.02 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.947 1.299 . . . . 0.0 113.567 163.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.78 136.85 25.98 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 118.995 0.816 . . . . 0.0 111.207 173.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.0 pt -111.33 135.69 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.045 1.338 . . . . 0.0 111.054 165.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 36.8 mm -102.1 132.19 48.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 167.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -124.21 91.62 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 170.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.05 70.79 6.34 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.97 0.89 . . . . 0.0 111.513 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.6 148.5 16.15 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.718 2.007 . . . . 0.0 109.255 167.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -71.95 70.88 0.78 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.489 1.138 . . . . 0.0 110.747 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.7 m -78.13 130.47 72.28 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 127.261 2.224 . . . . 0.0 111.384 -156.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.61 152.86 77.63 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.553 2.169 . . . . 0.0 112.216 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.1 t -51.84 -46.6 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.631 1.572 . . . . 0.0 113.124 -165.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.97 -26.55 65.1 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -40.7 11.57 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.413 -0.805 . . . . 0.0 110.201 -176.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -49.01 79.08 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 168.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 m -63.5 -36.96 85.48 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 117.602 -1.189 . . . . 0.0 112.967 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.25 -43.32 95.22 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.661 1.573 . . . . 0.0 112.498 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.67 -43.94 93.8 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.106 0.866 . . . . 0.0 113.099 173.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.08 -40.36 93.4 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.72 2.008 . . . . 0.0 111.837 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -61.44 -46.49 89.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.102 1.361 . . . . 0.0 111.403 172.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -66.41 -36.71 83.51 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.114 -0.991 . . . . 0.0 112.935 173.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.97 -35.68 71.51 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.812 0.845 . . . . 0.0 113.039 170.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.7 ttp -78.31 -34.83 48.44 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.003 2.121 . . . . 0.0 114.031 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.93 -53.18 22.35 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.907 1.283 . . . . 0.0 111.35 173.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.5 p -62.29 -174.11 0.05 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.906 0.883 . . . . 0.0 110.309 156.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -121.82 75.75 1.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 O-C-N 119.529 -1.982 . . . . 0.0 109.573 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 86.5 m -132.54 133.56 43.88 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 114.434 -1.257 . . . . 0.0 111.222 -155.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -79.67 149.93 31.08 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.239 0.615 . . . . 0.0 110.937 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -113.2 128.86 69.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.539 1.136 . . . . 0.0 110.199 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -125.04 103.73 8.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.465 1.106 . . . . 0.0 111.062 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -79.49 87.97 5.08 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.877 1.271 . . . . 0.0 111.188 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -79.81 46.28 0.77 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.307 1.443 . . . . 0.0 108.68 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -74.79 -2.45 26.65 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -153.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -56.39 109.22 1.44 Allowed Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.939 1.257 . . . . 0.0 111.073 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.74 -32.57 2.17 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.672 2.082 . . . . 0.0 115.874 -169.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -38.85 -43.14 0.91 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.344 2.258 . . . . 0.0 113.815 167.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . 0.263 5.3 p30 36.95 66.42 0.42 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 128.571 2.748 . . . . 0.0 114.025 -169.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -61.02 -15.22 29.57 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.8 tp -48.35 -29.46 3.98 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.062 2.145 . . . . 0.0 113.807 170.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.51 -17.35 19.16 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 121.595 -0.691 . . . . 0.0 113.923 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -63.96 -38.65 91.86 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.687 1.195 . . . . 0.0 111.835 169.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.06 -26.14 59.15 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.758 1.223 . . . . 0.0 114.067 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.82 -3.79 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -164.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.73 91.65 1.77 Allowed Glycine 0 CA--C 1.528 0.857 0 CA-C-N 119.13 0.877 . . . . 0.0 111.467 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -47.98 -10.09 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 129.297 3.039 . . . . 0.0 117.987 -169.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.53 -32.99 29.98 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.833 2.053 . . . . 0.0 114.45 -176.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -61.53 -24.57 66.71 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.198 0.999 . . . . 0.0 113.682 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . 0.443 0.0 OUTLIER 36.16 6.37 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 1 C-N-CA 133.708 4.803 . . . . 0.0 119.896 -169.224 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.7 m -122.63 147.0 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.424 1.89 . . . . 0.0 107.466 147.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.31 72.94 0.21 Allowed Glycine 0 N--CA 1.467 0.753 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.011 -166.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.7 p -93.65 116.65 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 117.697 0.749 . . . . 0.0 110.337 170.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.409 ' C ' ' HG ' ' A' ' 91' ' ' SER . 43.5 t -135.83 158.46 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.824 1.649 . . . . 0.0 108.432 -172.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.409 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 13.5 m -146.93 151.41 36.98 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 119.753 -1.842 . . . . 0.0 110.634 166.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.4 mm -123.22 133.51 68.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 C-N-CA 125.771 1.628 . . . . 0.0 109.588 -172.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 mp -115.57 -106.89 0.38 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.355 2.662 . . . . 0.0 108.517 -169.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.54 82.09 3.23 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.831 -1.168 . . . . 0.0 110.698 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 51.99 0.07 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.066 1.746 . . . . 0.0 113.285 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.49 47.68 1.16 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.633 1.587 . . . . 0.0 113.972 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -144.51 -83.99 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.713 1.605 . . . . 0.0 110.171 -174.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -108.38 155.16 20.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 123.355 1.55 . . . . 0.0 111.914 163.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.417 ' CG ' ' HZ2' ' A' ' 13' ' ' LYS . 8.2 p-10 -52.41 -1.1 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 1 C-N-CA 135.128 5.371 . . . . 0.0 117.586 177.51 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.419 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 13.8 tt -45.25 -49.2 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 120.087 1.312 . . . . 0.0 114.369 -157.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.56 -0.84 56.18 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -173.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 t -106.82 0.36 23.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.029 1.332 . . . . 0.0 113.203 157.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 20.1 m -96.15 -41.63 8.61 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.237 1.415 . . . . 0.0 110.665 169.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.66 4.32 1.97 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.285 1.834 . . . . 0.0 114.297 168.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 N-CA-C 117.647 2.462 . . . . 0.0 117.647 -129.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -81.27 11.87 2.89 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 124.538 3.492 . . . . 0.0 113.892 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -58.91 132.47 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.183 1.393 . . . . 0.0 113.021 -162.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -90.53 3.0 55.23 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 131.298 3.839 . . . . 0.0 113.883 -8.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.22 107.67 0.08 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.526 2.73 . . . . 0.0 114.921 -163.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -24.21 52.74 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 -159.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.407 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -74.34 -46.4 41.06 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.441 1.496 . . . . 0.0 111.266 166.681 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -65.15 -39.88 93.59 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 125.551 1.54 . . . . 0.0 111.91 -172.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -48.35 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.419 177.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.96 -59.42 5.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.172 0.989 . . . . 0.0 110.228 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -63.46 -47.06 83.41 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -63.34 -34.85 78.6 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.652 -0.655 . . . . 0.0 111.892 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.25 -44.59 79.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.422 -0.799 . . . . 0.0 111.185 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.68 90.82 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.508 1.049 . . . . 0.0 112.076 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tt -54.47 -50.28 68.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.647 1.579 . . . . 0.0 111.125 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -55.97 -48.95 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.089 0.956 . . . . 0.0 112.404 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mt -54.72 -20.46 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 125.398 1.479 . . . . 0.0 113.762 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -57.0 -30.43 64.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.554 1.525 . . . . 0.0 113.363 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.9 p -150.85 -4.99 0.3 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -175.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.32 165.53 34.2 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.636 1.112 . . . . 0.0 113.535 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -93.8 112.9 24.84 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.754 1.222 . . . . 0.0 110.779 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -128.16 174.69 9.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.751 1.22 . . . . 0.0 113.802 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -148.05 148.92 31.2 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.286 1.835 . . . . 0.0 110.762 174.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -137.56 129.89 29.43 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.603 1.561 . . . . 0.0 113.766 -166.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.72 149.23 24.46 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.773 0.701 . . . . 0.0 111.791 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 35.2 t80 -57.01 -53.41 58.38 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -163.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -54.0 -46.89 71.88 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.396 1.078 . . . . 0.0 111.372 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -58.65 -53.18 61.3 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.73 1.612 . . . . 0.0 112.074 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.268 7.7 t -60.52 -56.59 19.55 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 116.734 -1.603 . . . . 0.0 110.185 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.4 t -48.25 -51.5 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 121.602 2.001 . . . . 0.0 112.755 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -49.93 -57.74 6.86 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.046 1.338 . . . . 0.0 111.19 171.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 m -61.78 -44.23 97.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.836 1.254 . . . . 0.0 112.757 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.5 mt -65.13 -39.64 93.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.533 1.133 . . . . 0.0 111.373 176.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -66.11 -35.62 80.99 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.795 0.838 . . . . 0.0 112.63 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -73.29 -40.85 64.22 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.71 -171.85 38.55 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 117.159 1.623 . . . . 0.0 117.159 -169.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.47 89.66 0.15 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.265 1.826 . . . . 0.0 112.934 -171.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -64.18 171.95 2.72 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.276 -0.89 . . . . 0.0 111.213 150.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -134.66 -24.02 1.56 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 164.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -143.68 129.81 19.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.138 1.775 . . . . 0.0 108.75 178.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.0 pt -113.12 150.49 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.738 0.699 . . . . 0.0 111.364 166.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.5 mm -120.54 135.07 61.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 124.769 1.227 . . . . 0.0 109.694 175.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.11 92.2 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.636 0.732 . . . . 0.0 109.066 164.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -109.36 55.24 0.64 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.359 2.263 . . . . 0.0 109.275 165.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.5 159.54 43.95 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.768 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -66.54 55.74 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 129.375 3.07 . . . . 0.0 112.446 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.3 m -105.49 101.5 32.2 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 129.629 3.172 . . . . 0.0 109.876 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.31 174.13 12.61 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.586 2.858 . . . . 0.0 114.227 -168.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.2 t -51.8 -44.99 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 126.225 1.81 . . . . 0.0 114.744 -164.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.95 -39.27 72.71 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.715 1.143 . . . . 0.0 111.732 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.482 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -68.11 -46.76 70.01 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 127.203 2.201 . . . . 0.0 111.583 -175.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -57.04 -45.05 83.45 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -75.56 -25.15 56.86 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 122.824 0.45 . . . . 0.0 111.756 -168.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.45 -49.91 73.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.818 160.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.45 -44.66 76.6 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 120.424 1.466 . . . . 0.0 112.868 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.74 -47.26 77.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.682 2.393 . . . . 0.0 111.035 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.5 -49.85 75.93 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.003 1.321 . . . . 0.0 112.204 172.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -62.94 -40.79 98.73 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.195 -0.941 . . . . 0.0 112.089 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.83 91.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.009 0.924 . . . . 0.0 112.679 170.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -57.87 -38.44 75.72 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.785 0.834 . . . . 0.0 111.982 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.11 -68.22 0.38 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.77 1.168 . . . . 0.0 111.645 170.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.4 p -77.18 66.76 3.03 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.323 1.449 . . . . 0.0 111.578 -175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -33.91 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.535 2.334 . . . . 0.0 114.834 -146.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -134.57 147.28 50.23 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.418 1.887 . . . . 0.0 111.95 -165.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.13 153.62 21.38 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.375 0.67 . . . . 0.0 111.203 172.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.37 96.69 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 125.753 1.621 . . . . 0.0 109.96 -171.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -83.36 102.37 11.96 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.772 0.796 . . . . 0.0 110.435 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -79.03 122.8 26.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.784 0.802 . . . . 0.0 111.576 173.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -134.06 26.71 3.9 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.408 2.683 . . . . 0.0 107.932 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -75.04 30.76 0.09 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.903 2.081 . . . . 0.0 113.834 -169.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.73 60.87 1.64 Allowed Glycine 0 CA--C 1.532 1.155 0 O-C-N 120.29 -1.506 . . . . 0.0 111.39 170.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.63 -82.89 0.35 Allowed Glycine 0 CA--C 1.538 1.518 0 C-N-CA 127.376 2.417 . . . . 0.0 111.705 -168.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -134.32 -66.18 0.62 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.424 2.69 . . . . 0.0 111.4 -0.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 63.82 2.94 1.45 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.91 2.084 . . . . 0.0 115.772 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -73.3 -16.72 61.37 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.154 1.343 . . . . 0.0 112.761 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.38 -15.82 19.01 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.224 -0.922 . . . . 0.0 112.488 161.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.55 -40.09 23.83 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 118.185 -1.342 . . . . 0.0 112.569 161.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.3 m -55.15 -31.43 61.31 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.25 2.025 . . . . 0.0 112.804 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.0 -65.67 0.74 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.977 0.808 . . . . 0.0 111.583 162.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 m -90.99 -10.83 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -154.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.71 -4.84 0.05 OUTLIER Glycine 0 CA--C 1.535 1.324 0 N-CA-C 117.835 1.894 . . . . 0.0 117.835 -177.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.25 -70.53 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 131.073 3.749 . . . . 0.0 114.08 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -82.12 -34.55 29.18 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.381 1.472 . . . . 0.0 113.407 171.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -94.24 127.86 40.35 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.414 1.006 . . . . 0.0 110.754 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -140.78 86.33 2.04 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.618 1.167 . . . . 0.0 112.015 -152.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -139.97 103.72 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.989 1.716 . . . . 0.0 107.467 165.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.59 43.22 3.13 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-N 120.562 1.528 . . . . 0.0 114.481 -165.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 p -100.32 108.7 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 118.202 1.001 . . . . 0.0 109.348 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.2 t -134.48 156.94 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.665 1.186 . . . . 0.0 109.466 -164.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.8 m -147.47 148.82 31.65 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 120.541 -1.35 . . . . 0.0 110.935 163.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.0 mm -120.87 132.51 70.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 125.853 1.661 . . . . 0.0 108.722 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.92 -58.37 2.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.256 1.822 . . . . 0.0 110.033 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -131.63 113.34 13.48 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.051 1.741 . . . . 0.0 109.084 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.89 73.04 1.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.581 0.752 . . . . 0.0 111.874 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.5 44.96 0.36 Allowed Glycine 0 CA--C 1.535 1.326 0 C-N-CA 126.66 2.076 . . . . 0.0 115.303 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -158.24 -81.87 0.06 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.205 1.402 . . . . 0.0 111.232 164.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -107.95 163.31 13.24 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.39 1.476 . . . . 0.0 113.288 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -64.77 12.22 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.811 2.844 . . . . 0.0 117.495 -162.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.8 tt -49.59 -43.5 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 120.003 1.274 . . . . 0.0 114.28 -157.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.251 0.2 OUTLIER -91.09 -4.62 56.1 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -175.355 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.409 ' C ' ' H ' ' A' ' 104' ' ' LEU . 31.6 p -57.04 -82.17 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.69 1.596 . . . . 0.0 113.157 -174.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.9 p -74.51 15.1 0.38 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.981 1.712 . . . . 0.0 113.385 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 102' ' ' THR . 0.4 OUTLIER -103.28 -12.32 17.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.508 2.323 . . . . 0.0 112.841 172.522 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.515 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -157.726 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 118.757 -0.639 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.02 37.85 0.65 Allowed 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 125.022 3.815 . . . . 0.0 114.375 -164.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t -66.46 139.7 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 124.961 1.304 . . . . 0.0 110.475 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -55.34 147.95 15.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.318 1.447 . . . . 0.0 110.713 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -93.27 21.59 5.88 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 130.689 3.595 . . . . 0.0 114.92 -9.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -59.17 -28.59 66.75 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -171.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.3 -29.36 70.45 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.872 0.869 . . . . 0.0 112.741 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -79.31 -42.0 26.74 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.487 1.515 . . . . 0.0 112.904 -174.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -50.53 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 118.935 0.789 . . . . 0.0 108.959 169.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -55.94 9.79 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.731 1.612 . . . . 0.0 111.929 170.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.87 -47.39 85.21 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.178 0.991 . . . . 0.0 112.541 -177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.94 -40.86 98.94 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.572 0.749 . . . . 0.0 111.38 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.9 -39.73 94.87 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.736 0.815 . . . . 0.0 111.846 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.98 -48.52 79.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.552 1.069 . . . . 0.0 112.016 172.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -53.67 -43.79 69.15 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 124.674 1.19 . . . . 0.0 110.461 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -59.92 -57.56 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.276 1.03 . . . . 0.0 112.416 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mt -50.74 -29.37 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.317 1.847 . . . . 0.0 113.5 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -21.86 7.17 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 171.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 p -151.52 -14.04 0.2 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 163.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.35 157.83 43.03 Favored Glycine 0 CA--C 1.534 1.276 0 CA-C-N 119.949 1.25 . . . . 0.0 113.193 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -79.36 110.42 14.63 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.887 -0.773 . . . . 0.0 111.879 -171.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -118.41 173.34 6.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.07 1.348 . . . . 0.0 113.84 174.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -146.0 163.37 35.41 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.783 2.033 . . . . 0.0 110.954 171.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.9 mt -143.64 145.63 32.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.773 2.029 . . . . 0.0 111.716 -170.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.51 159.4 35.39 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.122 1.344 . . . . 0.0 113.013 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -65.6 -80.41 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -164.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -20.95 66.42 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.33 -1.481 . . . . 0.0 111.887 178.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.6 t -55.23 -56.34 21.09 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 127.133 2.173 . . . . 0.0 112.896 167.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 t -62.51 -45.58 92.36 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 116.723 -1.608 . . . . 0.0 110.535 172.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.6 t -47.49 -55.59 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 121.973 2.17 . . . . 0.0 112.672 176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -50.64 58.7 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.624 1.97 . . . . 0.0 111.198 172.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -65.21 -41.14 94.76 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.918 1.287 . . . . 0.0 113.579 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.22 -29.87 71.12 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.668 1.987 . . . . 0.0 111.155 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -43.01 36.09 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.152 1.381 . . . . 0.0 112.825 170.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -63.6 -41.84 98.3 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.76 168.89 21.66 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.05 1.18 . . . . 0.0 116.05 -163.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -69.07 71.5 0.24 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.41 2.284 . . . . 0.0 112.077 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.5 p -62.12 152.29 33.31 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -142.18 -26.29 0.65 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 169.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.31 123.52 12.21 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.24 0.927 . . . . 0.0 109.907 -179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.3 pt -106.05 144.78 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 118.748 0.704 . . . . 0.0 111.051 168.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.5 mm -110.65 134.47 52.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 125.118 1.367 . . . . 0.0 108.608 172.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mt -123.89 90.72 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.33 51.21 0.82 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.355 2.262 . . . . 0.0 110.416 172.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.78 168.37 19.83 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.335 1.454 . . . . 0.0 111.447 -172.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -68.37 55.22 0.08 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.782 2.033 . . . . 0.0 113.804 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.3 m -98.98 108.51 49.68 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 125.566 1.546 . . . . 0.0 112.026 -162.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -77.99 174.2 12.86 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.809 3.006 . . . . 0.0 112.573 172.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.4 t -53.02 -46.78 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.997 1.719 . . . . 0.0 113.451 -172.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.37 -44.96 89.75 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.259 0.936 . . . . 0.0 111.702 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -64.68 -45.52 86.33 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.612 1.165 . . . . 0.0 111.16 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -62.69 -43.07 99.74 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.244 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -56.72 -40.18 75.22 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.117 0.967 . . . . 0.0 111.893 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -55.61 32.27 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.885 0.766 . . . . 0.0 111.106 171.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.78 -43.15 85.35 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.167 0.984 . . . . 0.0 112.992 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -62.44 -35.47 79.35 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 128.029 2.532 . . . . 0.0 112.208 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.19 -48.5 78.09 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.154 0.888 . . . . 0.0 111.596 168.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -66.48 -30.63 71.01 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.154 -0.966 . . . . 0.0 113.348 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.73 71.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.966 1.306 . . . . 0.0 112.174 165.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -56.11 -41.61 75.51 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.808 1.243 . . . . 0.0 112.413 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.66 -78.75 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.328 1.051 . . . . 0.0 112.466 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 p -80.4 78.16 7.12 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.034 1.334 . . . . 0.0 109.374 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -35.34 100.39 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.326 2.25 . . . . 0.0 113.131 -152.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -137.25 146.05 44.31 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.689 2.396 . . . . 0.0 109.732 -165.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -87.41 155.01 20.22 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.286 0.493 . . . . 0.0 111.114 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.03 107.92 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 126.081 1.752 . . . . 0.0 110.157 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -95.83 101.69 13.4 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.888 0.851 . . . . 0.0 110.795 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -77.95 108.76 11.44 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.375 1.07 . . . . 0.0 110.613 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -123.6 10.65 9.1 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.196 1.798 . . . . 0.0 110.372 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -72.2 25.18 0.05 Allowed 'General case' 0 CA--C 1.548 0.89 0 O-C-N 119.541 -1.974 . . . . 0.0 115.84 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.6 46.42 0.54 Allowed Glycine 0 CA--C 1.534 1.251 0 C-N-CA 128.012 2.72 . . . . 0.0 116.213 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.3 48.11 60.14 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 118.711 1.256 . . . . 0.0 111.177 -171.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -127.05 155.77 42.73 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.987 1.315 . . . . 0.0 113.129 -161.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.71 -8.07 0.57 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 126.811 2.044 . . . . 0.0 112.221 170.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mp0 -54.2 -31.46 53.09 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 129.054 2.942 . . . . 0.0 113.535 -167.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.85 -21.79 21.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.905 2.082 . . . . 0.0 113.772 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.76 -24.9 34.68 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.163 -0.798 . . . . 0.0 113.561 167.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 m -64.2 -47.72 78.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.172 1.389 . . . . 0.0 111.005 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.14 -39.54 82.65 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.3 m -89.82 -14.53 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.69 50.54 35.74 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 125.175 1.369 . . . . 0.0 111.528 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -142.6 131.05 22.33 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.481 1.512 . . . . 0.0 110.513 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.6 12.32 1.06 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.477 1.511 . . . . 0.0 113.729 174.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.72 161.71 11.97 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.289 1.036 . . . . 0.0 113.711 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 -107.8 3.28 24.29 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m -137.36 91.51 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.977 1.711 . . . . 0.0 109.963 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.54 55.35 2.47 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.978 1.275 . . . . 0.0 113.963 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.8 p -88.8 114.78 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.827 0.823 . . . . 0.0 109.284 167.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.422 ' C ' ' HG ' ' A' ' 91' ' ' SER . 30.9 t -135.66 157.41 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 126.001 1.721 . . . . 0.0 107.621 -172.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.422 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 13.6 m -150.94 152.64 33.88 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 119.85 -1.781 . . . . 0.0 111.205 167.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.8 mm -121.66 134.37 65.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 126.298 1.839 . . . . 0.0 108.724 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.38 -67.78 0.96 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.524 1.53 . . . . 0.0 109.216 -173.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -123.93 89.46 3.09 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.204 1.002 . . . . 0.0 110.163 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.75 65.11 0.69 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.732 0.813 . . . . 0.0 111.767 171.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.36 43.98 0.9 Allowed Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.01 1.29 . . . . 0.0 112.983 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -145.6 -84.37 0.13 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.475 1.51 . . . . 0.0 110.072 -167.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 t -107.79 152.52 24.26 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 123.767 1.746 . . . . 0.0 111.519 160.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -52.23 11.78 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.824 1 C-N-CA 135.897 5.679 . . . . 0.0 117.319 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 tt -52.02 -52.68 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 121.171 1.805 . . . . 0.0 112.916 -169.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.313 0.1 OUTLIER -67.81 6.58 0.65 Allowed 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 175.156 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 55.0 p -79.56 -56.54 4.23 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.52 1.055 . . . . 0.0 111.253 161.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.4 t -107.07 -12.76 15.34 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -172.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.54 -6.13 20.87 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.713 1.605 . . . . 0.0 111.704 176.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.286 1.434 . . . . 0.0 111.489 157.626 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 116.099 -1.905 . . . . 0.0 108.43 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -54.08 160.62 5.98 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.779 2.319 . . . . 0.0 114.626 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.0 t -43.4 -43.69 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.543 1.937 . . . . 0.0 114.675 -165.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' HZ2' ' CD ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -64.05 -14.66 56.07 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -178.375 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -90.49 -9.38 47.53 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.181 1.355 . . . . 0.0 113.829 167.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -95.04 -54.63 3.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.312 1.445 . . . . 0.0 114.38 -170.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.45 ' CD ' ' H ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -69.17 -46.92 66.35 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -171.08 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.45 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 17.6 m -72.74 -38.48 67.39 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.69 0.796 . . . . 0.0 110.911 -170.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -46.63 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.242 169.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -52.5 -55.14 24.12 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 120.055 1.298 . . . . 0.0 111.017 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -52.77 -61.62 2.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.857 0.863 . . . . 0.0 111.444 177.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -66.05 -37.04 84.83 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.98 -38.95 76.18 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.186 -0.912 . . . . 0.0 112.002 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.34 89.79 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.104 1.32 . . . . 0.0 112.068 172.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.35 -43.04 64.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.543 1.137 . . . . 0.0 110.841 171.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -63.55 -57.95 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.172 0.989 . . . . 0.0 112.838 169.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.5 mt -51.5 -31.4 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.43 1.492 . . . . 0.0 113.139 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -16.7 4.88 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.44 1.496 . . . . 0.0 114.435 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.3 p -148.82 -14.34 0.32 Allowed 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 164.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.47 170.78 39.18 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.465 1.507 . . . . 0.0 114.827 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.07 112.15 23.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.78 1.232 . . . . 0.0 111.346 -174.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -123.34 172.17 8.86 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.657 1.583 . . . . 0.0 113.618 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 t -142.77 156.97 45.07 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.49 1.916 . . . . 0.0 110.875 171.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.6 mt -141.06 130.81 24.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.069 1.748 . . . . 0.0 113.255 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.98 151.16 21.63 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.609 1.099 . . . . 0.0 113.032 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -50.64 -57.5 8.08 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.842 1.257 . . . . 0.0 113.53 -162.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -55.58 -47.03 77.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.041 0.937 . . . . 0.0 112.101 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -60.5 -47.4 86.32 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 127.138 2.175 . . . . 0.0 112.845 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -66.0 -58.47 5.44 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 116.72 -1.61 . . . . 0.0 109.203 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -46.86 -49.75 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.561 1.982 . . . . 0.0 113.147 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -44.12 -65.11 0.55 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.516 1.527 . . . . 0.0 111.332 166.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -70.04 -27.2 64.46 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.146 1.378 . . . . 0.0 113.681 -169.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 mt -75.02 -38.78 61.42 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.393 1.077 . . . . 0.0 111.422 171.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -68.17 -20.83 64.9 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.668 0.667 . . . . 0.0 112.445 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -75.12 3.41 8.65 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.12 1.368 . . . . 0.0 113.849 161.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.9 -48.49 3.9 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.764 1.65 . . . . 0.0 115.725 160.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -78.98 20.39 0.48 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -164.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.8 p -70.68 162.58 28.76 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.594 1.088 . . . . 0.0 111.636 167.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -130.76 -14.71 3.55 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 164.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -139.23 130.45 26.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.661 1.119 . . . . 0.0 110.748 -179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 pt -114.93 138.59 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.022 0.929 . . . . 0.0 111.182 161.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 mm -111.63 139.84 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 124.273 1.029 . . . . 0.0 108.466 167.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 mt -122.67 94.04 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.21 58.86 3.37 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 123.594 1.664 . . . . 0.0 110.866 169.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.93 140.29 32.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.888 1.275 . . . . 0.0 110.826 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -73.04 72.98 1.17 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.341 1.856 . . . . 0.0 108.4 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.8 m -91.23 117.89 68.15 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 124.775 1.23 . . . . 0.0 112.383 -149.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.34 148.53 41.45 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.405 2.737 . . . . 0.0 113.301 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.9 -45.32 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.624 1.17 . . . . 0.0 112.472 -173.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.65 -39.67 94.11 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.864 0.756 . . . . 0.0 112.127 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -46.89 72.72 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.825 1.25 . . . . 0.0 110.202 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -62.66 -44.65 95.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.413 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.6 m -56.33 -41.26 75.77 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 123.975 0.91 . . . . 0.0 111.62 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -64.06 -47.6 79.51 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.271 0.941 . . . . 0.0 112.162 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 mt -58.6 -44.32 89.82 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.836 0.827 . . . . 0.0 112.986 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -63.74 -38.1 89.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.815 2.446 . . . . 0.0 111.793 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -62.54 -47.21 84.89 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.671 1.188 . . . . 0.0 111.448 169.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -66.47 -34.86 78.88 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.145 -0.972 . . . . 0.0 112.898 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.72 67.79 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 119.061 0.846 . . . . 0.0 113.151 168.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -81.66 -35.13 30.29 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.702 2.001 . . . . 0.0 114.03 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.08 -51.86 34.41 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.528 1.058 . . . . 0.0 111.549 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.6 p -61.73 -174.94 0.05 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.162 0.585 . . . . 0.0 110.241 156.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -121.99 75.98 1.26 Allowed 'General case' 0 N--CA 1.474 0.734 0 O-C-N 119.767 -1.833 . . . . 0.0 109.456 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 90.7 m -131.78 139.28 48.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.449 -154.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -78.78 143.16 36.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.467 1.107 . . . . 0.0 110.637 170.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.64 129.02 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.179 1.392 . . . . 0.0 110.013 172.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -123.69 106.02 10.18 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.738 1.215 . . . . 0.0 110.918 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -78.71 82.54 4.93 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.754 1.222 . . . . 0.0 111.268 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -76.58 -27.82 55.98 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 123.514 0.726 . . . . 0.0 111.653 -167.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.96 116.13 1.54 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.357 1.063 . . . . 0.0 112.159 -161.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -74.46 14.66 4.04 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.678 1.609 . . . . 0.0 114.218 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.49 -14.63 6.62 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 124.034 0.826 . . . . 0.0 113.024 -133.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.59 -173.78 4.22 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.421 2.288 . . . . 0.0 112.166 -162.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.21 17.2 14.82 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 128.139 2.576 . . . . 0.0 113.321 -161.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.9 pm0 -61.85 -8.09 4.51 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -168.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.1 tp -54.21 -19.76 5.75 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.964 1.706 . . . . 0.0 113.51 161.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.77 -31.67 2.75 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.739 1.161 . . . . 0.0 113.827 163.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -56.71 -52.25 65.66 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.431 1.492 . . . . 0.0 111.419 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.56 -38.68 80.95 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 m -92.11 -16.0 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -172.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.14 -47.21 1.93 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 126.74 2.114 . . . . 0.0 113.037 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -75.05 68.51 1.86 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.895 1.678 . . . . 0.0 109.415 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.81 18.65 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 129.243 3.017 . . . . 0.0 118.119 -168.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -67.03 164.25 18.17 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -176.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -97.6 150.5 21.07 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.921 1.288 . . . . 0.0 109.37 164.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.1 m -67.23 132.4 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 129.584 3.154 . . . . 0.0 111.185 -13.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.9 46.23 3.1 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 118.662 0.665 . . . . 0.0 113.135 -174.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -84.42 133.38 29.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 O-C-N 121.794 -0.827 . . . . 0.0 110.084 175.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.406 ' C ' ' HG ' ' A' ' 91' ' ' SER . 21.6 t -130.86 155.43 41.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 126.758 2.023 . . . . 0.0 107.804 -175.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.406 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 6.9 m -148.25 151.41 35.4 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 120.133 -1.604 . . . . 0.0 111.056 164.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.2 mm -121.1 137.07 56.01 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 C-N-CA 125.763 1.625 . . . . 0.0 110.008 -178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mp -119.96 -41.58 2.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.424 1.89 . . . . 0.0 112.655 -170.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.8 100.64 4.37 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.337 1.055 . . . . 0.0 109.456 169.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.09 66.85 1.69 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.456 0.646 . . . . 0.0 111.269 173.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.21 27.5 0.32 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.416 1.484 . . . . 0.0 115.894 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -137.86 -78.3 0.37 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.028 1.414 . . . . 0.0 110.091 -170.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -108.68 163.42 13.26 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 123.073 1.416 . . . . 0.0 111.953 159.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -52.44 7.2 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.919 1 C-N-CA 134.448 5.099 . . . . 0.0 118.57 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.7 tt -50.83 -47.15 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 121.102 1.774 . . . . 0.0 112.532 -161.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.311 0.1 OUTLIER -84.25 7.1 20.28 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -174.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.5 t -108.99 -13.96 14.63 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 160.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.5 p -107.93 -47.17 3.63 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.52 1.509 . . . . 0.0 114.289 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -83.65 -30.33 26.95 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.336 1.454 . . . . 0.0 111.018 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 116.437 -1.744 . . . . 0.0 114.204 175.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 117.68 -1.152 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 68' ' ' TYR . 42.7 Cg_endo -65.75 1.91 1.97 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 124.583 3.522 . . . . 0.0 118.065 -170.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p -81.2 -41.99 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 124.3 1.04 . . . . 0.0 111.782 162.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -92.74 -50.77 5.41 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.292 1.437 . . . . 0.0 114.726 -171.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -68.31 18.06 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 116.766 2.135 . . . . 0.0 116.766 -154.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -64.55 -29.18 70.2 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.941 2.096 . . . . 0.0 115.607 -162.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -42.98 13.4 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 119.044 0.838 . . . . 0.0 110.733 174.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 t -54.7 -52.67 61.69 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 125.681 1.592 . . . . 0.0 110.804 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -51.76 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 123.961 0.904 . . . . 0.0 111.817 176.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -59.92 -50.43 73.8 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.168 0.895 . . . . 0.0 110.629 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -59.02 5.85 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.368 1.067 . . . . 0.0 111.878 172.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -58.45 -42.75 88.09 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.986 1.315 . . . . 0.0 111.42 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -69.41 -42.27 75.3 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.919 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.81 97.87 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.182 1.355 . . . . 0.0 111.925 172.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.75 -43.6 80.91 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.915 0.886 . . . . 0.0 110.89 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.2 t -59.77 -57.29 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.964 0.906 . . . . 0.0 111.875 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.3 -29.76 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.713 1.605 . . . . 0.0 113.248 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -23.87 12.55 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 171.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 p -154.68 -15.61 0.12 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 165.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.37 158.03 43.22 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-N 120.008 1.276 . . . . 0.0 112.556 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -89.04 111.66 22.44 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.856 -0.791 . . . . 0.0 111.869 -167.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -115.24 171.45 7.68 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.489 1.516 . . . . 0.0 113.662 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.4 t -143.93 151.61 40.01 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.741 2.016 . . . . 0.0 110.714 171.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -139.49 134.39 32.21 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.538 1.535 . . . . 0.0 112.961 -171.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.66 146.92 20.33 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 124.054 0.835 . . . . 0.0 111.878 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -54.48 -50.96 66.52 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.047 0.939 . . . . 0.0 113.23 -164.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.46 -46.35 76.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.21 1.004 . . . . 0.0 112.036 175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -62.9 -48.12 80.35 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 126.942 2.097 . . . . 0.0 112.822 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.275 8.0 t -59.98 -65.37 0.69 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-O 116.197 -1.858 . . . . 0.0 109.303 168.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.3 t -45.35 -48.9 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 121.642 2.019 . . . . 0.0 113.203 -177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -48.15 -60.89 2.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.639 1.175 . . . . 0.0 111.19 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 m -59.76 -35.84 75.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.272 1.429 . . . . 0.0 113.649 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.33 -40.92 61.89 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.361 0.665 . . . . 0.0 111.23 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -68.07 -28.23 67.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.372 1.069 . . . . 0.0 112.762 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -68.95 -3.19 11.89 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.648 1.179 . . . . 0.0 113.461 162.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.66 4.02 74.51 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.397 1.475 . . . . 0.0 114.716 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 0.86 23.04 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -152.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.7 p -68.31 168.9 11.55 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.877 0.871 . . . . 0.0 112.249 164.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -136.45 -16.86 1.55 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 158.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -140.88 133.37 28.48 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.244 1.017 . . . . 0.0 109.993 171.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.6 pt -111.41 148.16 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.718 1.207 . . . . 0.0 111.904 168.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.4 mm -119.22 139.77 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.865 1.266 . . . . 0.0 109.331 170.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.39 85.0 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.556 0.742 . . . . 0.0 109.107 167.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.3 53.05 0.95 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.221 1.808 . . . . 0.0 110.017 166.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.5 137.72 21.84 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.958 1.703 . . . . 0.0 108.408 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -65.05 83.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 122.651 1.215 . . . . 0.0 112.481 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.1 m -106.5 109.47 63.15 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 128.037 2.535 . . . . 0.0 110.48 -163.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.76 165.42 29.69 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.575 2.183 . . . . 0.0 112.979 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.8 t -51.5 -52.66 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.371 1.468 . . . . 0.0 113.551 -165.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.24 -37.95 87.39 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.11 0.868 . . . . 0.0 112.075 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -47.51 69.11 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.813 1.645 . . . . 0.0 110.406 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -62.92 -46.28 88.55 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 t -59.53 -33.3 71.21 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.309 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -67.65 -48.84 65.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.489 1.041 . . . . 0.0 111.273 172.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.13 -44.07 87.58 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.057 0.844 . . . . 0.0 112.537 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -61.09 -42.36 98.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.652 2.381 . . . . 0.0 111.417 176.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.65 -48.29 82.25 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.769 1.228 . . . . 0.0 111.701 169.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -65.77 -38.55 89.37 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.273 -0.892 . . . . 0.0 112.933 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.0 -46.85 81.98 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.707 1.14 . . . . 0.0 111.962 170.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.9 ttp -58.59 -40.42 83.18 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.307 1.443 . . . . 0.0 112.607 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.33 -66.14 0.58 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.492 1.042 . . . . 0.0 111.601 172.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.5 p -71.47 46.29 0.11 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 129.459 3.103 . . . . 0.0 114.38 -169.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -31.51 96.06 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.78 1.632 . . . . 0.0 112.184 -134.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -133.16 142.55 48.7 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.453 2.301 . . . . 0.0 109.801 -162.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -78.82 150.36 32.32 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.974 -0.454 . . . . 0.0 110.892 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -105.97 148.97 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 125.388 1.475 . . . . 0.0 110.429 172.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 3' ' ' PRO . 52.9 t80 -139.04 110.8 7.15 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.059 1.344 . . . . 0.0 111.386 166.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -79.81 130.5 35.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.309 0.644 . . . . 0.0 111.275 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -142.18 39.15 1.6 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.414 1.086 . . . . 0.0 110.472 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -63.25 -21.61 66.35 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -165.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.81 3.75 78.01 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.7 1.143 . . . . 0.0 114.75 170.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -107.39 20.57 32.33 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 127.109 2.29 . . . . 0.0 114.098 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -10.73 11.77 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.673 2.389 . . . . 0.0 114.463 -173.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -115.87 -30.45 6.08 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.131 1.773 . . . . 0.0 111.401 168.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -76.75 -44.35 33.43 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 129.198 2.999 . . . . 0.0 111.601 -163.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 tp -68.13 -17.93 64.49 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.523 0.601 . . . . 0.0 112.354 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.83 -38.52 23.32 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.978 0.799 . . . . 0.0 112.662 165.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 m -48.65 -44.29 37.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.826 1.651 . . . . 0.0 111.64 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.68 -67.67 0.51 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.143 0.977 . . . . 0.0 111.556 168.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 m -79.58 -20.61 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -154.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.21 -14.22 0.03 OUTLIER Glycine 0 N--CA 1.471 0.997 0 N-CA-C 117.946 1.938 . . . . 0.0 117.946 -171.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.1 -47.38 0.16 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 130.069 3.347 . . . . 0.0 114.235 178.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.7 tp -85.35 -66.33 0.91 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.028 2.131 . . . . 0.0 110.722 164.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -73.87 131.26 41.31 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.464 0.706 . . . . 0.0 110.735 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.3 ptm85 -142.99 -8.32 0.8 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.893 2.553 . . . . 0.0 117.893 -157.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.7 t -71.46 92.59 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.444 1.098 . . . . 0.0 108.816 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.95 61.24 4.06 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.392 0.52 . . . . 0.0 113.637 -159.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.85 109.13 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 159.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.0 t -127.85 157.93 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.22 1.408 . . . . 0.0 109.538 -166.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.1 m -146.0 156.48 43.53 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 120.429 -1.419 . . . . 0.0 111.213 156.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.6 mm -117.57 126.93 75.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 126.647 1.979 . . . . 0.0 108.161 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.98 -43.16 5.86 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.442 2.297 . . . . 0.0 111.788 -170.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -139.02 110.67 7.1 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.124 1.37 . . . . 0.0 109.396 171.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.5 56.31 0.25 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.579 0.752 . . . . 0.0 111.852 167.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.56 31.6 0.59 Allowed Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.501 1.524 . . . . 0.0 113.741 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -148.52 -95.91 0.08 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.097 1.759 . . . . 0.0 109.429 -170.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.5 t -109.17 154.49 22.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 123.764 1.745 . . . . 0.0 112.638 168.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.32 18.68 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.957 1 C-N-CA 136.968 6.107 . . . . 0.0 118.707 -176.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 tt -49.37 -51.04 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 121.367 1.894 . . . . 0.0 113.397 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.328 0.0 OUTLIER -63.09 -10.63 15.32 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 176.012 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.9 t -108.9 -15.04 14.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 163.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.0 m -105.44 -35.78 7.38 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.673 1.124 . . . . 0.0 113.311 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.63 77.99 7.42 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.78 1.232 . . . . 0.0 111.581 -166.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.274 0 CA-C-O 116.546 -1.692 . . . . 0.0 111.755 165.758 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.56 158.68 50.5 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.74 2.293 . . . . 0.0 111.799 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.5 p -55.76 -33.43 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -171.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -4.72 16.9 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.857 1.663 . . . . 0.0 115.168 175.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -88.75 65.39 7.67 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 119.414 1.006 . . . . 0.0 113.583 -161.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -48.38 -43.69 34.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.404 1.882 . . . . 0.0 111.871 167.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 pm0 -61.82 -26.5 68.15 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.213 1.805 . . . . 0.0 114.311 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 m -78.57 -71.29 0.44 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.297 0.639 . . . . 0.0 109.727 164.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -56.1 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 118.218 -0.896 . . . . 0.0 112.69 -165.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -62.37 -55.09 31.34 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.716 1.144 . . . . 0.0 110.767 -169.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.06 -57.37 11.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.227 1.811 . . . . 0.0 111.931 172.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.68 -30.44 69.11 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.944 -172.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.82 -43.6 79.23 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.808 0.731 . . . . 0.0 110.693 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.5 93.54 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.987 0.812 . . . . 0.0 112.126 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.72 -38.41 75.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.877 0.871 . . . . 0.0 111.349 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.66 -54.93 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.082 1.353 . . . . 0.0 112.652 167.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.6 mt -55.82 -20.45 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.775 1.63 . . . . 0.0 113.642 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -48.06 -37.47 15.12 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.717 1.607 . . . . 0.0 113.844 167.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 p -149.21 -1.42 0.47 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.31 -165.93 28.23 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.345 1.45 . . . . 0.0 113.447 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.43 117.32 20.36 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.529 -0.983 . . . . 0.0 111.766 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -131.18 175.74 8.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.185 2.194 . . . . 0.0 112.724 -172.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 t -146.99 150.6 35.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.061 1.745 . . . . 0.0 110.511 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -136.76 129.67 30.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.803 1.641 . . . . 0.0 112.544 -171.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.25 150.65 26.95 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.671 1.129 . . . . 0.0 112.557 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.21 -58.38 7.94 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.922 0.889 . . . . 0.0 113.179 -164.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.17 -41.68 75.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.956 0.903 . . . . 0.0 111.946 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -58.1 -56.93 15.63 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.605 1.562 . . . . 0.0 111.408 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.262 9.9 t -60.37 -52.55 64.76 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.416 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -48.8 -50.91 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 121.669 2.032 . . . . 0.0 112.57 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -54.79 -53.06 60.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.562 0.745 . . . . 0.0 111.634 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -58.29 -52.47 65.46 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.697 1.599 . . . . 0.0 112.333 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.63 -34.67 77.51 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.227 1.411 . . . . 0.0 112.015 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -78.06 -29.2 49.12 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.035 0.934 . . . . 0.0 113.208 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -105.59 -14.51 15.26 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.08 168.59 28.23 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 120.436 1.471 . . . . 0.0 114.862 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HZ3' ' CD ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -75.03 83.13 2.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.989 1.315 . . . . 0.0 110.76 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 81.5 p -68.9 161.66 28.27 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 122.106 -0.371 . . . . 0.0 111.355 158.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -136.02 -22.54 1.38 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 169.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -143.27 125.72 15.74 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.798 0.726 . . . . 0.0 110.365 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.8 pt -107.22 140.78 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.953 0.901 . . . . 0.0 111.302 166.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.4 mm -110.26 135.34 49.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 124.353 1.061 . . . . 0.0 108.474 169.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.3 mt -119.76 83.29 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 171.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.89 50.03 1.09 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.735 1.614 . . . . 0.0 110.397 168.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.3 144.58 40.51 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 125.894 1.678 . . . . 0.0 107.437 172.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -76.86 85.23 3.43 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.969 0.89 . . . . 0.0 109.93 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.7 m -105.85 113.65 63.6 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.395 1.478 . . . . 0.0 111.154 -152.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.28 161.35 46.33 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.793 2.328 . . . . 0.0 112.763 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.12 -58.74 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.349 1.86 . . . . 0.0 113.493 -165.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.97 -35.78 77.68 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.619 0.645 . . . . 0.0 112.426 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -50.23 27.35 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.048 1.339 . . . . 0.0 110.461 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -58.26 -48.83 79.19 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.9 m -76.19 -17.07 59.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 118.158 -0.925 . . . . 0.0 113.261 -171.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -66.44 -47.29 73.64 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.012 1.278 . . . . 0.0 111.196 161.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.59 -42.73 97.31 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.311 0.959 . . . . 0.0 112.575 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -57.42 -41.66 80.81 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.471 2.308 . . . . 0.0 110.81 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -62.59 -48.92 77.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.986 1.315 . . . . 0.0 112.011 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -62.79 -41.93 99.48 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.08 0.855 . . . . 0.0 112.014 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.06 -44.71 79.15 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.501 0.72 . . . . 0.0 112.353 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -60.1 -41.88 93.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.816 1.247 . . . . 0.0 112.446 172.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.5 -75.06 0.09 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.293 1.037 . . . . 0.0 112.016 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 p -80.07 79.79 6.57 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.897 1.279 . . . . 0.0 109.531 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -36.87 95.7 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.675 2.79 . . . . 0.0 114.269 -155.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.1 m -136.1 142.98 44.35 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.871 2.068 . . . . 0.0 110.494 -166.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -79.84 143.44 34.36 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.922 -0.486 . . . . 0.0 110.878 172.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.7 t -102.45 132.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 125.824 1.65 . . . . 0.0 109.547 173.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -127.23 107.09 9.7 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.222 1.009 . . . . 0.0 111.596 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -79.67 119.34 22.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.868 1.267 . . . . 0.0 111.208 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -138.09 31.25 2.43 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.211 1.404 . . . . 0.0 110.888 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -73.1 42.31 0.11 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -171.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -48.48 139.38 11.92 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -49.88 -27.34 9.66 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 123.972 0.796 . . . . 0.0 114.568 175.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.2 -8.07 52.04 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.579 1.951 . . . . 0.0 113.044 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . 0.323 0.1 OUTLIER 29.91 67.24 0.11 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 128.13 2.572 . . . . 0.0 114.403 -158.085 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -49.45 -24.5 2.04 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.456 2.703 . . . . 0.0 114.304 -173.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 21.0 tp -55.76 -19.08 9.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.142 2.177 . . . . 0.0 113.735 170.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.27 -30.83 49.13 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.995 -1.065 . . . . 0.0 112.676 168.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 m -51.2 -41.02 59.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.608 1.563 . . . . 0.0 111.063 171.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.33 -68.9 0.51 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.277 1.031 . . . . 0.0 111.677 166.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 m -110.47 -18.64 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -152.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.32 -2.9 0.48 Allowed Glycine 0 N--CA 1.476 1.309 0 N-CA-C 117.731 1.852 . . . . 0.0 117.731 -160.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm 53.91 -64.19 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 130.849 3.66 . . . . 0.0 116.094 169.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt -125.78 1.06 7.43 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.771 2.028 . . . . 0.0 113.25 -177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.39 171.76 1.79 Allowed 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.14 0.882 . . . . 0.0 112.908 171.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.2 6.36 4.93 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.9 t -123.68 72.73 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.405 1.082 . . . . 0.0 109.835 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.64 53.77 3.65 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.467 1.032 . . . . 0.0 113.961 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.4 p -93.04 116.4 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.504 0.668 . . . . 0.0 109.511 172.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.413 ' C ' ' HG ' ' A' ' 91' ' ' SER . 30.4 t -134.47 157.07 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 125.5 1.52 . . . . 0.0 108.885 -166.178 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.413 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 5.9 m -147.49 155.12 41.58 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 120.315 -1.491 . . . . 0.0 111.402 162.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.0 mm -120.57 129.13 75.93 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 C-N-CA 126.621 1.968 . . . . 0.0 108.836 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.77 -63.87 1.11 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.48 1.912 . . . . 0.0 109.532 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.422 ' CD ' ' HZ3' ' A' ' 38' ' ' LYS . 17.0 mm-40 -117.34 103.31 10.02 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 124.395 1.078 . . . . 0.0 109.541 -177.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.21 56.08 0.46 Allowed 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.615 -0.678 . . . . 0.0 111.219 166.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.06 38.14 0.79 Allowed Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.815 1.674 . . . . 0.0 113.644 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -145.94 -93.65 0.09 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.138 1.775 . . . . 0.0 109.264 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -109.94 177.11 4.82 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 123.243 1.497 . . . . 0.0 113.107 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -53.81 -6.03 0.08 Allowed 'General case' 0 CA--C 1.543 0.708 1 C-N-CA 134.012 4.925 . . . . 0.0 121.36 -168.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . 0.252 13.1 tt -48.21 -59.47 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 123.401 2.819 . . . . 0.0 114.982 -154.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.298 0.1 OUTLIER -64.26 -2.26 2.06 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 116.758 2.133 . . . . 0.0 116.758 178.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.4 p -90.7 -29.65 17.57 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.194 1.398 . . . . 0.0 112.853 167.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 9.6 t -108.13 -47.12 3.61 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.217 1.407 . . . . 0.0 112.575 -176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -94.6 67.03 3.3 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 127.735 2.414 . . . . 0.0 105.467 168.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.943 1.697 . . . . 0.0 114.127 -161.353 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 117.159 -1.4 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -58.26 3.81 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.661 1 C-N-CA 125.468 4.112 . . . . 0.0 119.546 -172.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.35 -29.58 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.027 0.931 . . . . 0.0 110.985 160.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -78.86 85.86 4.8 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 156.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -93.3 -149.38 0.26 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.43 1.492 . . . . 0.0 112.772 -171.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -54.65 -31.66 57.92 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.568 1.547 . . . . 0.0 113.097 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -35.02 79.66 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.772 0.715 . . . . 0.0 112.205 175.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 m -76.12 -48.22 21.48 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.629 1.172 . . . . 0.0 111.399 -174.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -47.74 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.962 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -54.08 -57.81 9.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.294 0.952 . . . . 0.0 112.198 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -53.66 -58.53 6.87 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.799 1.639 . . . . 0.0 111.848 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.93 -37.48 82.46 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.798 1.239 . . . . 0.0 111.545 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.99 -42.16 81.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.136 -0.935 . . . . 0.0 112.158 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.49 87.96 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.793 1.178 . . . . 0.0 111.942 173.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -53.99 -42.16 68.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.369 1.468 . . . . 0.0 111.934 173.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 t -60.02 -62.71 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.994 1.317 . . . . 0.0 111.303 166.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.84 -32.71 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.765 1.626 . . . . 0.0 113.702 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -28.79 8.2 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.079 1.352 . . . . 0.0 114.431 171.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p -144.92 -6.68 0.67 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.54 -165.56 33.12 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 127.058 2.266 . . . . 0.0 113.979 175.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.95 113.41 13.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.411 1.085 . . . . 0.0 110.072 -176.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -131.34 174.37 10.13 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.619 1.568 . . . . 0.0 113.656 -170.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -145.86 155.13 42.69 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.698 1.999 . . . . 0.0 111.131 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -140.81 127.06 19.71 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.847 1.659 . . . . 0.0 113.396 -167.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.49 151.1 25.39 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.443 1.021 . . . . 0.0 112.758 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -50.52 -58.47 5.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.742 1.217 . . . . 0.0 112.998 -164.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.12 -44.51 79.22 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.746 0.818 . . . . 0.0 112.299 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -60.7 -50.24 74.28 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 126.588 1.955 . . . . 0.0 112.625 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.264 10.0 t -60.84 -62.03 2.15 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 116.668 -1.634 . . . . 0.0 108.856 170.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.9 t -48.21 -46.46 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 121.405 1.911 . . . . 0.0 113.555 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -57.4 9.02 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.346 1.058 . . . . 0.0 111.119 169.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.3 m -64.63 -31.51 72.77 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.178 1.391 . . . . 0.0 113.849 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.6 mt -74.21 -39.18 63.29 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.891 0.877 . . . . 0.0 110.817 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -65.18 -24.01 67.26 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.94 0.896 . . . . 0.0 112.833 171.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -72.5 -1.99 17.95 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 163.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.18 -33.25 0.94 Allowed Glycine 0 CA--C 1.534 1.246 0 C-N-CA 126.675 2.083 . . . . 0.0 116.169 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -83.24 8.25 13.9 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.202 1.801 . . . . 0.0 115.233 -169.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.8 p -62.12 173.38 1.13 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.457 1.503 . . . . 0.0 112.03 165.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.77 -26.31 0.19 Allowed 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -147.16 128.93 15.25 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.72 1.208 . . . . 0.0 110.028 169.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.3 pt -104.49 142.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.551 1.141 . . . . 0.0 111.667 168.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.1 mm -115.6 137.02 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.626 1.17 . . . . 0.0 108.441 167.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.4 mt -119.5 86.14 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.44 12.49 34.85 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.773 1.629 . . . . 0.0 112.066 164.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.82 152.56 24.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.652 1.181 . . . . 0.0 111.161 169.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -73.3 76.35 1.34 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.498 1.519 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -106.6 104.84 52.7 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 125.574 1.55 . . . . 0.0 111.75 -157.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.89 164.23 35.44 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.228 1.952 . . . . 0.0 112.05 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.3 t -50.85 -50.27 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.622 1.569 . . . . 0.0 113.088 -168.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.78 -47.4 84.86 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.804 -0.56 . . . . 0.0 111.036 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -42.51 95.14 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.353 1.461 . . . . 0.0 110.801 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -64.76 -43.53 93.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.917 0.781 . . . . 0.0 109.198 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.0 p -57.28 -35.36 69.7 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.38 0.672 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.37 -44.92 74.16 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.362 0.665 . . . . 0.0 111.605 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -57.75 -44.31 86.02 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 172.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.34 -40.81 98.33 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.492 2.317 . . . . 0.0 110.979 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.99 -47.39 86.69 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.482 1.513 . . . . 0.0 111.748 170.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -64.88 -39.09 92.99 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.042 -1.036 . . . . 0.0 112.659 174.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.11 -36.73 71.0 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.969 0.908 . . . . 0.0 112.854 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 59.1 ttp -73.46 -41.15 63.55 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.448 1.899 . . . . 0.0 113.644 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.49 -60.79 2.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.714 1.206 . . . . 0.0 111.109 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.2 p -58.23 176.59 0.16 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.088 0.955 . . . . 0.0 110.62 162.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -112.24 75.54 0.92 Allowed 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.036 -1.665 . . . . 0.0 108.998 179.455 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.2 m -135.98 129.15 31.65 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 113.935 -1.484 . . . . 0.0 111.472 -156.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -78.53 157.36 28.85 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.368 1.067 . . . . 0.0 110.91 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.99 142.69 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.559 1.143 . . . . 0.0 111.244 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -139.34 156.41 47.04 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.616 1.166 . . . . 0.0 112.641 168.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -130.07 120.1 24.12 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.715 1.606 . . . . 0.0 111.123 -172.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -145.56 39.08 1.15 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.607 0.763 . . . . 0.0 111.948 -167.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -57.04 -28.29 62.4 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.298 -1.501 . . . . 0.0 113.931 -176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.19 1.98 16.26 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-O 118.812 -0.993 . . . . 0.0 115.107 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.07 26.96 11.41 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 126.851 2.167 . . . . 0.0 113.439 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -44.05 -33.5 1.47 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 128.46 2.704 . . . . 0.0 114.775 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -119.38 -18.75 8.47 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.968 2.107 . . . . 0.0 112.384 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -86.29 -45.93 10.79 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 128.073 2.549 . . . . 0.0 109.057 -169.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.9 -32.44 72.07 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.63 -0.668 . . . . 0.0 110.504 164.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.03 -22.81 29.58 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.553 0.597 . . . . 0.0 113.486 164.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.7 m -97.2 -23.02 16.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.904 1.281 . . . . 0.0 111.71 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.2 -48.74 66.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.03 0.932 . . . . 0.0 111.616 165.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 m -72.85 -29.87 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.806 0.443 . . . . 0.0 111.017 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.07 -43.16 1.95 Allowed Glycine 0 CA--C 1.531 1.062 0 C-N-CA 126.355 1.931 . . . . 0.0 115.179 159.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 59.19 0.26 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.443 1.897 . . . . 0.0 114.233 -174.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 mt 69.83 -15.36 0.32 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 129.966 3.306 . . . . 0.0 116.36 173.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.33 151.93 30.74 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.489 1.04 . . . . 0.0 113.118 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.78 172.57 14.9 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 129.028 2.931 . . . . 0.0 108.144 169.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.2 t 59.3 69.43 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-O 123.033 1.396 . . . . 0.0 108.12 -170.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.67 69.78 2.67 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.04 -0.982 . . . . 0.0 114.608 -146.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.1 119.53 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 118.274 1.037 . . . . 0.0 109.548 159.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.406 ' C ' ' HG ' ' A' ' 91' ' ' SER . 26.4 t -127.38 157.07 39.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 126.446 1.899 . . . . 0.0 107.868 -175.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.406 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 12.0 m -146.65 150.14 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 119.947 -1.721 . . . . 0.0 110.373 160.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.5 mm -113.43 131.22 65.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 C-N-CA 126.217 1.807 . . . . 0.0 107.801 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.53 -54.14 3.91 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.621 1.568 . . . . 0.0 109.309 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -134.13 122.03 22.3 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.727 1.211 . . . . 0.0 110.911 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.08 75.01 5.61 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.775 1.23 . . . . 0.0 111.514 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.68 39.29 0.38 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.267 1.413 . . . . 0.0 115.676 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -154.1 -90.07 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.819 1.647 . . . . 0.0 109.541 162.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.3 t -107.09 158.39 17.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.053 1.341 . . . . 0.0 112.242 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.95 34.35 0.19 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.687 1.995 . . . . 0.0 116.274 -152.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.8 tt -52.59 -35.3 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -167.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.411 0.0 OUTLIER -65.02 -16.8 63.85 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 171.482 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . 0.3 8.8 t -106.44 -78.04 0.59 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.545 1.521 . . . . 0.0 111.526 157.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 m -75.57 99.76 4.37 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.5 1.5 . . . . 0.0 109.979 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.2 tp -64.87 -22.81 67.06 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.29 0 C-N-CA 128.407 2.683 . . . . 0.0 114.627 179.562 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 119.283 -0.389 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.48 67.14 4.54 Favored 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 123.76 2.973 . . . . 0.0 111.625 171.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.04 156.77 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.75 1.62 . . . . 0.0 111.525 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.506 ' HG2' HE22 ' A' ' 7' ' ' GLN . 5.7 ttpp -57.65 67.78 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 128.377 2.671 . . . . 0.0 110.616 161.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -95.09 -15.84 23.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -157.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.506 HE22 ' HG2' ' A' ' 5' ' ' LYS . 4.7 pm0 -52.98 -36.85 60.73 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -160.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.74 -42.84 9.91 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 122.049 0.928 . . . . 0.0 111.755 173.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.5 m -59.94 -39.23 84.81 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 129.062 2.945 . . . . 0.0 112.044 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.81 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 C-N-CA 125.679 1.592 . . . . 0.0 110.694 175.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -62.53 -55.16 30.03 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.773 0.715 . . . . 0.0 110.777 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -62.22 -46.57 88.28 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.216 0.606 . . . . 0.0 111.96 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -68.59 -37.17 79.6 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.446 0.566 . . . . 0.0 112.457 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.91 -36.64 82.73 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.233 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.14 -44.31 96.9 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.645 1.111 . . . . 0.0 112.206 169.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.3 -46.76 76.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.186 0.994 . . . . 0.0 110.44 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.3 -60.87 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.301 1.041 . . . . 0.0 111.771 168.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.41 HG21 ' CE1' ' A' ' 23' ' ' TYR . 4.1 mt -55.02 -24.33 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.716 1.606 . . . . 0.0 113.849 -176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -49.95 -34.73 21.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.07 1.348 . . . . 0.0 113.737 171.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.8 p -149.29 -5.03 0.39 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.577 2.065 . . . . 0.0 116.577 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.31 178.08 53.06 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.846 1.212 . . . . 0.0 113.08 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.42 109.6 21.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.611 1.564 . . . . 0.0 110.446 -173.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.41 ' CE1' HG21 ' A' ' 18' ' ' ILE . 41.5 p90 -123.75 168.36 12.81 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.098 1.759 . . . . 0.0 112.913 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -141.94 152.16 43.24 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.332 1.853 . . . . 0.0 110.733 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -137.14 118.93 15.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.853 1.261 . . . . 0.0 113.326 -162.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.53 160.85 36.91 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.647 1.118 . . . . 0.0 113.676 174.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -54.98 -62.39 1.69 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.45 1.1 . . . . 0.0 113.738 -163.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -54.31 -46.36 72.79 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.932 0.893 . . . . 0.0 111.928 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -55.08 -55.07 35.13 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.166 1.786 . . . . 0.0 111.815 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -65.61 -46.91 77.5 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 116.183 -1.865 . . . . 0.0 109.858 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -52.37 -51.08 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 122.88 2.582 . . . . 0.0 111.417 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -50.06 -48.48 52.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.85 1.26 . . . . 0.0 112.301 170.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -71.26 -46.01 61.91 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.308 1.443 . . . . 0.0 113.029 -175.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.42 -17.44 64.78 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.612 1.965 . . . . 0.0 112.069 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -52.1 5.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.517 1.527 . . . . 0.0 113.042 164.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -100.25 0.05 39.55 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -165.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.28 165.97 27.3 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 120.292 1.405 . . . . 0.0 114.288 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 70.71 4.43 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.237 1.415 . . . . 0.0 111.377 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.0 p -64.42 150.6 46.11 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.516 -0.74 . . . . 0.0 112.173 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -138.42 -22.44 1.01 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -144.77 130.08 18.72 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.21 1.404 . . . . 0.0 110.199 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.4 pt -109.71 124.38 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.069 1.348 . . . . 0.0 110.968 165.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.4 mm -89.84 123.71 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 124.588 1.155 . . . . 0.0 107.922 162.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mt -109.92 108.75 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 166.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.0 51.2 1.68 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.276 2.231 . . . . 0.0 110.735 -176.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 48' ' ' THR . . . -142.07 169.38 17.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.477 1.511 . . . . 0.0 110.598 -177.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.59 22.1 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 126.504 1.922 . . . . 0.0 113.657 176.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.418 ' H ' ' C ' ' A' ' 46' ' ' ALA . 19.6 m -52.97 109.8 1.65 Allowed Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 129.88 3.272 . . . . 0.0 112.022 -176.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -78.25 173.49 13.79 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.6 2.867 . . . . 0.0 112.794 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -50.61 -48.41 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.354 1.862 . . . . 0.0 114.214 -167.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.92 -45.97 76.25 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.479 1.036 . . . . 0.0 111.09 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -46.14 87.71 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.373 1.869 . . . . 0.0 110.44 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -46.75 86.73 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.255 0.622 . . . . 0.0 110.132 174.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.2 m -59.47 -35.64 74.46 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.178 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -65.66 -47.46 75.45 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.526 1.057 . . . . 0.0 112.368 172.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.77 -41.88 96.4 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.088 -1.007 . . . . 0.0 112.687 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.98 -39.33 89.23 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.96 2.104 . . . . 0.0 111.694 172.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -60.2 -48.71 80.59 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.761 1.225 . . . . 0.0 111.347 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -64.36 -37.72 88.51 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.048 -1.032 . . . . 0.0 112.718 174.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.406 ' HA ' ' HB ' ' A' ' 65' ' ' THR . . . -58.47 -37.04 74.66 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 170.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.9 ttp -77.94 -35.32 50.54 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.892 2.077 . . . . 0.0 113.891 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.5 -56.46 8.3 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.837 1.255 . . . . 0.0 110.802 173.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -60.55 -177.68 0.08 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.044 0.538 . . . . 0.0 110.18 157.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.94 66.18 0.72 Allowed 'General case' 0 N--CA 1.476 0.835 0 O-C-N 119.438 -2.039 . . . . 0.0 109.326 -178.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.406 ' HB ' ' HA ' ' A' ' 60' ' ' ALA . 87.8 m -125.47 130.49 51.92 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.775 1.23 . . . . 0.0 110.388 -156.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.99 149.34 32.27 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.745 -0.597 . . . . 0.0 110.321 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.01 131.94 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.921 1.288 . . . . 0.0 110.63 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -129.92 103.14 6.62 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.671 1.188 . . . . 0.0 111.274 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -79.97 76.49 6.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.734 1.214 . . . . 0.0 112.887 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.43 16.26 1.08 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.745 1.618 . . . . 0.0 111.261 170.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -57.21 -27.69 62.21 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.419 1.488 . . . . 0.0 111.376 154.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.37 124.72 7.76 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 123.637 0.637 . . . . 0.0 112.261 169.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.67 -57.2 4.21 Favored Glycine 0 N--CA 1.472 1.082 0 C-N-CA 124.738 1.161 . . . . 0.0 112.555 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.445 ' CG ' ' H ' ' A' ' 75' ' ' ASN . 6.1 t-20 61.07 -158.14 0.33 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 160.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.445 ' H ' ' CG ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 61.53 -40.36 0.13 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 129.367 3.067 . . . . 0.0 116.187 -171.545 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -83.69 -10.16 58.36 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -154.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 tp -65.71 -24.06 66.9 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 -173.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.66 -42.51 45.0 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 124.11 0.862 . . . . 0.0 113.664 164.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 m -69.04 -16.12 63.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.153 1.381 . . . . 0.0 111.509 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.42 -52.07 5.1 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.484 1.114 . . . . 0.0 112.942 171.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.5 m -73.71 -18.39 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.87 23.97 73.36 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.632 1.587 . . . . 0.0 114.17 174.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -139.4 157.61 45.57 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.424 1.112 . . . . 0.0 112.672 -165.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.45 -39.91 61.64 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.714 2.406 . . . . 0.0 114.761 -166.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -51.59 -34.22 36.16 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.544 1.537 . . . . 0.0 114.339 -171.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . 0.25 37.2 ttt85 55.4 -33.85 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 130.526 3.531 . . . . 0.0 117.793 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.1 m -123.3 162.67 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 127.35 2.26 . . . . 0.0 109.59 172.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.49 -171.63 28.84 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-O 121.645 0.58 . . . . 0.0 114.011 -175.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p -100.97 135.76 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 124.666 1.186 . . . . 0.0 109.466 165.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.4 t -134.03 109.52 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 126.41 1.884 . . . . 0.0 107.401 -174.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 m -113.19 141.51 46.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.0 mm -116.76 131.51 69.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 C-N-CA 125.258 1.423 . . . . 0.0 108.609 -174.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.44 -60.53 1.55 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.288 1.835 . . . . 0.0 109.88 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.85 108.39 12.94 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.168 1.387 . . . . 0.0 109.114 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.02 -15.0 62.95 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.24 74.42 0.01 OUTLIER Glycine 0 CA--C 1.532 1.099 0 C-N-CA 127.478 2.466 . . . . 0.0 117.8 -148.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -153.39 -56.63 0.12 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.394 2.677 . . . . 0.0 107.033 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -106.68 -164.97 1.04 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.04 0.936 . . . . 0.0 110.108 144.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -105.17 -3.01 23.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -168.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.4 tt -39.09 -39.07 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -137.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -9.04 0.24 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 168.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 p -93.09 -57.94 2.47 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 120.643 1.565 . . . . 0.0 111.689 164.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.2 p -72.74 -27.99 62.37 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.129 1.371 . . . . 0.0 113.966 -171.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.23 -6.85 27.35 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.894 1.678 . . . . 0.0 113.139 -176.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.992 0 C-N-CA 125.423 1.489 . . . . 0.0 113.283 177.265 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.31 73.15 2.16 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 124.14 3.227 . . . . 0.0 112.025 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -52.99 117.88 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.712 1.605 . . . . 0.0 112.471 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.92 5.96 46.52 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.369 1.468 . . . . 0.0 114.935 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -63.38 95.37 0.09 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 159.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -52.83 -41.51 64.28 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.099 1.359 . . . . 0.0 111.472 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -49.2 -66.38 0.41 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.034 1.334 . . . . 0.0 110.099 168.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -65.94 -38.76 89.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 118.599 -0.715 . . . . 0.0 112.299 -163.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -49.69 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 119.042 0.837 . . . . 0.0 110.62 171.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -57.66 -54.03 51.43 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.936 1.294 . . . . 0.0 111.569 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -52.4 63.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.535 1.934 . . . . 0.0 112.088 174.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 54.4 tttp -64.74 -32.02 73.51 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 118.784 0.72 . . . . 0.0 112.135 176.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.81 -32.22 73.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.41 -1.432 . . . . 0.0 112.656 173.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.1 -38.9 93.0 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.532 1.06 . . . . 0.0 112.575 164.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.19 -28.28 67.83 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.587 0.755 . . . . 0.0 112.081 171.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.39 -65.01 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 119.495 1.043 . . . . 0.0 109.217 163.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 mt -57.33 -19.92 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 125.73 1.612 . . . . 0.0 113.993 -168.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -53.58 -31.63 47.54 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.618 1.099 . . . . 0.0 113.851 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 p -155.92 -5.59 0.12 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -171.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.48 156.82 18.36 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 125.563 1.554 . . . . 0.0 113.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -85.7 112.7 21.28 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.503 0.721 . . . . 0.0 110.988 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -113.08 169.23 9.08 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.583 1.553 . . . . 0.0 112.812 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -141.95 153.46 44.36 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.211 1.804 . . . . 0.0 110.921 172.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.5 mt -134.85 127.21 30.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.629 1.571 . . . . 0.0 113.75 -167.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.45 149.73 10.69 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.272 1.415 . . . . 0.0 112.93 173.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -45.25 -55.93 5.36 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.18 1.792 . . . . 0.0 112.973 -164.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -39.94 -59.92 1.12 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.45 1.9 . . . . 0.0 113.043 171.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -70.16 -43.87 69.97 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 127.856 2.463 . . . . 0.0 112.149 -166.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.256 8.8 t -60.79 -64.74 0.85 Allowed 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 116.216 -1.85 . . . . 0.0 108.64 166.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.0 t -49.26 -45.58 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 121.823 2.102 . . . . 0.0 113.464 -174.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -43.78 -66.07 0.43 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.385 1.474 . . . . 0.0 111.147 164.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 m -62.69 -31.57 72.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.487 1.515 . . . . 0.0 113.873 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.6 -45.86 57.06 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.659 1.184 . . . . 0.0 111.081 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 mtt-85 -62.83 -31.5 72.51 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.241 1.017 . . . . 0.0 112.145 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -72.61 -4.24 29.68 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.565 1.146 . . . . 0.0 114.034 167.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.65 2.56 51.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.324 1.44 . . . . 0.0 115.306 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.28 0.05 57.41 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.628 1.214 . . . . 0.0 113.626 -167.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -69.46 161.4 29.53 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.162 0.985 . . . . 0.0 112.968 166.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -130.95 -16.95 3.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.079 0.951 . . . . 0.0 113.01 158.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.04 138.56 26.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.071 1.348 . . . . 0.0 109.594 176.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 23.0 pt -116.64 142.7 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.746 1.218 . . . . 0.0 111.336 165.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.4 mm -117.28 110.76 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 126.248 1.819 . . . . 0.0 109.079 177.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 mt -99.98 97.46 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.24 17.09 17.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.965 2.106 . . . . 0.0 111.497 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.62 148.61 30.2 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.852 -1.155 . . . . 0.0 108.481 160.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -77.42 87.59 3.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 171.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.7 m -105.07 122.33 43.49 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 126.129 1.772 . . . . 0.0 112.512 -150.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.7 156.83 53.01 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.533 2.155 . . . . 0.0 112.331 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.7 t -50.56 -54.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.827 1.651 . . . . 0.0 113.178 -167.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 99.0 mt -63.37 -22.22 66.75 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -40.69 12.02 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.376 -0.828 . . . . 0.0 110.505 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -58.41 -49.13 78.39 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 169.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.2 m -77.93 -19.75 54.06 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.502 -1.237 . . . . 0.0 113.462 -170.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -67.08 -41.24 86.67 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 120.993 1.724 . . . . 0.0 112.644 160.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.81 -44.0 97.46 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.07 1.304 . . . . 0.0 113.597 172.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -56.15 -44.43 79.25 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.747 2.419 . . . . 0.0 110.269 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -59.99 -46.58 88.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.194 1.398 . . . . 0.0 112.148 171.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.13 -39.23 92.75 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.067 1.303 . . . . 0.0 113.092 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.78 -33.52 68.63 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 170.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.7 ttp -80.29 -36.26 34.67 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.62 1.968 . . . . 0.0 113.92 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.06 -55.35 14.72 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.254 1.422 . . . . 0.0 110.914 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.3 p -61.4 -175.91 0.06 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.239 0.615 . . . . 0.0 110.245 157.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -122.2 89.64 3.15 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.148 -1.595 . . . . 0.0 108.249 172.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.1 m -143.24 138.52 29.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.132 1.373 . . . . 0.0 110.846 -157.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -78.33 124.0 27.61 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.537 1.135 . . . . 0.0 110.47 174.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.4 t -85.72 127.11 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.156 0.582 . . . . 0.0 110.135 167.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -122.23 120.24 33.56 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.071 0.948 . . . . 0.0 111.952 167.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.14 97.68 9.49 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.551 1.14 . . . . 0.0 110.856 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -79.95 -15.61 56.95 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.523 1.129 . . . . 0.0 112.498 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -51.95 91.44 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.287 2.235 . . . . 0.0 113.688 -160.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.14 5.43 75.32 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.717 2.103 . . . . 0.0 114.378 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.97 -57.91 3.12 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-N 118.924 1.362 . . . . 0.0 111.888 -170.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -67.79 -39.77 83.99 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 128.126 2.57 . . . . 0.0 113.601 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 51.46 57.08 6.97 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.518 2.327 . . . . 0.0 115.277 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 5.0 pm0 -49.73 0.6 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 130.758 3.623 . . . . 0.0 117.559 171.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.5 -18.34 58.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.458 2.303 . . . . 0.0 114.286 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.74 -32.79 8.6 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.987 0.803 . . . . 0.0 112.774 165.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 m -56.62 -48.31 77.75 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.67 1.588 . . . . 0.0 111.987 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.13 84.76 Favored 'General case' 0 C--N 1.341 0.22 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.3 m -88.92 -20.88 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -170.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.58 -37.44 1.02 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 126.078 1.799 . . . . 0.0 113.496 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.1 90.82 1.21 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.348 1.459 . . . . 0.0 108.132 166.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.9 mt -63.19 34.0 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 128.007 2.523 . . . . 0.0 116.95 -167.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -22.16 60.46 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 120.346 -1.471 . . . . 0.0 114.69 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 63.94 -79.79 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.875 2.47 . . . . 0.0 112.761 163.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.6 t -79.35 83.06 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 125.339 1.456 . . . . 0.0 108.261 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.58 169.76 39.45 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 -167.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.6 p -101.5 134.71 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.48 1.112 . . . . 0.0 111.23 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.41 ' C ' ' HG ' ' A' ' 91' ' ' SER . 25.7 t -114.0 159.26 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.647 1.579 . . . . 0.0 107.398 170.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.41 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 16.9 m -148.89 150.46 33.0 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 119.522 -1.986 . . . . 0.0 109.901 165.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.6 mm -111.93 130.11 66.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 125.196 1.398 . . . . 0.0 109.199 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.16 -45.95 6.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.613 1.965 . . . . 0.0 111.161 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -143.67 116.11 8.57 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.488 1.915 . . . . 0.0 109.324 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.96 76.39 0.64 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.574 1.15 . . . . 0.0 112.648 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.26 58.66 0.42 Allowed Glycine 0 CA--C 1.533 1.17 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 156.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.577 ' CG ' ' H ' ' A' ' 98' ' ' SER . 31.8 t70 -111.84 -120.12 0.29 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.294 2.638 . . . . 0.0 108.599 -169.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.577 ' H ' ' CG ' ' A' ' 97' ' ' ASP . 2.0 t -108.37 -80.77 0.57 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 130.473 3.509 . . . . 0.0 105.218 139.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.47 -14.77 12.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 130.125 3.37 . . . . 0.0 118.832 -169.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.424 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 11.4 tt -38.63 -59.38 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -139.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.352 0.0 OUTLIER -78.38 0.84 24.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -171.4 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.7 p -80.17 -34.36 37.62 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.655 1.182 . . . . 0.0 112.281 159.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.3 p -105.21 -28.95 10.65 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.434 1.494 . . . . 0.0 113.506 -169.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -10.17 59.41 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.87 1.668 . . . . 0.0 113.027 173.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.477 1.511 . . . . 0.0 114.056 -169.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -45.4 118.81 2.28 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.957 3.105 . . . . 0.0 112.157 172.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.6 t -48.96 -55.11 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.586 1.554 . . . . 0.0 113.058 -156.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 5.47 0.73 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -90.12 -23.81 21.27 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.594 1.088 . . . . 0.0 112.999 161.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -77.14 -26.32 52.98 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -160.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.08 -39.52 25.56 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.127 1.331 . . . . 0.0 111.558 170.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m -65.95 -48.78 70.19 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 126.133 1.773 . . . . 0.0 111.514 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -49.15 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.122 0.969 . . . . 0.0 108.965 173.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -64.68 -50.74 65.83 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.865 1.266 . . . . 0.0 111.86 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -57.27 -52.62 64.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.944 0.898 . . . . 0.0 111.295 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 50.8 tttp -65.6 -33.73 76.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.018 0.927 . . . . 0.0 112.229 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.68 -43.95 71.48 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.825 1.25 . . . . 0.0 111.373 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.74 98.31 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.661 1.118 . . . . 0.0 111.592 172.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tt -53.71 -42.98 68.62 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.257 1.023 . . . . 0.0 111.518 171.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 t -63.63 -53.3 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.223 1.409 . . . . 0.0 112.809 171.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.0 mt -54.9 -19.85 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.648 1.979 . . . . 0.0 113.613 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -48.02 -37.62 15.26 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.816 1.646 . . . . 0.0 113.771 165.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.6 p -150.8 -12.06 0.23 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.43 160.45 45.71 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 119.861 1.209 . . . . 0.0 112.765 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -82.6 110.43 17.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.602 1.161 . . . . 0.0 111.987 -175.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -119.5 175.81 5.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.546 1.539 . . . . 0.0 113.179 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -148.2 147.39 29.36 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.45 1.9 . . . . 0.0 110.487 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.0 mt -132.42 126.42 33.07 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.046 1.339 . . . . 0.0 113.684 -166.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.51 149.46 16.49 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.898 1.237 . . . . 0.0 113.038 175.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -48.87 -55.68 10.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.447 1.499 . . . . 0.0 112.726 -164.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -39.74 -58.58 1.31 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.659 1.983 . . . . 0.0 112.352 170.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -65.96 -53.42 39.3 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.449 1.9 . . . . 0.0 110.775 -170.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -56.44 -58.68 6.97 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 116.84 -1.552 . . . . 0.0 109.528 173.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -49.9 -48.41 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 121.861 2.119 . . . . 0.0 113.097 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -55.16 -51.7 65.65 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.91 0.777 . . . . 0.0 111.916 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 m -60.56 -42.39 96.48 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.854 1.662 . . . . 0.0 113.032 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -71.19 -39.49 71.77 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.613 1.165 . . . . 0.0 111.507 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -73.64 -37.49 65.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 118.368 -0.825 . . . . 0.0 112.409 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -106.12 -13.45 15.44 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -174.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.35 175.08 20.07 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 120.473 1.488 . . . . 0.0 115.52 -168.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.93 53.34 1.38 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.378 1.871 . . . . 0.0 113.23 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.3 p -56.18 131.16 47.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.738 1.215 . . . . 0.0 113.251 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -113.86 -34.27 5.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -144.58 135.08 24.56 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.238 1.415 . . . . 0.0 109.652 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.0 pt -113.7 131.26 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.705 0.802 . . . . 0.0 111.266 170.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.2 mm -96.21 127.24 48.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 125.75 1.62 . . . . 0.0 107.746 170.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.448 ' CG2' ' HG1' ' A' ' 48' ' ' THR . 35.2 mt -123.82 90.02 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 170.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.46 61.99 0.64 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.725 1.61 . . . . 0.0 110.881 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.22 165.38 27.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.248 1.019 . . . . 0.0 110.984 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.2 53.84 0.84 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.618 1.167 . . . . 0.0 110.747 170.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.448 ' HG1' ' CG2' ' A' ' 44' ' ' ILE . 2.9 m -70.12 117.98 59.45 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 126.255 1.822 . . . . 0.0 113.474 -162.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.77 149.19 51.64 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.242 2.628 . . . . 0.0 113.122 171.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.6 t -53.63 -51.0 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.065 1.346 . . . . 0.0 112.747 -172.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.96 -21.19 66.8 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -43.84 10.22 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.229 -0.92 . . . . 0.0 110.041 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -50.45 73.35 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 118.699 -0.667 . . . . 0.0 109.444 170.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 m -72.66 -21.44 61.08 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -65.99 -42.29 89.96 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 121.562 1.983 . . . . 0.0 112.318 163.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mt -63.11 -41.78 99.43 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.795 -1.19 . . . . 0.0 113.255 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -56.79 -43.08 80.55 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 127.029 2.132 . . . . 0.0 111.281 171.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -57.97 -51.09 71.08 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.446 1.099 . . . . 0.0 111.39 170.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -63.45 -35.02 79.06 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.365 -0.834 . . . . 0.0 113.157 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.31 99.11 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.496 1.043 . . . . 0.0 113.21 167.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -60.23 -22.72 63.37 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.365 1.866 . . . . 0.0 113.202 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.1 mt -63.39 82.63 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 122.568 1.175 . . . . 0.0 109.404 158.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.8 p -61.23 23.82 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 130.81 3.644 . . . . 0.0 119.608 -136.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -65.47 -19.73 66.06 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.823 1.649 . . . . 0.0 112.627 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.8 m -133.69 160.16 38.38 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.194 -0.941 . . . . 0.0 112.897 -146.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.62 163.7 22.86 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.629 1.172 . . . . 0.0 111.49 169.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.5 t -117.55 137.87 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.817 1.647 . . . . 0.0 111.022 -172.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -132.35 100.76 5.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.906 1.282 . . . . 0.0 111.022 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -79.13 116.14 19.23 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.494 1.518 . . . . 0.0 110.831 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -129.07 68.81 1.4 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.875 1.27 . . . . 0.0 111.277 -164.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -58.09 -28.35 64.51 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -173.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.73 -18.53 72.3 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 119.869 1.213 . . . . 0.0 114.158 173.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.95 -2.67 87.12 Favored Glycine 0 CA--C 1.535 1.315 0 CA-C-O 117.752 -1.582 . . . . 0.0 114.04 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -52.57 -17.42 1.26 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.805 1.642 . . . . 0.0 113.118 167.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -127.72 -32.26 2.38 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 162.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -91.72 -15.52 28.27 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 -170.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.4 tp -67.23 -24.05 65.78 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 121.019 1.736 . . . . 0.0 110.181 161.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.82 -16.85 53.08 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-O 119.038 -0.868 . . . . 0.0 114.441 164.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -80.12 -18.1 50.76 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.622 1.711 . . . . 0.0 111.438 168.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.13 -45.83 8.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.747 1.219 . . . . 0.0 113.317 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 m -121.3 6.11 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -169.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.66 118.66 4.51 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 125.013 1.292 . . . . 0.0 113.002 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -59.58 -1.09 0.21 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.46 -45.62 56.19 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.506 1.123 . . . . 0.0 110.558 155.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -64.65 139.84 58.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.668 0.747 . . . . 0.0 112.301 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.98 -50.11 0.88 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.896 1.678 . . . . 0.0 110.667 172.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.4 t -69.0 80.66 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 158.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.16 63.26 2.9 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.682 1.134 . . . . 0.0 112.353 -174.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.8 p -97.38 115.99 38.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.748 0.785 . . . . 0.0 110.436 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.416 ' C ' ' HG ' ' A' ' 91' ' ' SER . 85.0 t -137.47 159.79 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 125.58 1.552 . . . . 0.0 107.972 -174.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.416 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 14.8 m -149.79 156.1 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 119.361 -2.087 . . . . 0.0 110.531 171.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.8 mm -123.61 138.35 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.066 1.746 . . . . 0.0 109.011 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.23 -67.4 0.99 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.393 1.477 . . . . 0.0 110.266 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -114.79 92.76 4.05 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.475 1.51 . . . . 0.0 109.06 176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.4 52.62 0.19 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.808 1.243 . . . . 0.0 112.385 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.17 41.21 0.9 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 126.251 1.881 . . . . 0.0 114.115 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -142.51 -83.42 0.18 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.811 1.644 . . . . 0.0 109.353 -173.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 t -108.8 152.33 25.02 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 123.379 1.561 . . . . 0.0 112.06 161.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -52.0 3.86 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.836 1 C-N-CA 136.354 5.862 . . . . 0.0 117.719 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.432 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 16.2 tt -46.84 -43.83 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -158.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.305 0.0 OUTLIER -98.3 4.48 48.72 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -170.578 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.8 p -58.97 -62.11 2.13 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.783 1.233 . . . . 0.0 110.422 169.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.0 t -62.88 -5.32 2.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.54 1.536 . . . . 0.0 114.899 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.2 mt -104.49 -12.78 16.31 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.136 1.375 . . . . 0.0 113.435 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.216 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -147.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.55 -176.06 0.04 OUTLIER 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.056 2.504 . . . . 0.0 112.311 153.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -47.07 -24.07 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -171.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.34 3.03 0.32 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.059 2.144 . . . . 0.0 115.662 165.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.84 58.78 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.976 1 C-N-CA 132.999 4.519 . . . . 0.0 116.923 -178.452 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -65.66 -22.87 66.68 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -43.82 96.14 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.587 -0.696 . . . . 0.0 111.904 170.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m -84.5 -40.26 17.87 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.221 1.808 . . . . 0.0 112.395 -174.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -37.73 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -46.46 75.11 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.734 1.614 . . . . 0.0 112.167 177.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.92 -54.29 37.01 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.813 0.845 . . . . 0.0 109.979 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HZ2' ' CG ' ' A' ' 99' ' ' ASP . 61.6 tttp -59.6 -42.67 93.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.815 0.846 . . . . 0.0 111.475 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.14 -49.9 65.85 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.739 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -37.61 84.65 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 120.607 1.549 . . . . 0.0 112.444 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.69 -44.47 77.4 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 123.862 0.865 . . . . 0.0 111.119 169.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.7 -47.99 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.685 1.194 . . . . 0.0 112.791 174.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.3 mm -50.94 -28.74 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.716 2.006 . . . . 0.0 113.184 -178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -57.96 -24.5 58.25 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 p -140.76 -17.31 0.86 Allowed 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.226 1.935 . . . . 0.0 116.226 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.07 148.3 26.88 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 119.535 1.061 . . . . 0.0 113.747 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -79.0 113.36 17.07 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.221 1.008 . . . . 0.0 111.577 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -119.08 169.21 10.12 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -140.86 147.56 39.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 127.217 2.207 . . . . 0.0 109.725 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.0 mt -136.01 130.53 33.69 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.704 1.202 . . . . 0.0 113.993 -168.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.64 155.57 27.32 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.564 1.078 . . . . 0.0 112.933 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -52.54 -60.62 3.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.649 1.18 . . . . 0.0 113.38 -162.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.66 -43.73 76.56 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.978 0.911 . . . . 0.0 112.543 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.52 -55.95 28.48 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.65 1.58 . . . . 0.0 111.754 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -61.71 -53.51 55.11 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 116.919 -1.515 . . . . 0.0 109.469 175.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.6 t -47.25 -49.62 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 121.83 2.105 . . . . 0.0 112.429 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -54.36 -56.14 21.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.93 0.892 . . . . 0.0 112.026 170.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -58.36 -41.75 85.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.27 1.828 . . . . 0.0 113.527 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.9 mt -73.63 -38.24 65.09 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.478 1.511 . . . . 0.0 111.44 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -68.31 -23.04 64.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.601 0.637 . . . . 0.0 112.446 172.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.9 3.33 8.4 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.823 1.249 . . . . 0.0 113.822 162.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.6 -40.97 2.48 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.778 1.656 . . . . 0.0 116.343 158.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.18 7.68 4.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -168.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.4 p -65.67 159.66 24.45 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.204 1.365 . . . . 0.0 112.187 174.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -134.42 -21.53 1.78 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -142.43 132.61 24.69 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.261 1.024 . . . . 0.0 110.832 173.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.8 pt -113.77 138.56 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.733 1.213 . . . . 0.0 111.228 163.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.8 mm -112.2 119.6 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.017 1.327 . . . . 0.0 108.184 169.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.6 mt -100.87 110.41 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 171.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.12 59.48 0.94 Allowed 'General case' 0 C--N 1.344 0.334 0 C-N-CA 125.796 1.638 . . . . 0.0 111.923 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.7 150.83 37.98 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 126.053 1.741 . . . . 0.0 109.256 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -68.85 77.45 0.31 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.289 1.436 . . . . 0.0 109.323 174.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 84.0 m -97.68 118.13 64.49 Favored Pre-proline 0 N--CA 1.47 0.565 0 C-N-CA 125.119 1.367 . . . . 0.0 111.153 -154.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.83 146.37 36.28 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.114 2.543 . . . . 0.0 113.036 173.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.67 -46.42 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.281 1.032 . . . . 0.0 111.908 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.87 -48.98 76.88 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.1 0.56 . . . . 0.0 111.524 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -49.13 77.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.389 1.876 . . . . 0.0 110.737 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -61.6 -44.51 96.86 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.334 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 p -57.88 -34.99 70.37 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.541 0.736 . . . . 0.0 112.712 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.88 -46.6 71.2 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.307 0.958 . . . . 0.0 111.192 174.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.64 -41.12 94.31 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.512 -0.743 . . . . 0.0 112.854 175.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.89 -39.46 94.55 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.116 2.566 . . . . 0.0 111.502 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -61.82 -47.44 85.07 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.312 1.445 . . . . 0.0 111.708 169.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -65.69 -37.45 86.5 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.051 -1.03 . . . . 0.0 112.85 174.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.97 -36.78 70.74 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 170.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.9 ttp -76.82 -34.74 57.89 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.728 2.011 . . . . 0.0 114.078 175.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.22 -52.64 25.74 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.938 1.295 . . . . 0.0 111.557 173.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.5 p -61.15 -173.07 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.125 0.97 . . . . 0.0 110.437 156.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -120.9 62.83 0.87 Allowed 'General case' 0 N--CA 1.479 1.022 0 O-C-N 119.372 -2.08 . . . . 0.0 110.094 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.4 m -114.42 135.62 53.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.644 -159.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -78.27 128.37 33.62 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.46 130.66 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 167.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -127.13 144.21 51.09 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.789 0.836 . . . . 0.0 110.765 170.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -115.3 108.11 16.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.979 1.312 . . . . 0.0 109.304 -177.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.05 86.68 2.5 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -73.98 78.72 1.68 Allowed 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -150.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.75 172.17 51.24 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 126.797 2.141 . . . . 0.0 111.158 166.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.01 -7.87 60.26 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.904 2.192 . . . . 0.0 114.237 -6.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -41.26 75.65 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.836 2.454 . . . . 0.0 112.428 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -150.82 119.55 6.56 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.316 1.447 . . . . 0.0 107.414 166.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -137.56 175.1 9.9 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -156.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -132.9 14.8 4.31 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.9 -41.2 20.54 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-N 120.488 1.495 . . . . 0.0 110.836 157.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.1 m -47.41 -38.18 12.83 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.711 2.405 . . . . 0.0 114.563 166.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.31 -51.98 13.59 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.632 1.105 . . . . 0.0 111.529 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m -96.25 -25.34 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -159.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.42 -5.95 0.78 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.693 1.139 . . . . 0.0 114.477 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt 73.14 -62.11 0.48 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 129.174 2.989 . . . . 0.0 112.235 163.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.28 -65.58 0.66 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.407 1.883 . . . . 0.0 110.947 -179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.34 164.5 13.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.693 0.797 . . . . 0.0 112.82 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.34 144.75 50.76 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.845 1.658 . . . . 0.0 109.536 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 t 72.88 142.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 127.829 2.452 . . . . 0.0 112.114 171.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 147.14 -174.03 27.08 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 121.238 -0.914 . . . . 0.0 114.819 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 p -101.98 139.15 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.163 1.385 . . . . 0.0 110.559 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.403 ' C ' ' HG ' ' A' ' 91' ' ' SER . 24.1 t -113.2 153.64 14.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 126.943 2.097 . . . . 0.0 107.604 172.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.403 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 4.8 m -144.89 154.05 42.21 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 120.14 -1.6 . . . . 0.0 110.592 159.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 mm -124.43 137.49 57.08 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 125.155 1.382 . . . . 0.0 109.315 -177.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.86 -50.15 2.7 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.015 1.726 . . . . 0.0 112.291 -169.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.42 93.83 2.94 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.961 1.305 . . . . 0.0 110.2 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.09 84.23 1.8 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.033 -0.417 . . . . 0.0 109.941 164.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.24 39.93 0.46 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.429 1.014 . . . . 0.0 112.606 166.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -153.86 -148.42 0.25 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.005 2.122 . . . . 0.0 108.793 -156.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -56.78 147.66 22.52 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 124.301 2.0 . . . . 0.0 111.548 166.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.437 ' CG ' ' HZ2' ' A' ' 13' ' ' LYS . 7.9 p-10 -51.87 4.22 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.651 1 C-N-CA 135.494 5.518 . . . . 0.0 117.574 -178.684 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.5 tt -49.65 -47.79 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 120.549 1.522 . . . . 0.0 113.625 -163.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -9.88 58.96 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.3 t -105.8 -9.34 17.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 117.508 -1.234 . . . . 0.0 113.926 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.5 p -105.34 -24.68 12.64 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.402 1.455 . . . . 0.0 113.831 174.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.4 mt -82.92 -4.62 58.4 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 163.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.324 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 -143.051 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 115.623 -2.132 . . . . 0.0 107.809 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.294 10.6 Cg_exo -37.65 9.69 0.0 OUTLIER 'Trans proline' 0 CA--C 1.547 1.14 2 C-N-CA 130.125 7.217 . . . . 0.0 125.606 -142.635 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.4 t -59.61 142.77 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 120.728 -1.233 . . . . 0.0 108.213 142.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.405 ' HZ1' ' C ' ' A' ' 105' ' ' ALA . 60.7 mmtt -81.26 44.45 0.78 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -156.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 p -62.25 156.0 23.22 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.279 1.032 . . . . 0.0 111.075 164.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -68.57 -28.15 66.7 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.208 -0.932 . . . . 0.0 111.467 169.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -53.35 -50.33 65.27 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.496 1.518 . . . . 0.0 111.833 164.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -55.28 -48.34 74.18 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 117.568 -1.206 . . . . 0.0 113.519 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -43.19 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 120.405 1.457 . . . . 0.0 110.591 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -54.26 -57.05 12.66 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.2 1.0 . . . . 0.0 111.312 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -54.75 -55.74 26.71 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.6 1.96 . . . . 0.0 111.431 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -63.18 -36.47 83.72 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.4 1.48 . . . . 0.0 111.982 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.66 -38.28 83.58 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.718 0.69 . . . . 0.0 111.614 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.65 83.0 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.188 0.904 . . . . 0.0 112.458 169.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.33 -40.29 64.75 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.04 1.336 . . . . 0.0 110.903 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 t -62.59 -63.57 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.909 1.684 . . . . 0.0 111.967 166.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.8 mt -56.46 -17.86 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.944 1.697 . . . . 0.0 114.648 -174.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -47.06 -36.9 8.66 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.262 1.825 . . . . 0.0 113.608 161.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -149.46 -12.24 0.3 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 -168.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.63 167.17 20.89 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.848 1.689 . . . . 0.0 113.352 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -99.79 118.45 36.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.946 1.299 . . . . 0.0 111.503 -169.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -128.84 170.09 13.79 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.326 1.45 . . . . 0.0 114.268 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.6 t -139.83 161.91 36.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.781 2.432 . . . . 0.0 110.11 169.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.28 151.62 40.73 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.182 1.793 . . . . 0.0 112.444 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.63 157.35 26.79 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.152 1.358 . . . . 0.0 112.52 174.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 66.4 t80 -67.0 -77.05 0.07 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.132 1.466 . . . . 0.0 114.461 -165.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -66.92 -19.89 65.81 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.54 -1.35 . . . . 0.0 111.948 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 t -57.28 -59.95 4.35 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 128.439 2.696 . . . . 0.0 113.151 163.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.255 14.7 t -63.54 -40.5 97.18 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-O 117.395 -1.288 . . . . 0.0 110.908 173.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.1 t -48.71 -55.52 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 121.818 2.099 . . . . 0.0 112.179 172.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -55.85 -45.46 78.43 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.84 1.656 . . . . 0.0 111.862 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 m -57.74 -56.74 18.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.212 1.405 . . . . 0.0 111.692 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.19 -35.31 78.46 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 127.105 2.162 . . . . 0.0 112.087 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -64.66 -33.25 75.5 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.137 0.975 . . . . 0.0 113.046 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -105.46 -15.21 15.07 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.99 156.14 26.83 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 120.485 1.493 . . . . 0.0 115.254 -171.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 91.93 1.24 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.373 1.869 . . . . 0.0 111.425 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -71.35 169.36 15.44 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.686 -0.634 . . . . 0.0 111.754 156.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -136.46 -14.23 1.72 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 157.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -141.29 131.97 25.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.281 1.032 . . . . 0.0 110.222 173.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 pt -112.45 146.83 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.857 1.263 . . . . 0.0 111.05 165.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.1 mm -122.59 136.73 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.37 1.068 . . . . 0.0 109.348 170.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.19 96.28 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 124.294 1.038 . . . . 0.0 109.315 169.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -110.31 50.53 0.8 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.141 1.777 . . . . 0.0 109.529 159.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.69 138.75 52.9 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.803 1.641 . . . . 0.0 107.162 162.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -63.51 83.12 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.379 1.472 . . . . 0.0 111.331 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 95.1 m -106.58 108.47 61.92 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 126.531 1.932 . . . . 0.0 111.568 -159.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.49 168.3 22.92 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.746 2.297 . . . . 0.0 113.193 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -52.33 -52.21 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.359 1.463 . . . . 0.0 113.789 -165.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.76 -32.24 73.67 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.882 1.219 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -71.78 -45.92 60.01 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 126.143 1.777 . . . . 0.0 110.712 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -65.53 -42.15 92.3 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.064 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -55.69 -42.76 75.67 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 124.459 1.104 . . . . 0.0 111.545 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.11 -56.62 17.83 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.482 1.037 . . . . 0.0 111.195 169.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.84 -44.54 86.55 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.283 0.947 . . . . 0.0 113.066 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -62.92 -35.75 81.1 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.56 2.344 . . . . 0.0 111.694 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -62.98 -49.0 76.4 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.719 1.208 . . . . 0.0 111.459 169.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -66.0 -35.96 81.99 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.422 -0.799 . . . . 0.0 112.389 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.26 81.02 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.952 0.796 . . . . 0.0 112.352 167.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -57.68 -43.32 85.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.951 1.301 . . . . 0.0 112.56 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -61.05 2.78 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.967 0.803 . . . . 0.0 111.224 173.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.4 p -75.4 42.33 0.21 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.453 2.301 . . . . 0.0 114.186 -173.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -31.87 98.12 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.854 1.261 . . . . 0.0 112.82 -134.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -132.46 146.02 51.62 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 128.162 2.585 . . . . 0.0 110.237 -162.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -78.94 146.92 33.22 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.483 1.513 . . . . 0.0 110.614 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.3 t -117.5 144.85 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.824 1.25 . . . . 0.0 110.372 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -140.34 152.75 46.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.902 0.881 . . . . 0.0 112.277 170.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -126.72 85.75 2.42 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.406 1.482 . . . . 0.0 110.509 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -82.14 59.17 4.3 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 122.963 1.363 . . . . 0.0 108.52 177.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -82.08 52.54 2.01 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.104 1.362 . . . . 0.0 113.513 -160.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.44 -39.71 91.38 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 135.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.49 29.35 55.84 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.804 1.192 . . . . 0.0 113.684 169.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -133.66 -101.3 0.25 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.66 1.23 . . . . 0.0 112.51 -173.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -138.91 8.01 2.51 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.534 1.934 . . . . 0.0 111.566 -166.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -56.01 27.36 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 127.487 2.315 . . . . 0.0 110.559 172.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 tp -74.76 -19.6 60.15 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.822 1.249 . . . . 0.0 112.048 170.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.27 -28.89 4.73 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.355 0.979 . . . . 0.0 112.955 165.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -58.17 -39.12 78.05 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.213 1.805 . . . . 0.0 113.215 171.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.16 -18.74 55.17 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.9 -14.31 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.68 30.14 0.5 Allowed Glycine 0 CA--C 1.537 1.468 0 N-CA-C 117.804 1.882 . . . . 0.0 117.804 161.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? 58.22 -69.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 128.327 2.651 . . . . 0.0 116.101 175.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.457 ' C ' ' H ' ' A' ' 86' ' ' ARG . 3.7 pp -69.67 139.25 53.48 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.084 1.354 . . . . 0.0 112.582 -172.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.5 p90 56.61 -22.5 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 128.684 2.794 . . . . 0.0 117.645 -165.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' H ' ' C ' ' A' ' 84' ' ' LEU . 35.5 mmt-85 -58.87 78.76 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.517 2.327 . . . . 0.0 114.663 -171.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 m -60.11 123.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 143.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -78.87 40.93 2.12 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 121.495 -0.753 . . . . 0.0 114.813 -162.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.42 116.52 31.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 118.313 1.057 . . . . 0.0 109.178 169.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.413 ' C ' ' HG ' ' A' ' 91' ' ' SER . 6.4 t -132.0 155.59 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.791 1.637 . . . . 0.0 109.058 -166.475 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.413 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 14.4 m -147.82 148.87 31.37 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 120.374 -1.454 . . . . 0.0 110.898 163.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.1 mm -125.53 133.27 69.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 126.083 1.753 . . . . 0.0 109.442 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.48 -56.11 2.27 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.05 2.14 . . . . 0.0 111.446 -171.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -131.57 111.71 11.98 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.484 1.514 . . . . 0.0 108.471 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.78 -29.19 19.96 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -173.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.22 -5.61 0.3 Allowed Glycine 0 CA--C 1.539 1.589 0 N-CA-C 120.918 3.127 . . . . 0.0 120.918 -113.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -112.64 84.24 1.95 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.71 1.755 . . . . 0.0 108.645 169.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -105.41 -178.18 3.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 129.545 3.138 . . . . 0.0 114.042 8.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -53.52 23.13 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.078 1 C-N-CA 134.396 5.078 . . . . 0.0 117.866 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 tt -62.53 -21.62 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 121.097 1.771 . . . . 0.0 114.441 -166.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.32 0.0 OUTLIER -89.26 -15.69 32.96 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.015 2.126 . . . . 0.0 115.886 169.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.2 m -86.27 -56.92 3.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.914 1.686 . . . . 0.0 109.463 170.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -87.15 -152.53 0.19 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.205 1.402 . . . . 0.0 108.53 170.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -109.31 0.32 Allowed 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.105 -1.622 . . . . 0.0 108.182 142.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.405 ' C ' ' HZ1' ' A' ' 5' ' ' LYS . . . . . . . . 0 C--O 1.251 1.136 0 C-N-CA 123.666 0.786 . . . . 0.0 110.334 151.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 115.682 -2.104 . . . . 0.0 108.834 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 0.253 44.5 Cg_exo -44.37 7.71 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.024 2 C-N-CA 128.597 6.198 . . . . 0.0 124.472 -161.479 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.7 t -84.98 -72.32 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 152.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -73.58 69.6 1.26 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.294 1.038 . . . . 0.0 108.547 161.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.7 37.61 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 128.63 2.772 . . . . 0.0 114.247 -173.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -55.05 -58.25 8.41 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 129.515 3.126 . . . . 0.0 111.916 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -53.71 41.72 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.642 1.577 . . . . 0.0 112.009 -178.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 p -63.55 -54.9 28.86 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 127.429 2.292 . . . . 0.0 111.91 -176.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -47.49 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 118.931 0.787 . . . . 0.0 111.145 177.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -59.56 -51.62 69.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.086 0.857 . . . . 0.0 111.475 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -57.65 -54.74 43.45 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.401 177.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -63.2 -38.93 93.1 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.008 0.822 . . . . 0.0 112.457 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.7 -40.41 88.47 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.822 -0.609 . . . . 0.0 111.858 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.01 93.03 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.875 1.216 . . . . 0.0 112.504 171.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tt -56.38 -42.8 78.49 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.996 1.319 . . . . 0.0 109.799 173.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 t -59.92 -57.89 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.64 1.176 . . . . 0.0 112.451 168.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.5 mt -52.78 -28.51 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.595 1.158 . . . . 0.0 113.262 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -48.67 -37.11 17.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.265 1.426 . . . . 0.0 114.162 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -149.6 -2.86 0.42 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.18 -166.6 29.18 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.359 1.457 . . . . 0.0 112.344 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.39 122.59 26.58 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.329 -1.101 . . . . 0.0 111.802 -177.74 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -129.94 173.71 10.44 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.532 2.333 . . . . 0.0 112.234 -172.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.4 t -146.1 146.9 31.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.977 1.711 . . . . 0.0 110.337 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -135.71 134.04 38.69 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.148 1.379 . . . . 0.0 113.54 -170.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.5 145.75 11.51 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 123.98 0.8 . . . . 0.0 111.895 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.409 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 32.7 t80 -51.76 -51.9 52.79 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.798 1.239 . . . . 0.0 113.295 -165.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -39.67 -58.92 1.23 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.933 2.093 . . . . 0.0 112.04 168.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -66.08 -52.09 52.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 126.581 1.952 . . . . 0.0 110.835 -170.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.262 6.6 t -56.68 -58.17 9.22 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 116.718 -1.611 . . . . 0.0 109.86 173.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.5 t -47.98 -50.25 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 121.734 2.061 . . . . 0.0 112.893 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -56.17 -47.9 77.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.118 0.967 . . . . 0.0 112.646 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 m -65.53 -41.25 93.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.431 1.492 . . . . 0.0 112.73 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.4 mt -71.64 -38.28 70.75 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.296 1.039 . . . . 0.0 111.317 177.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -61.21 -27.47 68.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.679 0.792 . . . . 0.0 112.757 169.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -78.57 5.45 10.88 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 166.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.95 -19.99 1.99 Allowed Glycine 0 CA--C 1.534 1.281 0 N-CA-C 117.258 1.663 . . . . 0.0 117.258 159.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -88.74 -0.74 57.6 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.497 1.665 . . . . 0.0 115.497 -166.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.1 p -59.43 165.51 2.77 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.229 -0.92 . . . . 0.0 113.001 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -138.59 -18.47 1.09 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 164.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -139.38 129.51 25.19 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.936 0.789 . . . . 0.0 109.799 176.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.9 pt -113.66 141.36 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.25 1.02 . . . . 0.0 111.575 168.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.6 mm -115.95 138.94 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.784 1.234 . . . . 0.0 108.866 172.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.92 91.47 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.23 46.82 0.91 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.675 1.99 . . . . 0.0 110.265 168.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.62 151.53 39.15 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.218 1.807 . . . . 0.0 109.992 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -66.71 75.33 0.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.273 2.229 . . . . 0.0 112.943 -173.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.7 m -107.73 99.93 32.34 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.842 1.657 . . . . 0.0 111.674 -162.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -72.68 171.25 17.65 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.065 2.51 . . . . 0.0 113.195 -175.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.7 t -50.05 -48.97 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.138 1.775 . . . . 0.0 114.164 -166.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.01 -44.26 85.28 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.032 0.833 . . . . 0.0 111.087 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -63.45 -46.88 84.23 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.615 1.966 . . . . 0.0 110.819 -178.124 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -47.53 83.39 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.046 0.538 . . . . 0.0 109.623 175.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.1 m -60.95 -34.38 74.66 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.603 0.761 . . . . 0.0 112.225 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -64.47 -48.69 74.31 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.066 0.848 . . . . 0.0 111.835 172.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.098 0.863 . . . . 0.0 112.497 175.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -59.94 -43.69 94.84 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.393 1.877 . . . . 0.0 111.532 174.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -59.6 -48.29 82.25 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.848 1.259 . . . . 0.0 111.544 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -64.15 -43.12 96.19 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 118.35 -0.833 . . . . 0.0 112.48 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.28 -41.9 72.87 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.485 1.039 . . . . 0.0 112.846 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.0 ttp -61.99 -38.57 89.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.961 1.304 . . . . 0.0 112.317 172.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.91 -61.11 2.36 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.186 0.903 . . . . 0.0 111.288 170.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.8 p -78.49 46.59 0.65 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.167 1.787 . . . . 0.0 113.584 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -32.52 98.7 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.123 1.369 . . . . 0.0 112.978 -137.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.8 m -133.09 144.24 49.85 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 128.352 2.661 . . . . 0.0 110.12 -161.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -79.04 144.76 34.33 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 122.079 -0.388 . . . . 0.0 110.976 176.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.67 135.6 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.637 1.575 . . . . 0.0 110.225 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -132.11 98.67 4.49 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.054 0.941 . . . . 0.0 111.586 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -78.78 74.88 5.3 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.232 1.413 . . . . 0.0 111.414 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -81.34 44.49 0.79 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.369 1.868 . . . . 0.0 111.288 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -61.9 -28.8 69.77 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.83 -1.169 . . . . 0.0 112.319 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.49 49.78 3.09 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.076 -1.015 . . . . 0.0 112.506 163.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -160.02 16.59 0.21 Allowed Glycine 0 CA--C 1.534 1.222 0 C-N-CA 128.382 2.896 . . . . 0.0 112.92 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -25.14 20.29 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 129.433 3.093 . . . . 0.0 115.071 -160.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -128.09 -25.97 2.93 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.343 1.457 . . . . 0.0 111.22 170.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -54.04 -45.35 71.6 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.397 2.679 . . . . 0.0 113.155 -175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.82 -20.7 65.31 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.048 0.84 . . . . 0.0 112.847 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.39 -15.65 32.28 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.118 -0.989 . . . . 0.0 113.935 169.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 m -61.36 -47.35 86.28 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.493 1.117 . . . . 0.0 110.24 167.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.35 -57.63 5.62 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.93 0.892 . . . . 0.0 111.007 168.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.287 17.6 m -96.61 -139.13 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -163.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.07 90.43 1.1 Allowed Glycine 0 CA--C 1.526 0.738 0 C-N-CA 126.402 1.953 . . . . 0.0 113.775 -165.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.409 ' HD2' ' H ' ' A' ' 83' ' ' LYS . 2.0 mptt -45.61 -29.76 1.31 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.379 2.272 . . . . 0.0 114.737 177.567 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.4 tp -55.69 -48.4 75.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.189 0.996 . . . . 0.0 112.118 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -111.99 -36.41 5.39 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.835 1.254 . . . . 0.0 114.243 -170.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 60.29 -25.29 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 129.131 2.972 . . . . 0.0 117.148 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.7 m -56.74 100.9 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.118 1.767 . . . . 0.0 110.304 169.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.19 64.54 3.56 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.864 -159.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -85.24 108.42 17.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 161.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.7 t -130.81 156.52 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.702 1.601 . . . . 0.0 108.895 -168.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -144.97 156.1 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 120.301 -1.5 . . . . 0.0 110.86 158.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.6 mm -122.79 131.76 72.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 125.995 1.718 . . . . 0.0 108.989 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.95 -55.28 2.42 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 127.168 2.187 . . . . 0.0 110.517 -173.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -120.35 102.67 8.63 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.346 1.058 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.0 56.42 1.22 Allowed 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.466 -0.772 . . . . 0.0 112.467 173.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.81 24.42 0.66 Allowed Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.121 1.343 . . . . 0.0 115.853 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -145.63 -77.37 0.2 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.345 1.573 . . . . 0.0 110.999 -172.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 17.9 t -108.2 162.81 13.73 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.031 1.332 . . . . 0.0 111.74 165.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -83.68 18.06 2.06 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 -157.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 tt -44.1 -52.17 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -160.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.2 -15.01 62.81 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.4 t -105.95 -9.48 17.08 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 117.413 -1.279 . . . . 0.0 113.96 167.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -41.87 70.01 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.299 1.409 . . . . 0.0 111.041 163.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -97.62 -4.02 38.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -169.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -145.265 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 118.618 -0.706 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -50.04 129.58 25.32 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.124 2.549 . . . . 0.0 112.818 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.6 p -77.34 -18.55 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -27.65 61.28 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.091 1.756 . . . . 0.0 114.799 -168.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 p -90.84 -52.82 4.67 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.323 1.449 . . . . 0.0 111.828 168.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -58.66 -25.39 62.74 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.134 2.173 . . . . 0.0 114.036 -174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.42 -27.97 27.31 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.028 1.331 . . . . 0.0 113.565 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 p -51.0 -63.03 1.26 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.284 1.834 . . . . 0.0 112.406 171.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.6 -50.89 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.995 167.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.61 -55.23 31.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.905 0.882 . . . . 0.0 112.355 -168.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -66.46 -42.84 86.94 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.387 0.675 . . . . 0.0 111.999 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -64.14 -44.18 92.96 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.641 0.655 . . . . 0.0 111.276 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.92 -36.97 78.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.69 1.196 . . . . 0.0 111.98 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -45.3 87.84 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.522 1.055 . . . . 0.0 112.391 170.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.95 -40.74 73.65 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.374 1.07 . . . . 0.0 110.779 172.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -60.01 -60.31 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.577 0.751 . . . . 0.0 111.836 168.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mt -52.65 -29.04 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.609 1.564 . . . . 0.0 113.775 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -18.31 4.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.067 1.347 . . . . 0.0 114.355 171.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 p -149.77 -15.16 0.27 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 117.276 2.325 . . . . 0.0 117.276 160.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.53 158.6 43.57 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.991 1.281 . . . . 0.0 113.267 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.05 122.01 26.23 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.52 1.128 . . . . 0.0 111.086 -171.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -127.92 172.59 10.75 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.617 1.167 . . . . 0.0 113.756 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -142.81 149.91 39.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.328 1.851 . . . . 0.0 111.021 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.67 126.92 33.71 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.293 1.837 . . . . 0.0 112.493 -170.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.61 151.57 28.42 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.421 1.01 . . . . 0.0 112.591 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 36.6 t80 -55.26 -55.25 33.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.887 0.875 . . . . 0.0 113.253 -163.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.82 -42.91 80.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.694 0.798 . . . . 0.0 111.951 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -61.06 -49.48 77.17 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 126.573 1.949 . . . . 0.0 112.608 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.293 9.0 t -60.61 -63.63 1.23 Allowed 'General case' 0 C--N 1.345 0.371 0 CA-C-O 116.274 -1.822 . . . . 0.0 109.334 169.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.2 t -43.35 -50.57 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 121.602 2.001 . . . . 0.0 113.304 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -56.73 12.45 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.008 1.323 . . . . 0.0 111.378 172.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 m -64.41 -33.58 76.18 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.847 1.259 . . . . 0.0 113.522 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.7 mt -71.1 -41.75 70.19 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.652 0.781 . . . . 0.0 110.669 173.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -62.79 -28.53 70.06 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.262 1.025 . . . . 0.0 113.1 171.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -72.24 -6.05 40.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 165.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.46 -1.57 35.12 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.302 1.43 . . . . 0.0 115.486 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -87.31 -7.6 57.63 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.182 1.393 . . . . 0.0 114.359 -164.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -68.49 163.3 23.72 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.16 0.984 . . . . 0.0 112.926 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -138.93 -12.58 1.25 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.69 1.366 . . . . 0.0 114.69 161.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -140.28 134.87 31.63 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.35 1.46 . . . . 0.0 108.992 171.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.8 pt -116.35 149.55 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.986 0.915 . . . . 0.0 111.762 167.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.9 mm -124.25 136.42 60.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 125.885 1.674 . . . . 0.0 109.85 178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.38 96.92 4.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 123.06 0.544 . . . . 0.0 109.713 168.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.95 50.06 1.06 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.981 2.912 . . . . 0.0 110.722 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 48' ' ' THR . . . -138.06 168.96 18.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.478 1.511 . . . . 0.0 110.832 -177.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -66.62 21.22 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.67 1.988 . . . . 0.0 114.841 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.413 ' H ' ' C ' ' A' ' 46' ' ' ALA . 55.3 m -60.02 114.22 9.25 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 129.441 3.096 . . . . 0.0 112.907 -172.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -59.97 167.71 6.85 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.985 3.79 . . . . 0.0 115.201 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.07 -43.95 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.878 1.271 . . . . 0.0 113.172 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.96 -39.97 83.27 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.958 -1.089 . . . . 0.0 111.034 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.403 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -64.08 -47.96 78.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.66 1.984 . . . . 0.0 111.227 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -42.67 99.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.858 171.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.0 m -58.09 -37.54 74.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.242 0.617 . . . . 0.0 112.174 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -65.25 -46.71 79.43 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.103 0.865 . . . . 0.0 112.062 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.14 -44.86 92.08 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.174 0.897 . . . . 0.0 112.794 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -60.03 -39.9 87.47 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 127.671 2.389 . . . . 0.0 111.549 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -61.26 -49.77 75.75 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.724 1.21 . . . . 0.0 111.861 169.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -63.28 -36.88 85.13 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.115 -0.991 . . . . 0.0 112.778 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.51 -44.09 96.4 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.14 0.882 . . . . 0.0 112.43 170.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -58.43 -43.95 88.92 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.738 1.215 . . . . 0.0 112.191 171.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.41 -61.49 2.5 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.905 0.775 . . . . 0.0 111.406 173.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.8 p -76.3 43.5 0.3 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 128.155 2.582 . . . . 0.0 114.159 -173.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -32.22 99.39 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.758 1.223 . . . . 0.0 112.68 -136.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -133.85 143.22 48.19 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 128.518 2.727 . . . . 0.0 109.659 -162.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -79.35 118.26 21.09 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.565 0.746 . . . . 0.0 110.753 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.94 131.74 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 123.286 0.634 . . . . 0.0 110.249 170.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -129.22 123.89 33.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.028 0.918 . . . . 0.0 112.315 168.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -87.51 109.12 19.38 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 124.628 1.171 . . . . 0.0 110.886 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -116.0 30.26 7.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.989 2.115 . . . . 0.0 108.703 -177.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -76.0 52.92 0.74 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.831 2.052 . . . . 0.0 112.694 -168.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.42 -5.79 51.29 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 126.182 1.849 . . . . 0.0 115.43 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.35 8.06 65.24 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-N 118.469 1.135 . . . . 0.0 114.757 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -127.29 1.41 6.38 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.267 1.533 . . . . 0.0 112.824 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.8 t30 44.11 47.29 7.45 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.544 1.938 . . . . 0.0 111.664 -167.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -60.58 -28.65 68.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.765 1.226 . . . . 0.0 112.621 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 50.0 tp -54.34 -26.65 30.96 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.158 1.783 . . . . 0.0 112.834 164.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.78 -28.16 6.9 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.313 0.959 . . . . 0.0 113.457 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 m -54.68 -39.59 68.25 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.268 1.827 . . . . 0.0 112.584 171.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.85 -21.43 44.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.033 1.333 . . . . 0.0 114.319 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.1 m -124.49 -11.41 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -167.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.04 20.51 8.71 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.221 1.391 . . . . 0.0 116.091 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 42.1 tptt 52.72 -55.88 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 130.918 3.687 . . . . 0.0 118.711 172.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.23 136.01 55.28 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.001 1.721 . . . . 0.0 111.903 -169.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.1 p90 56.31 -39.87 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 130.025 3.33 . . . . 0.0 116.905 -172.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -70.11 68.53 0.32 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.613 2.365 . . . . 0.0 112.905 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.3 p -52.65 133.58 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 160.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.27 45.38 3.44 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 116.184 1.234 . . . . 0.0 116.184 -142.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 p -87.55 110.02 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 118.551 1.176 . . . . 0.0 108.583 164.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.414 ' C ' ' HG ' ' A' ' 91' ' ' SER . 25.7 t -135.74 159.24 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.164 1.386 . . . . 0.0 108.387 -166.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 15.0 m -149.08 155.79 41.25 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 119.699 -1.876 . . . . 0.0 110.894 166.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mm -120.82 136.33 58.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 125.819 1.648 . . . . 0.0 109.002 -178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.69 -105.11 0.34 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.894 2.078 . . . . 0.0 107.882 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.91 94.63 4.6 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.943 -1.098 . . . . 0.0 110.577 170.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.38 65.15 0.42 Allowed 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.564 -0.71 . . . . 0.0 111.59 165.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.65 39.2 0.75 Allowed Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.408 1.48 . . . . 0.0 114.179 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -144.02 -81.02 0.18 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.019 1.328 . . . . 0.0 110.478 -169.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 t -108.28 152.77 24.17 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.643 1.687 . . . . 0.0 111.702 161.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -52.22 3.41 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.902 1 C-N-CA 136.039 5.736 . . . . 0.0 117.866 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.6 tt -48.12 -50.58 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.961 1.255 . . . . 0.0 114.078 -161.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.355 0.1 OUTLIER -61.28 -11.69 10.62 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 117.141 2.275 . . . . 0.0 117.141 179.323 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 t -109.04 -11.8 14.91 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 162.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 77.7 p -109.88 -16.46 13.86 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.603 ' CD2' ' H ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -64.82 170.63 4.05 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 124.419 2.057 . . . . 0.0 113.813 -175.183 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.603 ' H ' ' CD2' ' A' ' 104' ' ' LEU . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-N 110.295 -3.138 . . . . 0.0 112.904 160.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 118.627 -0.701 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -68.97 -178.09 1.9 Allowed 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.816 2.344 . . . . 0.0 112.73 161.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.37 -48.28 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.611 0.765 . . . . 0.0 111.462 170.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -92.77 178.98 5.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.41 1.084 . . . . 0.0 110.144 164.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -66.88 159.72 27.69 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -173.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -90.22 -40.49 12.15 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.792 1.237 . . . . 0.0 113.807 -165.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -47.81 80.12 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.192 1.397 . . . . 0.0 112.792 -175.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -63.3 -49.94 72.03 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 126.169 1.787 . . . . 0.0 111.242 -174.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -51.15 76.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.325 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.399 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -53.82 -57.2 11.79 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.613 1.097 . . . . 0.0 111.906 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -56.7 -57.4 12.58 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.976 0.91 . . . . 0.0 110.932 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -66.5 -34.12 77.21 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-O 118.877 -0.583 . . . . 0.0 112.172 -175.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -71.64 -41.49 68.74 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.147 0.885 . . . . 0.0 111.662 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.42 94.47 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.34 0.973 . . . . 0.0 111.975 171.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tt -55.47 -39.53 70.5 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.25 1.02 . . . . 0.0 111.15 172.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -63.84 -57.08 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 119.115 0.87 . . . . 0.0 112.975 167.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 mt -57.21 -17.84 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.706 1.602 . . . . 0.0 113.788 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -47.69 -34.94 8.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.727 1.611 . . . . 0.0 113.354 164.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.6 p -149.35 -14.89 0.29 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 172.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.8 169.49 54.24 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.937 1.256 . . . . 0.0 113.201 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.03 129.95 46.14 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.441 -1.035 . . . . 0.0 112.811 -171.578 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -133.82 166.88 21.62 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.775 1.63 . . . . 0.0 113.248 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 t -140.67 149.62 42.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.953 2.101 . . . . 0.0 110.107 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -140.21 135.11 32.05 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.849 1.26 . . . . 0.0 114.154 -166.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.59 149.71 26.04 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.551 1.072 . . . . 0.0 111.876 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -54.36 -65.52 0.56 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -161.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -20.06 60.82 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.281 -0.887 . . . . 0.0 111.968 -178.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -59.37 -52.98 63.28 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.854 1.261 . . . . 0.0 111.677 169.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.285 4.9 t -61.48 -53.1 60.91 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 116.222 -1.847 . . . . 0.0 109.647 172.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.5 t -43.87 -55.17 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 122.025 2.193 . . . . 0.0 113.29 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -49.2 -57.7 6.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.265 1.426 . . . . 0.0 111.278 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.2 m -60.11 -31.87 70.45 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.661 1.584 . . . . 0.0 114.039 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.0 mt -82.84 -34.76 26.78 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.171 1.389 . . . . 0.0 112.017 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -67.0 -25.8 66.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.935 0.894 . . . . 0.0 111.777 169.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -72.37 0.14 10.89 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.22 1.408 . . . . 0.0 113.594 162.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.76 -36.12 1.03 Allowed Glycine 0 CA--C 1.532 1.144 0 C-N-CA 127.594 2.521 . . . . 0.0 116.516 166.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -73.59 24.11 0.07 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.343 2.257 . . . . 0.0 116.331 -162.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.4 p -90.84 172.99 8.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.36 2.264 . . . . 0.0 113.399 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -138.07 -19.74 1.13 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 167.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.5 141.42 24.77 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.166 1.348 . . . . 0.0 111.185 175.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 pt -115.0 140.73 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.188 1.395 . . . . 0.0 111.383 169.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.2 mm -112.54 138.15 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.845 0.858 . . . . 0.0 108.933 169.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mt -123.59 90.38 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.78 0.832 . . . . 0.0 109.159 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.87 85.37 2.16 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.585 1.954 . . . . 0.0 108.97 161.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -158.79 169.48 24.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.133 0.973 . . . . 0.0 111.534 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -61.05 76.95 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.426 1.89 . . . . 0.0 109.979 169.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -112.36 91.56 16.84 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -164.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -74.02 170.35 20.32 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.985 2.457 . . . . 0.0 111.532 168.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.8 t -52.02 -53.02 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.29 1.436 . . . . 0.0 112.926 -170.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.78 -40.46 92.64 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.533 0.606 . . . . 0.0 112.125 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -65.48 -52.17 54.81 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.241 1.416 . . . . 0.0 110.552 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -57.85 -48.58 79.38 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -77.39 -17.75 57.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 117.206 -1.378 . . . . 0.0 113.349 -171.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.06 -51.35 69.53 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.829 1.649 . . . . 0.0 110.023 159.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.53 -43.77 96.81 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 121.696 0.76 . . . . 0.0 112.59 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -57.67 -41.37 81.39 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.74 2.416 . . . . 0.0 111.212 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -59.37 -45.16 92.2 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.275 1.03 . . . . 0.0 111.42 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -72.81 -31.39 64.79 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.36 -0.837 . . . . 0.0 113.256 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.31 -37.68 72.85 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.279 0.945 . . . . 0.0 112.067 167.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -75.52 -40.38 57.07 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.65 1.98 . . . . 0.0 114.146 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.19 -51.72 35.11 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.529 1.059 . . . . 0.0 111.945 176.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.4 p -62.79 -175.74 0.1 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 158.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -121.9 85.16 2.36 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.025 -1.672 . . . . 0.0 108.767 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.4 m -144.35 134.6 24.33 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.993 1.317 . . . . 0.0 110.792 -153.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -78.96 154.31 29.68 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.981 1.312 . . . . 0.0 111.386 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.03 130.47 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.242 1.417 . . . . 0.0 111.198 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -126.2 107.69 10.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.684 1.194 . . . . 0.0 111.752 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -82.8 115.08 21.55 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.259 1.024 . . . . 0.0 112.652 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -130.13 14.17 5.69 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.449 2.3 . . . . 0.0 111.69 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -66.79 -5.15 11.05 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 119.514 -1.991 . . . . 0.0 113.998 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.78 0.46 87.96 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 125.99 1.757 . . . . 0.0 114.601 163.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.27 -39.54 1.36 Allowed Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.584 1.564 . . . . 0.0 111.405 161.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.53 -68.7 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 128.389 2.676 . . . . 0.0 115.422 166.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -20.0 65.99 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.229 1.412 . . . . 0.0 113.074 171.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.49 -173.12 2.4 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.73 1.212 . . . . 0.0 112.883 -174.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 16.1 tp 67.75 -27.02 0.13 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.44 2.296 . . . . 0.0 114.709 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.72 -37.84 14.8 Favored Glycine 0 N--CA 1.477 1.375 0 CA-C-N 120.26 1.391 . . . . 0.0 112.09 159.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 m -53.34 -37.9 62.75 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.569 2.747 . . . . 0.0 113.304 169.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.06 -46.2 8.26 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.335 1.454 . . . . 0.0 113.055 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 m -71.77 -13.52 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.09 64.23 2.73 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.572 1.082 . . . . 0.0 111.429 167.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -141.74 162.46 35.42 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.419 1.488 . . . . 0.0 110.72 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.47 -27.26 64.09 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -82.44 116.19 21.79 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.983 0.913 . . . . 0.0 112.029 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -74.13 73.46 1.74 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.427 1.091 . . . . 0.0 111.224 169.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.5 p -157.97 164.34 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 127.61 2.364 . . . . 0.0 108.249 166.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.81 69.82 0.29 Allowed Glycine 0 CA--C 1.527 0.817 0 O-C-N 121.59 -0.694 . . . . 0.0 114.72 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.3 p -92.35 112.59 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 157.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.06 157.78 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.423 1.489 . . . . 0.0 109.057 -162.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 m -144.53 155.25 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 120.386 -1.446 . . . . 0.0 111.037 157.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.5 mm -119.74 139.31 47.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 C-N-CA 126.174 1.79 . . . . 0.0 108.776 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 mp -116.28 -96.15 0.47 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.94 1.696 . . . . 0.0 108.097 -173.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -77.09 92.84 3.8 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.546 1.138 . . . . 0.0 110.086 173.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.0 44.87 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.463 1.505 . . . . 0.0 112.693 163.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.51 41.14 1.36 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.996 1.76 . . . . 0.0 114.004 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -144.49 -81.69 0.17 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.219 1.407 . . . . 0.0 109.725 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.6 t -109.99 159.43 17.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.929 1.292 . . . . 0.0 111.275 160.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.55 9.64 0.24 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.801 2.44 . . . . 0.0 116.652 -166.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 tt -38.8 -63.03 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.131 1.372 . . . . 0.0 113.806 -145.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.262 0.0 OUTLIER -62.89 -5.05 2.51 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -172.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 68.9 p -74.46 -77.3 0.12 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.464 1.106 . . . . 0.0 110.171 159.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.6 p -69.3 -31.86 70.62 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.228 2.611 . . . . 0.0 115.045 -172.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.76 87.78 0.98 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.495 1.518 . . . . 0.0 108.517 173.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.641 1.977 . . . . 0.0 113.932 -179.622 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -77.12 179.22 6.73 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 124.307 3.338 . . . . 0.0 111.774 169.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.7 t -58.8 127.08 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.707 1.203 . . . . 0.0 110.273 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.551 ' HZ2' ' ND2' ' A' ' 11' ' ' ASN . 52.2 tttt -75.02 49.29 0.43 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.411 1.484 . . . . 0.0 114.307 -174.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -56.08 -36.34 68.0 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.384 -1.448 . . . . 0.0 111.718 171.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -57.7 -5.73 0.42 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 129.047 2.939 . . . . 0.0 116.142 168.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.4 ' HA ' ' HE2' ' A' ' 5' ' ' LYS . 9.8 tp10 -51.52 -40.62 59.97 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.203 1.365 . . . . 0.0 111.335 163.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 p -39.25 -63.4 0.55 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.906 2.082 . . . . 0.0 113.591 168.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -48.14 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.773 0.829 . . . . 0.0 111.633 174.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.551 ' ND2' ' HZ2' ' A' ' 5' ' ' LYS . 20.1 t30 -52.22 -56.53 14.1 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.007 1.323 . . . . 0.0 112.488 -176.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.13 -40.3 94.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.479 0.712 . . . . 0.0 111.232 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 57.0 tttp -63.15 -43.35 98.58 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.117 1.367 . . . . 0.0 111.377 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.71 -37.27 82.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.141 0.976 . . . . 0.0 111.886 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.72 -46.3 86.01 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.254 0.934 . . . . 0.0 111.609 172.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.33 -39.6 73.06 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.492 1.117 . . . . 0.0 111.537 173.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.93 -62.45 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.489 166.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.7 mt -49.99 -32.51 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.892 1.677 . . . . 0.0 113.518 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.32 -18.06 9.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.111 1.765 . . . . 0.0 114.354 174.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 p -148.42 -21.35 0.33 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 163.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.4 158.66 32.85 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.551 1.548 . . . . 0.0 113.513 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -87.04 127.45 35.11 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.261 1.024 . . . . 0.0 112.257 -168.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -130.39 174.48 9.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.895 1.678 . . . . 0.0 113.252 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.7 t -146.78 153.88 40.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.129 1.771 . . . . 0.0 111.18 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -140.43 130.56 24.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.879 1.672 . . . . 0.0 112.835 -169.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.71 150.34 25.37 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.155 0.883 . . . . 0.0 112.64 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -54.07 -55.84 23.69 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.223 1.009 . . . . 0.0 113.568 -164.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -55.58 -44.77 77.23 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.909 0.884 . . . . 0.0 111.735 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -60.34 -49.94 75.61 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 126.851 2.06 . . . . 0.0 112.476 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.28 8.8 t -61.19 -63.15 1.39 Allowed 'General case' 0 C--N 1.345 0.401 0 CA-C-O 116.285 -1.817 . . . . 0.0 109.595 170.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -44.0 -51.33 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 121.818 2.099 . . . . 0.0 112.967 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -48.83 -60.7 2.53 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.822 1.249 . . . . 0.0 111.255 170.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 m -62.01 -35.95 80.09 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.34 1.456 . . . . 0.0 113.671 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.22 -44.64 68.18 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.572 0.749 . . . . 0.0 110.789 174.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -65.5 -25.24 67.39 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.449 0.699 . . . . 0.0 112.572 174.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -76.3 0.59 18.81 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.342 1.457 . . . . 0.0 114.093 165.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.12 -22.43 0.96 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.369 1.938 . . . . 0.0 116.913 167.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -72.38 -4.99 33.29 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.466 1.507 . . . . 0.0 114.816 -172.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -63.48 160.62 16.02 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.32 -0.862 . . . . 0.0 112.725 170.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -138.83 -13.55 1.24 Allowed 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 163.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.3 141.82 30.02 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.796 1.18 . . . . 0.0 111.126 171.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 pt -119.31 144.14 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.367 1.467 . . . . 0.0 111.608 168.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 18.2 mm -116.52 136.17 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.737 1.215 . . . . 0.0 108.318 168.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mt -118.76 111.69 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 164.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.98 59.32 1.07 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.782 1.633 . . . . 0.0 111.654 174.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.32 169.32 21.09 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.868 1.267 . . . . 0.0 111.106 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -68.67 33.32 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.244 2.218 . . . . 0.0 114.127 175.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.0 m -68.45 111.96 9.65 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 127.924 2.49 . . . . 0.0 111.581 -170.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.32 165.4 32.56 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.599 2.2 . . . . 0.0 112.364 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.6 t -49.33 -56.27 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.731 1.612 . . . . 0.0 113.119 -167.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.81 -35.31 76.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.731 0.696 . . . . 0.0 112.525 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.87 -50.94 24.97 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.417 1.487 . . . . 0.0 110.639 179.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -58.84 -46.67 87.16 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -77.21 -16.97 58.84 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 118.016 -0.992 . . . . 0.0 113.376 -172.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.69 -46.58 78.5 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.181 1.355 . . . . 0.0 110.987 160.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mt -59.32 -44.58 92.57 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.233 0.924 . . . . 0.0 112.55 174.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -58.47 -41.02 84.26 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.631 2.373 . . . . 0.0 110.889 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -62.81 -47.9 81.42 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.27 1.428 . . . . 0.0 111.801 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -63.08 -38.09 89.82 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.052 0.842 . . . . 0.0 112.514 174.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.54 76.58 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.086 0.857 . . . . 0.0 111.663 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.2 ttp -56.94 -40.0 75.57 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.172 1.389 . . . . 0.0 112.826 174.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.2 -65.67 0.64 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.304 0.956 . . . . 0.0 111.658 172.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.4 p -71.94 47.45 0.15 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.102 2.961 . . . . 0.0 114.261 -169.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -31.52 94.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.578 1.551 . . . . 0.0 112.234 -133.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -132.7 143.89 49.93 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 128.375 2.67 . . . . 0.0 109.599 -162.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -78.76 146.39 33.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.637 1.175 . . . . 0.0 110.773 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.6 t -109.43 143.37 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.813 1.245 . . . . 0.0 109.772 173.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -137.63 151.69 48.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.593 1.157 . . . . 0.0 111.407 166.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -123.22 103.67 8.68 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.637 1.575 . . . . 0.0 109.081 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -98.35 139.38 34.2 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.13 1.372 . . . . 0.0 108.693 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.256 25.9 pt20 -74.17 82.59 1.81 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.586 1.184 . . . . 0.0 113.422 -178.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.01 -19.01 9.85 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 127.333 2.397 . . . . 0.0 116.09 -177.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.24 -8.75 12.99 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 118.855 1.327 . . . . 0.0 114.158 167.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 76' ' ' GLU . 0.2 OUTLIER -81.61 -23.13 37.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.898 1.279 . . . . 0.0 113.623 166.248 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 55.86 -23.5 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 128.634 2.773 . . . . 0.0 115.248 -164.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 74' ' ' ASN . 26.5 mm-40 -55.35 -12.92 1.17 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 127.796 2.438 . . . . 0.0 117.461 -167.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.39 -21.97 60.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 121.316 1.871 . . . . 0.0 111.924 166.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.64 -32.81 25.25 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.61 1.1 . . . . 0.0 113.639 163.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 m -65.43 -22.91 66.82 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.886 1.343 . . . . 0.0 112.13 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.07 -41.6 12.22 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 m -101.28 -12.91 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -166.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.29 104.03 1.46 Allowed Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.632 1.111 . . . . 0.0 110.579 -172.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -62.8 -4.1 1.92 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -165.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 tt -61.58 -34.82 76.26 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.082 2.153 . . . . 0.0 112.613 162.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -68.56 153.17 44.28 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -171.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -126.47 177.21 6.62 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.957 2.903 . . . . 0.0 107.449 165.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 m 37.65 69.67 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 126.216 1.806 . . . . 0.0 113.192 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.46 74.23 1.3 Allowed Glycine 0 CA--C 1.527 0.836 0 C-N-CA 125.416 1.484 . . . . 0.0 113.908 -164.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -89.27 116.63 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.587 0.708 . . . . 0.0 109.881 164.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.411 ' C ' ' HG ' ' A' ' 91' ' ' SER . 25.0 t -132.75 155.71 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 125.962 1.705 . . . . 0.0 108.964 -167.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.411 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 13.9 m -147.0 155.41 42.22 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 120.27 -1.518 . . . . 0.0 111.461 161.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.1 mm -119.63 135.61 59.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 126.615 1.966 . . . . 0.0 108.906 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mp -111.13 -103.89 0.39 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.324 1.85 . . . . 0.0 108.163 -176.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -77.94 81.41 4.34 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.704 1.202 . . . . 0.0 109.697 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.7 11.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.699 2.799 . . . . 0.0 117.193 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.18 55.54 0.04 OUTLIER Glycine 0 CA--C 1.537 1.414 0 C-N-CA 128.251 2.834 . . . . 0.0 118.723 -151.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -139.97 -64.08 0.49 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.374 1.87 . . . . 0.0 109.106 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -110.17 156.09 21.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 123.206 1.479 . . . . 0.0 112.398 162.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -52.45 4.23 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 1 C-N-CA 134.18 4.992 . . . . 0.0 117.043 170.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.446 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 13.0 tt -45.9 -47.35 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 120.327 1.421 . . . . 0.0 113.677 -157.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.351 0.0 OUTLIER -86.08 9.33 17.57 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -173.131 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.3 t -106.38 -5.71 18.81 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 151.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.2 m -107.39 -39.71 5.58 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.291 1.436 . . . . 0.0 113.281 -175.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.33 81.23 7.55 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.87 2.068 . . . . 0.0 112.134 -164.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 C-N-CA 125.738 1.615 . . . . 0.0 111.848 162.222 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 118.132 -0.937 . . . . 0.0 109.189 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -76.23 66.26 7.07 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.404 2.736 . . . . 0.0 113.964 -168.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.69 -25.96 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.29 1.436 . . . . 0.0 113.954 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -91.27 106.54 18.58 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.544 1.538 . . . . 0.0 107.712 169.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 m -40.38 128.18 2.37 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.381 2.272 . . . . 0.0 115.565 -157.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' NE2' ' H ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -45.8 -65.74 0.5 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 129.389 3.076 . . . . 0.0 113.408 -167.791 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -37.39 67.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.642 2.777 . . . . 0.0 112.928 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -70.08 -51.76 29.22 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.759 1.624 . . . . 0.0 110.995 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -44.59 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.697 171.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -54.05 -57.0 12.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.624 1.169 . . . . 0.0 111.934 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -56.42 -53.19 60.29 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.767 1.227 . . . . 0.0 111.357 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.13 -35.46 78.8 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 118.378 0.535 . . . . 0.0 111.984 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.49 -38.94 77.87 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.348 0.977 . . . . 0.0 112.686 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.79 89.34 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.893 1.224 . . . . 0.0 111.914 170.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.54 -34.48 64.74 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.893 1.277 . . . . 0.0 111.367 171.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.83 -51.51 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.015 1.726 . . . . 0.0 112.488 170.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.3 mt -57.18 -21.95 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.9 1.28 . . . . 0.0 113.545 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -48.41 -33.49 9.29 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.361 1.864 . . . . 0.0 114.204 162.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 p -158.03 23.9 0.26 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.375 1.47 . . . . 0.0 113.163 -154.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.86 150.69 22.88 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.759 0.695 . . . . 0.0 113.389 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -79.59 114.05 18.22 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.525 1.13 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -118.63 168.75 10.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.752 1.221 . . . . 0.0 113.968 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -144.07 160.73 40.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.401 2.28 . . . . 0.0 110.18 173.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.7 mt -144.4 145.34 31.87 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.284 1.433 . . . . 0.0 112.398 -164.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.04 160.42 21.29 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.249 1.404 . . . . 0.0 113.635 171.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.53 -80.6 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -162.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -23.33 65.92 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.095 -1.628 . . . . 0.0 112.425 -175.324 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.5 t -54.59 -58.63 6.73 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 128.507 2.723 . . . . 0.0 113.354 166.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -69.26 -35.52 76.19 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 116.344 -1.788 . . . . 0.0 110.789 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.8 t -52.73 -55.01 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 122.08 2.218 . . . . 0.0 110.908 173.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.53 -52.5 22.28 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.496 1.519 . . . . 0.0 110.675 170.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.3 m -65.25 -26.94 68.32 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.78 -30.88 18.68 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.038 1.735 . . . . 0.0 111.12 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -66.58 -21.2 66.14 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.464 1.105 . . . . 0.0 112.384 168.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -69.13 -2.22 9.72 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 161.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.04 -39.24 1.81 Allowed Glycine 0 CA--C 1.531 1.081 0 C-N-CA 126.516 2.007 . . . . 0.0 116.162 163.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -72.0 17.89 0.09 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -167.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -83.6 167.09 17.63 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.649 1.18 . . . . 0.0 113.721 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 -22.8 0.91 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -146.13 128.41 15.8 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 120.224 1.374 . . . . 0.0 111.474 176.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.5 pt -111.58 141.33 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.24 1.416 . . . . 0.0 111.923 167.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 40.2 mm -118.17 124.57 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 127.748 2.419 . . . . 0.0 108.435 175.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mt -116.46 106.14 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.62 64.97 0.8 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.316 1.846 . . . . 0.0 110.649 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -151.2 161.03 43.47 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.29 1.036 . . . . 0.0 111.702 -176.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -60.7 68.01 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 129.535 3.134 . . . . 0.0 114.081 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.9 m -98.88 110.64 58.23 Favored Pre-proline 0 N--CA 1.469 0.51 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -152.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -77.21 168.5 23.01 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.006 2.471 . . . . 0.0 111.951 170.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.92 -42.49 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.081 1.352 . . . . 0.0 112.226 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.8 -47.51 83.14 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.534 0.734 . . . . 0.0 111.988 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -59.55 -51.11 71.27 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.793 0.837 . . . . 0.0 110.18 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -59.55 -46.59 88.46 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.2 m -53.22 -47.98 68.51 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.651 1.18 . . . . 0.0 111.428 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.57 -50.89 72.13 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.525 1.057 . . . . 0.0 111.556 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.1 -41.39 97.3 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.811 0.815 . . . . 0.0 112.615 -176.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.8 -38.57 91.6 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.063 2.545 . . . . 0.0 111.703 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.94 -45.68 91.84 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.265 1.026 . . . . 0.0 111.535 171.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -69.35 -36.74 77.19 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.35 -0.844 . . . . 0.0 112.825 175.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -36.65 68.8 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 169.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.5 ttp -77.53 -36.78 52.02 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.137 2.175 . . . . 0.0 114.15 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.38 -52.88 28.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.561 1.145 . . . . 0.0 111.431 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.6 p -62.42 -174.24 0.06 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.994 0.918 . . . . 0.0 110.456 158.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -121.83 73.84 1.1 Allowed 'General case' 0 N--CA 1.477 0.875 0 O-C-N 119.561 -1.962 . . . . 0.0 109.838 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 98.2 m -127.91 133.45 49.28 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.141 -155.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -78.05 140.66 39.13 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.419 1.088 . . . . 0.0 109.988 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.1 t -110.14 132.72 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.532 1.133 . . . . 0.0 110.558 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -131.32 106.22 8.14 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.845 0.831 . . . . 0.0 113.21 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -79.48 75.4 6.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.38 1.472 . . . . 0.0 112.086 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.8 42.93 0.56 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.096 2.158 . . . . 0.0 110.77 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -61.5 -14.81 32.19 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 -164.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.36 -10.68 63.6 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.728 1.156 . . . . 0.0 114.875 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.85 33.9 1.44 Allowed Glycine 0 CA--C 1.533 1.179 0 CA-C-N 119.833 1.817 . . . . 0.0 114.219 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -18.07 5.83 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 130.159 3.384 . . . . 0.0 116.559 -165.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.64 -28.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.946 1.698 . . . . 0.0 110.862 172.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' A' ' 76' ' ' GLU . 13.0 mp0 -66.09 -43.87 86.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 129.165 2.986 . . . . 0.0 109.474 -170.154 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 tp -65.05 -31.0 72.0 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.974 -0.454 . . . . 0.0 111.891 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.45 -20.99 56.63 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.046 -0.863 . . . . 0.0 113.807 168.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.5 m -87.91 -29.77 20.6 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.228 1.514 . . . . 0.0 111.963 169.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.38 98.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.684 1.129 . . . . 0.0 111.451 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.8 m -92.3 -19.04 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.587 0.755 . . . . 0.0 112.724 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.32 56.11 11.04 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.653 1.596 . . . . 0.0 112.506 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -141.06 164.34 30.54 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.689 1.196 . . . . 0.0 112.918 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.8 tp -76.35 -24.47 54.23 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -168.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -67.38 -24.92 65.74 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -172.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 63.66 -59.94 0.17 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.81 2.844 . . . . 0.0 114.823 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.5 p -103.12 125.69 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 127.001 2.121 . . . . 0.0 110.821 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.03 -171.51 41.15 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 116.675 1.43 . . . . 0.0 116.675 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.01 145.87 11.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 126.612 1.965 . . . . 0.0 110.862 172.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.0 t -131.98 142.45 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 127.556 2.342 . . . . 0.0 106.878 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 m -134.6 148.24 50.39 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.798 0.726 . . . . 0.0 110.702 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.2 mm -121.46 136.72 57.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 125.512 1.525 . . . . 0.0 108.719 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.61 -61.84 1.62 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.031 1.332 . . . . 0.0 110.583 -171.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -130.74 94.03 3.54 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.291 1.036 . . . . 0.0 109.878 -174.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.48 98.0 10.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.795 0.838 . . . . 0.0 110.624 174.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.13 -38.75 97.04 Favored Glycine 0 CA--C 1.534 1.255 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 170.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -141.82 152.14 43.42 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 148.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.31 177.96 4.59 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 118.94 -2.35 . . . . 0.0 112.969 -8.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -71.72 18.31 0.08 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -162.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 tt -54.39 -31.52 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.164 -1.585 . . . . 0.0 113.48 -172.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.324 0.2 OUTLIER -70.94 -9.36 57.72 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 176.153 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.4 -64.89 1.0 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.252 1.021 . . . . 0.0 109.52 147.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.58 89.36 2.97 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.992 1.317 . . . . 0.0 112.699 -158.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 tt -102.85 -33.73 9.24 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.64 1.576 . . . . 0.0 114.155 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 C-N-CA 131.486 3.915 . . . . 0.0 114.208 -4.227 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 117.55 -1.215 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -53.19 165.15 1.49 Allowed 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 123.675 2.916 . . . . 0.0 114.887 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p -82.85 -170.8 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 159.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -59.71 16.37 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 172.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 p -66.63 7.5 0.34 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.904 2.882 . . . . 0.0 115.79 -167.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -68.29 -27.3 66.19 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -164.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -42.06 18.21 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.989 1.268 . . . . 0.0 110.775 170.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.9 m -59.62 -48.4 81.81 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 128.467 2.707 . . . . 0.0 110.589 -174.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -53.56 25.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 C-N-CA 125.489 1.516 . . . . 0.0 111.166 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.82 -51.17 70.69 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.153 0.888 . . . . 0.0 111.165 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -67.22 -48.27 68.35 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.378 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HZ2' ' CG ' ' A' ' 99' ' ' ASP . 4.0 tppp? -61.26 -38.74 87.79 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.146 0.884 . . . . 0.0 111.52 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.79 -44.69 73.09 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.77 0.828 . . . . 0.0 111.296 178.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.8 99.14 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.428 1.013 . . . . 0.0 112.059 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -57.33 -43.08 83.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.634 1.174 . . . . 0.0 110.889 173.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -61.04 -53.71 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.343 1.057 . . . . 0.0 112.629 170.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mt -54.72 -18.92 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 126.331 1.852 . . . . 0.0 113.643 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -48.52 -36.43 15.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.373 1.469 . . . . 0.0 113.624 166.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.8 p -151.87 -12.1 0.19 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.37 152.64 36.21 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 119.67 1.123 . . . . 0.0 112.428 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -85.55 116.49 23.88 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.576 1.15 . . . . 0.0 111.861 -171.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -123.39 175.17 6.89 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.237 1.815 . . . . 0.0 113.716 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -146.17 148.83 32.95 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.823 2.049 . . . . 0.0 110.576 173.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.7 mt -136.86 129.7 30.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.509 1.523 . . . . 0.0 113.543 -168.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.76 150.18 26.39 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 123.991 0.805 . . . . 0.0 112.195 177.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.94 -57.9 10.13 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -165.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -55.01 -43.02 73.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.056 0.942 . . . . 0.0 111.686 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -57.7 -57.57 12.15 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.543 1.537 . . . . 0.0 111.465 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.251 8.4 t -59.96 -51.24 70.52 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-O 117.315 -1.326 . . . . 0.0 110.464 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.0 t -49.81 -51.51 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 121.394 1.906 . . . . 0.0 112.552 177.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -56.08 -50.55 70.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.551 0.74 . . . . 0.0 111.699 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -60.24 -48.34 82.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.544 1.538 . . . . 0.0 112.39 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 mt -67.67 -34.76 77.57 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.662 1.185 . . . . 0.0 111.843 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -74.7 -35.57 62.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.385 -0.817 . . . . 0.0 112.924 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -106.17 -13.21 15.49 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -173.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.45 174.07 22.75 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 120.293 1.406 . . . . 0.0 115.044 -169.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 73.04 2.06 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.491 1.516 . . . . 0.0 111.603 -174.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.0 p -56.09 152.68 10.17 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.897 1.279 . . . . 0.0 112.614 167.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.81 -32.71 0.48 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 166.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -142.12 131.14 23.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.783 1.233 . . . . 0.0 109.657 177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.2 pt -112.93 147.0 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.798 0.839 . . . . 0.0 111.82 171.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 21.1 mm -122.72 125.15 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 124.796 1.239 . . . . 0.0 109.566 172.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -102.45 88.0 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 164.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.2 57.53 0.66 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 122.929 1.347 . . . . 0.0 109.546 163.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.94 140.13 29.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.705 1.602 . . . . 0.0 107.481 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.74 77.27 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.007 1.723 . . . . 0.0 112.391 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.3 m -106.45 121.45 45.23 Favored Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 127.361 2.265 . . . . 0.0 110.669 -162.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.82 167.89 25.34 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.057 2.505 . . . . 0.0 112.594 176.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.1 t -52.81 -51.33 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.679 1.592 . . . . 0.0 113.014 -170.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.4 mt -57.6 -50.35 73.43 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.876 0.762 . . . . 0.0 111.371 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -48.32 82.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.736 2.014 . . . . 0.0 111.612 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -61.77 -44.38 97.01 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 118.704 -0.665 . . . . 0.0 109.331 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -58.38 -34.49 70.77 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-O 118.528 -0.749 . . . . 0.0 112.323 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -66.95 -48.16 69.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.125 0.875 . . . . 0.0 111.477 173.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mt -58.99 -45.59 90.27 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 122.056 0.931 . . . . 0.0 112.447 175.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.58 -37.79 79.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.295 2.238 . . . . 0.0 111.563 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -61.98 -47.26 85.63 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.128 1.371 . . . . 0.0 111.632 170.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -66.43 -34.61 78.33 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.411 1.005 . . . . 0.0 113.107 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.03 83.0 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.918 0.781 . . . . 0.0 112.134 168.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.31 -42.04 94.74 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.477 1.511 . . . . 0.0 112.497 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.77 -68.25 0.36 Allowed 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.66 1.184 . . . . 0.0 110.735 172.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.9 p -79.89 62.46 4.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.243 1.817 . . . . 0.0 111.37 -172.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -33.89 98.03 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.303 2.241 . . . . 0.0 113.466 -145.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -141.63 149.33 40.52 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.487 1.915 . . . . 0.0 112.24 -162.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -86.39 149.41 25.03 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.959 0.904 . . . . 0.0 111.232 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 t -114.09 152.22 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.139 1.376 . . . . 0.0 111.384 -174.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -140.46 149.96 43.2 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.716 1.207 . . . . 0.0 111.85 171.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -129.97 120.22 24.45 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 125.393 1.477 . . . . 0.0 110.857 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -149.11 37.91 0.79 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.026 1.331 . . . . 0.0 110.107 -167.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -104.66 54.02 0.72 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.84 1.656 . . . . 0.0 111.221 -172.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.06 38.44 0.53 Allowed Glycine 0 CA--C 1.532 1.139 0 C-N-CA 128.001 2.715 . . . . 0.0 114.168 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.54 -12.69 20.11 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.549 1.547 . . . . 0.0 114.61 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -121.02 3.92 10.45 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.309 1.555 . . . . 0.0 113.57 -159.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 48.0 45.35 19.17 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.659 2.384 . . . . 0.0 112.5 -174.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -47.59 -46.0 27.82 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.761 2.025 . . . . 0.0 116.367 -156.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 tp -62.61 -14.08 38.83 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.295 1.038 . . . . 0.0 113.378 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.68 -31.64 7.51 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.855 0.752 . . . . 0.0 112.085 162.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 m -54.39 -44.81 72.61 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.707 1.603 . . . . 0.0 112.08 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -58.47 4.36 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.04 0.936 . . . . 0.0 111.146 168.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.3 m -99.69 -11.7 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 -154.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.03 -17.54 0.07 OUTLIER Glycine 0 N--CA 1.474 1.201 0 N-CA-C 117.791 1.876 . . . . 0.0 117.791 -175.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 47.95 -78.1 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 129.729 3.212 . . . . 0.0 113.345 -176.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.21 -51.0 65.83 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.294 2.238 . . . . 0.0 110.9 172.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -80.07 86.65 5.51 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 123.603 1.668 . . . . 0.0 110.235 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -72.87 64.1 0.67 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.978 2.111 . . . . 0.0 111.861 -174.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.0 t -139.71 110.17 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 126.74 2.016 . . . . 0.0 108.529 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.04 33.83 5.91 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.564 1.078 . . . . 0.0 113.801 -176.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.9 p -78.58 109.05 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.63 1.215 . . . . 0.0 108.827 164.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.404 ' C ' ' HG ' ' A' ' 91' ' ' SER . 21.2 t -127.29 157.9 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.395 1.478 . . . . 0.0 109.031 -170.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.404 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 14.6 m -145.53 154.05 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 120.168 -1.582 . . . . 0.0 110.323 158.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.7 mm -122.72 137.04 57.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 125.855 1.662 . . . . 0.0 108.625 -177.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.37 -63.79 1.34 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.039 1.735 . . . . 0.0 109.645 -171.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -121.93 93.28 3.95 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.081 1.352 . . . . 0.0 109.335 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.75 62.84 0.59 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.881 -0.512 . . . . 0.0 111.504 169.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.8 37.85 0.62 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.704 1.621 . . . . 0.0 113.51 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -141.46 -88.58 0.16 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.0 1.72 . . . . 0.0 109.505 -170.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -110.23 166.24 11.12 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 123.272 1.511 . . . . 0.0 113.146 165.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.451 ' CG ' ' HZ2' ' A' ' 13' ' ' LYS . 11.2 p-10 -53.39 4.2 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.961 1 C-N-CA 134.703 5.201 . . . . 0.0 119.868 -176.097 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.9 tt -51.47 -50.93 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 121.801 2.091 . . . . 0.0 113.974 -161.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.36 0.1 OUTLIER -65.38 -6.16 9.44 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 176.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.2 t -108.07 -11.44 15.29 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 162.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.9 m -106.92 -38.1 6.16 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.785 1.175 . . . . 0.0 113.735 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.79 84.81 5.54 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.046 0.939 . . . . 0.0 113.226 -154.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.659 0 C-N-CA 126.859 2.064 . . . . 0.0 112.946 166.069 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.483 ' H3 ' ' C ' ' A' ' 105' ' ' ALA . . . . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.791 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.71 149.07 72.96 Favored 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 122.681 2.254 . . . . 0.0 111.994 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -57.59 -42.47 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.254 1.021 . . . . 0.0 111.303 -177.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -73.94 30.92 0.08 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.375 1.87 . . . . 0.0 113.993 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.4 m -79.95 -7.1 58.6 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -44.22 -74.61 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 127.236 2.215 . . . . 0.0 115.586 -161.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -37.06 73.86 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.481 1.112 . . . . 0.0 112.415 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m -65.88 -50.71 63.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.437 1.895 . . . . 0.0 111.216 -177.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -45.64 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 117.647 -1.168 . . . . 0.0 110.336 173.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -52.23 -59.19 4.68 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.918 1.235 . . . . 0.0 112.06 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.34 -55.73 28.19 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.807 1.243 . . . . 0.0 111.013 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -68.08 -32.95 73.64 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -71.42 -38.38 71.4 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.628 174.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.71 98.16 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.374 0.988 . . . . 0.0 112.056 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.6 -46.88 67.18 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.408 1.083 . . . . 0.0 110.577 171.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.8 t -58.58 -56.62 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.984 0.914 . . . . 0.0 111.843 171.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.86 -14.29 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.54 1.936 . . . . 0.0 114.312 -178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -48.02 -42.84 29.17 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.02 1.328 . . . . 0.0 112.786 163.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.5 p -147.77 -12.66 0.38 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.102 1.889 . . . . 0.0 116.102 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.5 130.08 9.6 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.088 1.327 . . . . 0.0 110.925 173.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 139.02 38.7 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 122.371 -0.488 . . . . 0.0 110.624 -171.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -135.63 172.94 12.29 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.681 1.192 . . . . 0.0 113.748 -173.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -143.76 157.56 44.3 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.533 1.933 . . . . 0.0 111.147 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.9 mt -141.47 128.7 20.99 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.734 1.613 . . . . 0.0 112.951 -168.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.4 154.12 26.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.404 1.002 . . . . 0.0 113.311 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -52.96 -58.5 6.74 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.718 1.207 . . . . 0.0 113.926 -161.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -58.0 -42.86 86.06 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.242 0.617 . . . . 0.0 111.994 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -59.95 -50.48 73.58 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 126.565 1.946 . . . . 0.0 112.537 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.266 9.7 t -61.23 -62.66 1.68 Allowed 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 116.315 -1.802 . . . . 0.0 109.162 170.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.2 t -44.72 -50.36 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 121.599 1.999 . . . . 0.0 113.119 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.43 -58.29 6.06 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.863 1.265 . . . . 0.0 111.272 171.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -63.95 -35.67 81.44 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.625 1.57 . . . . 0.0 114.072 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.36 -42.92 78.49 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.719 0.808 . . . . 0.0 110.366 174.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -66.61 -22.87 66.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.996 0.918 . . . . 0.0 112.968 174.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -76.32 -2.98 34.27 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.584 1.153 . . . . 0.0 114.04 164.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.5 -19.39 0.88 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.792 1.663 . . . . 0.0 116.648 171.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -12.41 47.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.482 1.913 . . . . 0.0 114.065 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -59.52 153.28 19.92 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.909 1.284 . . . . 0.0 113.181 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? -138.72 -21.97 0.98 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 173.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -145.8 137.68 25.23 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.566 1.147 . . . . 0.0 109.907 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 pt -114.3 139.06 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.111 1.365 . . . . 0.0 110.943 168.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.3 mm -114.84 130.82 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.761 1.225 . . . . 0.0 108.508 170.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mt -119.47 107.46 21.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.36 80.99 1.4 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.42 1.088 . . . . 0.0 111.582 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.39 175.92 9.75 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.231 1.012 . . . . 0.0 110.915 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -72.04 41.87 0.08 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.052 1.341 . . . . 0.0 111.494 162.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -54.46 110.36 2.09 Favored Pre-proline 0 N--CA 1.469 0.503 0 C-N-CA 126.645 1.978 . . . . 0.0 112.973 -151.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.36 145.81 76.44 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.252 2.635 . . . . 0.0 112.373 171.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.62 -44.54 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.308 1.043 . . . . 0.0 112.101 -175.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.64 -39.83 94.38 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.816 0.735 . . . . 0.0 111.726 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -47.07 68.4 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.358 1.063 . . . . 0.0 110.546 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -61.08 -44.66 97.02 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 118.821 -0.609 . . . . 0.0 109.469 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -56.18 -43.74 78.69 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.512 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.92 -46.31 85.34 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.658 1.117 . . . . 0.0 112.24 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mt -57.64 -45.98 84.76 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 122.173 0.987 . . . . 0.0 113.253 175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.5 -38.45 91.18 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.555 2.342 . . . . 0.0 111.794 175.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -60.14 -45.35 93.34 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.122 1.369 . . . . 0.0 111.179 170.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -68.04 -39.24 83.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.196 0.907 . . . . 0.0 113.253 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.17 -36.98 63.97 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.233 0.924 . . . . 0.0 112.882 169.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.3 ttp -79.52 -37.3 36.91 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.162 2.185 . . . . 0.0 114.422 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 mt -67.56 -54.49 19.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.087 1.355 . . . . 0.0 111.003 174.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.8 p -61.73 -176.18 0.08 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.123 0.569 . . . . 0.0 110.122 158.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.36 87.85 2.83 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.169 -1.582 . . . . 0.0 108.454 172.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.3 m -142.69 137.05 29.61 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.301 1.44 . . . . 0.0 110.321 -156.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.98 150.02 34.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.514 1.126 . . . . 0.0 110.502 175.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -115.94 140.06 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.752 1.221 . . . . 0.0 110.575 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -132.6 139.85 47.98 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.944 0.897 . . . . 0.0 112.983 164.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -104.64 87.66 2.74 Favored 'General case' 0 C--N 1.337 0.065 0 C-N-CA 125.52 1.528 . . . . 0.0 110.75 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -78.99 40.58 0.41 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.338 1.855 . . . . 0.0 108.073 169.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -55.34 138.9 44.58 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 119.875 -1.765 . . . . 0.0 110.709 -164.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -51.45 -19.66 4.6 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 119.117 2.407 . . . . 0.0 119.117 -143.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.82 -10.04 57.57 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.081 1.324 . . . . 0.0 114.367 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -63.28 -172.67 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.939 1.296 . . . . 0.0 111.514 158.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -82.57 -76.26 0.27 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.319 -0.863 . . . . 0.0 112.706 -155.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.97 -38.37 0.05 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 174.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 tp 68.39 -25.02 0.13 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.348 2.659 . . . . 0.0 114.804 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.98 -32.87 56.65 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 119.265 0.939 . . . . 0.0 114.754 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -70.76 -32.16 69.21 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.107 1.453 . . . . 0.0 111.777 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.8 78.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.582 0.753 . . . . 0.0 111.789 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 m -87.08 -19.3 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.289 0.635 . . . . 0.0 112.623 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.34 39.72 12.22 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 124.534 1.064 . . . . 0.0 111.911 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -151.32 95.27 2.13 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 129.536 3.135 . . . . 0.0 105.629 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.8 mt -71.8 53.96 0.25 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.183 1.793 . . . . 0.0 115.671 -156.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -71.29 156.77 39.14 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.975 -1.078 . . . . 0.0 111.95 165.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -93.92 -14.66 25.76 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.889 1.676 . . . . 0.0 113.257 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.9 p -150.7 141.52 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 127.02 2.128 . . . . 0.0 108.403 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 162.36 164.41 17.28 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 122.199 0.889 . . . . 0.0 114.576 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.7 p -104.34 143.16 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.449 1.5 . . . . 0.0 110.893 169.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.406 ' C ' ' HG ' ' A' ' 91' ' ' SER . 32.9 t -129.66 155.11 41.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 126.676 1.99 . . . . 0.0 108.046 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.406 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 14.1 m -146.84 146.15 30.11 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.26 -1.525 . . . . 0.0 111.062 162.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.0 mm -101.9 136.31 34.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 126.331 1.852 . . . . 0.0 108.411 174.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.47 -95.74 0.42 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.62 1.968 . . . . 0.0 109.682 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -81.93 79.89 8.35 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.754 1.622 . . . . 0.0 109.146 -173.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.35 51.79 0.07 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.107 2.563 . . . . 0.0 114.735 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.05 32.51 0.41 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.794 1.188 . . . . 0.0 114.547 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -142.1 -95.08 0.13 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.569 1.148 . . . . 0.0 111.939 -168.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.0 t -109.84 152.43 25.77 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 123.928 1.823 . . . . 0.0 114.255 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -54.61 4.53 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.816 1 C-N-CA 135.319 5.448 . . . . 0.0 117.921 170.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.5 tt -51.16 -39.61 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 121.513 1.96 . . . . 0.0 112.628 -170.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -26.63 17.61 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.961 2.904 . . . . 0.0 116.456 171.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.1 t -108.63 -14.73 14.57 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.5 p -106.74 -26.46 11.29 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 120.654 1.57 . . . . 0.0 114.903 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.0 58.99 2.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.467 1.507 . . . . 0.0 109.049 167.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.483 ' C ' ' H3 ' ' A' ' 2' ' ' ALA . . . . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.465 1.906 . . . . 0.0 110.935 -175.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 117.392 -1.289 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -52.79 129.39 32.47 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.13 2.553 . . . . 0.0 113.315 -176.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.5 p -52.58 -38.88 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.851 1.261 . . . . 0.0 114.105 -168.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.54 0.67 57.48 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 176.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 m -90.32 -40.4 12.14 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.385 0.993 . . . . 0.0 110.789 163.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.78 -54.76 4.92 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 127.332 2.253 . . . . 0.0 114.298 -173.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.26 -33.15 63.2 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.112 0.869 . . . . 0.0 112.182 -176.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -70.66 -45.7 64.62 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 125.502 1.521 . . . . 0.0 111.37 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -53.46 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 118.985 -0.531 . . . . 0.0 109.658 169.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -56.65 -52.91 63.07 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.355 1.062 . . . . 0.0 111.61 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -56.99 -56.28 23.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.833 1.253 . . . . 0.0 112.016 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HZ3' ' CG ' ' A' ' 99' ' ' ASP . 31.1 ttpt -67.92 -31.39 71.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.779 0.718 . . . . 0.0 112.002 -176.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 tt -68.96 -39.04 79.73 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.34 -0.85 . . . . 0.0 111.794 173.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.54 -46.42 90.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.675 1.125 . . . . 0.0 111.613 170.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.39 -34.35 64.27 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.788 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.2 t -70.98 -58.73 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.888 1.222 . . . . 0.0 111.614 168.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -48.35 -30.71 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.323 1.849 . . . . 0.0 114.004 -176.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -58.01 -19.82 33.95 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 p -142.15 -24.87 0.67 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 167.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.9 146.12 27.91 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.882 1.23 . . . . 0.0 112.888 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.4 119.91 23.08 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.869 0.868 . . . . 0.0 111.209 -171.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -120.59 171.53 8.5 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.81 1.644 . . . . 0.0 113.167 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -143.34 152.23 41.39 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.73 2.012 . . . . 0.0 110.378 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.3 mt -139.06 125.83 20.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.026 1.33 . . . . 0.0 113.97 -165.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.99 152.45 24.06 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.632 1.111 . . . . 0.0 113.097 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -50.39 -59.74 3.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.877 1.271 . . . . 0.0 113.019 -164.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -52.35 -47.97 65.78 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.34 1.056 . . . . 0.0 112.254 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.95 -56.51 21.27 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.964 1.706 . . . . 0.0 111.847 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -59.35 -55.86 29.44 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.457 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.5 t -50.04 -46.31 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 121.719 2.054 . . . . 0.0 112.966 -179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -56.11 -52.49 64.13 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.026 0.83 . . . . 0.0 112.178 170.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 m -58.24 -43.4 87.76 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.064 1.746 . . . . 0.0 113.134 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.1 mt -70.7 -41.43 71.96 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.45 1.5 . . . . 0.0 110.921 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -62.8 -28.05 69.73 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.847 0.748 . . . . 0.0 112.534 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.76 4.47 11.61 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.166 1.387 . . . . 0.0 114.167 166.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.04 -32.37 1.51 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.223 1.868 . . . . 0.0 116.584 162.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -74.94 15.44 0.39 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -167.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.6 p -75.66 164.69 26.03 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.873 -1.142 . . . . 0.0 112.431 172.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -132.54 -22.77 2.14 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 158.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.15 134.61 29.83 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.04 0.837 . . . . 0.0 110.738 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.6 pt -113.01 137.89 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.673 1.189 . . . . 0.0 111.077 167.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.8 mm -108.06 129.87 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 C-N-CA 124.982 1.313 . . . . 0.0 107.772 169.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.0 mt -118.1 97.93 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 172.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.85 53.33 0.7 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.839 1.656 . . . . 0.0 110.509 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.8 155.18 39.65 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.637 -0.665 . . . . 0.0 111.915 -174.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -61.69 62.93 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 129.571 3.149 . . . . 0.0 113.251 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.5 m -94.36 115.1 64.86 Favored Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 125.545 1.538 . . . . 0.0 111.56 -157.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.48 152.71 25.57 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.283 2.655 . . . . 0.0 113.578 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.27 -41.53 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.918 0.887 . . . . 0.0 112.597 -173.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.4 -19.03 63.04 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.195 -0.941 . . . . 0.0 112.547 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -43.6 9.91 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.403 1.081 . . . . 0.0 110.11 -178.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -42.82 95.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 119.139 -0.457 . . . . 0.0 110.821 167.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.7 m -60.45 -43.81 96.47 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.33 -0.843 . . . . 0.0 112.583 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -63.56 -42.59 98.35 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 120.071 1.305 . . . . 0.0 112.811 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.8 -44.72 96.48 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.242 -0.911 . . . . 0.0 113.361 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -62.75 -36.41 82.97 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 125.602 1.561 . . . . 0.0 112.237 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -62.5 -46.79 86.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.399 1.08 . . . . 0.0 111.459 169.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -62.69 -43.44 98.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.481 1.037 . . . . 0.0 112.328 173.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.41 -47.0 69.95 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.095 0.861 . . . . 0.0 112.133 171.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.9 ttp -59.59 -37.13 77.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.158 1.383 . . . . 0.0 112.698 173.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.45 -65.54 0.67 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.701 1.137 . . . . 0.0 111.425 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.7 p -77.33 53.71 1.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.434 1.894 . . . . 0.0 113.19 -169.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -31.92 96.43 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.12 1.768 . . . . 0.0 112.837 -136.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -137.26 148.33 46.36 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.968 2.507 . . . . 0.0 111.26 -161.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -87.09 150.33 24.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.812 1.245 . . . . 0.0 111.544 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.84 137.08 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.827 1.651 . . . . 0.0 110.661 173.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -128.34 112.98 15.03 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.574 1.15 . . . . 0.0 111.716 167.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -79.94 85.86 5.51 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.901 1.28 . . . . 0.0 111.536 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.86 41.97 0.6 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.112 1.365 . . . . 0.0 110.986 177.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -68.71 92.12 0.46 Allowed 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.994 -1.066 . . . . 0.0 108.939 170.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.35 -117.24 0.73 Allowed Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.059 1.314 . . . . 0.0 110.974 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.38 -72.11 2.89 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 129.415 3.388 . . . . 0.0 110.664 9.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.639 ' ND2' HH22 ' A' ' 86' ' ' ARG . 0.4 OUTLIER 47.55 39.71 10.16 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.004 2.522 . . . . 0.0 114.205 173.245 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -152.3 -33.73 0.13 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.71 2.004 . . . . 0.0 112.673 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -55.53 -26.48 43.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.341 2.657 . . . . 0.0 114.136 -173.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.06 -15.21 12.55 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.106 2.162 . . . . 0.0 113.166 173.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.62 -32.62 32.29 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 124.961 1.267 . . . . 0.0 112.614 168.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.3 m -56.76 -31.75 64.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.469 1.908 . . . . 0.0 112.504 173.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -90.27 -50.74 5.8 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 124.242 1.017 . . . . 0.0 112.751 175.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.5 m -80.42 -29.73 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -170.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.65 40.05 77.73 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-N 119.198 0.908 . . . . 0.0 114.408 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -141.67 171.9 13.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.843 2.457 . . . . 0.0 108.997 169.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.58 11.27 10.55 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -167.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -54.99 -13.76 1.23 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 118.135 2.643 . . . . 0.0 118.135 -170.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.639 HH22 ' ND2' ' A' ' 74' ' ' ASN . 46.1 tpt85 150.1 -39.02 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 1 C-N-CA 133.658 4.783 . . . . 0.0 109.809 -178.545 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t 55.82 54.13 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 124.704 1.202 . . . . 0.0 113.133 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.98 -179.18 17.1 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 130.204 3.764 . . . . 0.0 113.522 5.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 p -93.69 136.2 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 121.872 -0.781 . . . . 0.0 110.737 170.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.414 ' C ' ' HG ' ' A' ' 91' ' ' SER . 41.4 t -130.72 156.8 42.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 127.04 2.136 . . . . 0.0 107.588 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 90' ' ' VAL . 7.2 m -147.95 157.33 43.46 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 119.825 -1.797 . . . . 0.0 111.099 165.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -122.81 132.24 71.69 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 C-N-CA 126.293 1.837 . . . . 0.0 109.256 -174.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mp -114.51 -65.18 1.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.923 2.089 . . . . 0.0 111.78 -170.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.06 85.67 2.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.84 0.856 . . . . 0.0 109.77 -172.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.45 85.38 2.56 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 122.063 -0.398 . . . . 0.0 110.878 171.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.53 36.95 0.46 Allowed Glycine 0 CA--C 1.538 1.531 0 O-C-N 121.576 -0.703 . . . . 0.0 112.154 160.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -160.13 -154.81 0.41 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.893 1.677 . . . . 0.0 108.666 -155.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -54.64 148.88 11.71 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 124.596 2.141 . . . . 0.0 113.918 171.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.406 ' CG ' ' HZ3' ' A' ' 13' ' ' LYS . 11.2 p-10 -53.09 -4.12 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.723 1 C-N-CA 134.026 4.93 . . . . 0.0 117.636 174.736 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 8.5 tt -55.66 -32.43 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.306 1.412 . . . . 0.0 113.331 -164.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.262 1.1 pt? -66.46 -14.11 61.75 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.6 t -107.97 -50.08 3.11 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.281 1.032 . . . . 0.0 112.793 161.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.82 81.56 1.58 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.46 1.104 . . . . 0.0 112.591 -174.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.6 tt -103.45 -55.82 2.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.568 1.947 . . . . 0.0 111.511 169.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.245 0 C-N-CA 131.699 3.999 . . . . 0.0 112.74 -7.595 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -42.62 49.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 119.554 1.07 . . . . 0.0 109.629 159.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -54.46 -49.93 68.91 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.474 1.51 . . . . 0.0 111.749 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -57.83 -53.66 55.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.5 1.12 . . . . 0.0 111.112 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 56.7 tttp -64.79 -36.69 85.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.076 0.55 . . . . 0.0 112.364 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.07 -38.77 72.45 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.084 0.954 . . . . 0.0 112.429 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.76 -43.26 89.41 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.805 1.184 . . . . 0.0 111.536 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -51.63 -42.32 61.94 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.813 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 t -64.51 -59.0 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.698 1.199 . . . . 0.0 112.969 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -54.49 -19.7 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.693 1.997 . . . . 0.0 113.693 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -47.13 -35.23 6.91 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.892 1.677 . . . . 0.0 113.462 165.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.5 p -150.36 -16.46 0.24 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.36 152.22 35.68 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.884 1.23 . . . . 0.0 111.905 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -94.51 138.06 32.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.836 0.827 . . . . 0.0 113.15 -163.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -141.16 174.33 10.64 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.4 1.48 . . . . 0.0 113.627 -170.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -146.6 150.77 36.13 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.536 1.935 . . . . 0.0 110.723 173.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.9 mt -136.29 126.08 25.67 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.368 1.467 . . . . 0.0 114.248 -164.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.89 147.67 11.74 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 123.707 0.67 . . . . 0.0 112.599 177.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.484 ' CE2' HD21 ' A' ' 56' ' ' LEU . 40.7 t80 -44.82 -59.2 2.65 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.291 1.436 . . . . 0.0 113.112 -163.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -56.46 -39.68 73.59 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -71.02 -46.05 62.85 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 125.541 1.536 . . . . 0.0 112.523 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.255 5.2 t -60.15 -61.33 2.69 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 117.683 -1.151 . . . . 0.0 108.994 168.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' A' ' 27' ' ' TYR . 59.5 t -47.71 -45.69 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 120.174 1.352 . . . . 0.0 113.104 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -45.41 -69.62 0.13 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.783 1.233 . . . . 0.0 111.489 166.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.0 m -77.01 -15.15 59.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -171.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 HG22 ' A' ' 42' ' ' ILE . 48.9 mt -69.51 -42.83 74.21 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.078 0.854 . . . . 0.0 111.06 162.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -71.49 -20.13 62.11 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.793 0.724 . . . . 0.0 112.852 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -71.37 -6.9 43.57 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 160.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.87 3.92 81.35 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.283 1.42 . . . . 0.0 115.264 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -94.32 -4.39 48.75 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -153.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 p -83.52 161.16 21.32 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.614 1.565 . . . . 0.0 113.824 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -123.24 -16.12 7.02 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.947 1.299 . . . . 0.0 113.567 163.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -144.78 136.85 25.98 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 118.995 0.816 . . . . 0.0 111.207 173.758 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.604 HG23 HG21 ' A' ' 65' ' ' THR . 25.0 pt -111.33 135.69 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.045 1.338 . . . . 0.0 111.054 165.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.548 HG21 HD22 ' A' ' 77' ' ' LEU . 36.8 mm -102.1 132.19 48.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 167.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -124.21 91.62 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 170.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -91.05 70.79 6.34 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.97 0.89 . . . . 0.0 111.513 175.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.6 148.5 16.15 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.718 2.007 . . . . 0.0 109.255 167.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -71.95 70.88 0.78 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.489 1.138 . . . . 0.0 110.747 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.7 m -78.13 130.47 72.28 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 127.261 2.224 . . . . 0.0 111.384 -156.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.61 152.86 77.63 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.553 2.169 . . . . 0.0 112.216 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.1 t -51.84 -46.6 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.631 1.572 . . . . 0.0 113.124 -165.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.97 -26.55 65.1 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -40.7 11.57 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.413 -0.805 . . . . 0.0 110.201 -176.539 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -49.01 79.08 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 168.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 m -63.5 -36.96 85.48 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 117.602 -1.189 . . . . 0.0 112.967 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.25 -43.32 95.22 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.661 1.573 . . . . 0.0 112.498 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 27' ' ' TYR . 6.1 mt -59.67 -43.94 93.8 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.106 0.866 . . . . 0.0 113.099 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.08 -40.36 93.4 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.72 2.008 . . . . 0.0 111.837 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -61.44 -46.49 89.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.102 1.361 . . . . 0.0 111.403 172.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -66.41 -36.71 83.51 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.114 -0.991 . . . . 0.0 112.935 173.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.97 -35.68 71.51 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.812 0.845 . . . . 0.0 113.039 170.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.7 ttp -78.31 -34.83 48.44 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.003 2.121 . . . . 0.0 114.031 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.93 -53.18 22.35 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.907 1.283 . . . . 0.0 111.35 173.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.5 p -62.29 -174.11 0.05 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.906 0.883 . . . . 0.0 110.309 156.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -121.82 75.75 1.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 O-C-N 119.529 -1.982 . . . . 0.0 109.573 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.604 HG21 HG23 ' A' ' 42' ' ' ILE . 86.5 m -132.54 133.56 43.88 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 114.434 -1.257 . . . . 0.0 111.222 -155.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -79.67 149.93 31.08 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.239 0.615 . . . . 0.0 110.937 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -113.2 128.86 69.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.539 1.136 . . . . 0.0 110.199 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -125.04 103.73 8.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.465 1.106 . . . . 0.0 111.062 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -79.49 87.97 5.08 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.877 1.271 . . . . 0.0 111.188 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.446 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 125.307 1.443 . . . . 0.0 108.68 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.548 HD22 HG21 ' A' ' 43' ' ' ILE . 14.8 tp . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.51 -17.35 19.16 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 121.595 -0.691 . . . . 0.0 113.923 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -63.96 -38.65 91.86 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.687 1.195 . . . . 0.0 111.835 169.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.06 -26.14 59.15 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.758 1.223 . . . . 0.0 114.067 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -164.649 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 121.308 0.575 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.5 t -135.83 158.46 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.824 1.649 . . . . 0.0 108.432 -172.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m -146.93 151.41 36.98 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 119.753 -1.842 . . . . 0.0 110.634 166.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.4 mm -123.22 133.51 68.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 C-N-CA 125.771 1.628 . . . . 0.0 109.588 -172.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 mp -115.57 -106.89 0.38 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.355 2.662 . . . . 0.0 108.517 -169.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.54 82.09 3.23 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.831 -1.168 . . . . 0.0 110.698 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 51.99 0.07 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.066 1.746 . . . . 0.0 113.285 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.49 47.68 1.16 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.633 1.587 . . . . 0.0 113.972 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -144.51 -83.99 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.713 1.605 . . . . 0.0 110.171 -174.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -108.38 155.16 20.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 123.355 1.55 . . . . 0.0 111.914 163.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -52.41 -1.1 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 1 C-N-CA 135.128 5.371 . . . . 0.0 117.586 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.416 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 13.8 tt -45.25 -49.2 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 120.087 1.312 . . . . 0.0 114.369 -157.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -173.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 118.736 -0.65 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -48.35 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.419 177.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.96 -59.42 5.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.172 0.989 . . . . 0.0 110.228 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -63.46 -47.06 83.41 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -63.34 -34.85 78.6 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.652 -0.655 . . . . 0.0 111.892 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.25 -44.59 79.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.422 -0.799 . . . . 0.0 111.185 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.68 90.82 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.508 1.049 . . . . 0.0 112.076 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tt -54.47 -50.28 68.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.647 1.579 . . . . 0.0 111.125 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -55.97 -48.95 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.089 0.956 . . . . 0.0 112.404 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mt -54.72 -20.46 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 125.398 1.479 . . . . 0.0 113.762 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -57.0 -30.43 64.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.554 1.525 . . . . 0.0 113.363 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.9 p -150.85 -4.99 0.3 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -175.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.32 165.53 34.2 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.636 1.112 . . . . 0.0 113.535 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -93.8 112.9 24.84 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.754 1.222 . . . . 0.0 110.779 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -128.16 174.69 9.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.751 1.22 . . . . 0.0 113.802 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -148.05 148.92 31.2 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.286 1.835 . . . . 0.0 110.762 174.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -137.56 129.89 29.43 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.603 1.561 . . . . 0.0 113.766 -166.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.72 149.23 24.46 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.773 0.701 . . . . 0.0 111.791 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 35.2 t80 -57.01 -53.41 58.38 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -163.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -54.0 -46.89 71.88 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.396 1.078 . . . . 0.0 111.372 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -58.65 -53.18 61.3 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.73 1.612 . . . . 0.0 112.074 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.268 7.7 t -60.52 -56.59 19.55 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 116.734 -1.603 . . . . 0.0 110.185 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.4 t -48.25 -51.5 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 121.602 2.001 . . . . 0.0 112.755 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -49.93 -57.74 6.86 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.046 1.338 . . . . 0.0 111.19 171.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 m -61.78 -44.23 97.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.836 1.254 . . . . 0.0 112.757 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.5 mt -65.13 -39.64 93.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.533 1.133 . . . . 0.0 111.373 176.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -66.11 -35.62 80.99 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.795 0.838 . . . . 0.0 112.63 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -73.29 -40.85 64.22 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.71 -171.85 38.55 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 117.159 1.623 . . . . 0.0 117.159 -169.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.47 89.66 0.15 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.265 1.826 . . . . 0.0 112.934 -171.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -64.18 171.95 2.72 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.276 -0.89 . . . . 0.0 111.213 150.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -134.66 -24.02 1.56 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 164.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -143.68 129.81 19.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.138 1.775 . . . . 0.0 108.75 178.331 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.697 HG23 HG21 ' A' ' 65' ' ' THR . 13.0 pt -113.12 150.49 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.738 0.699 . . . . 0.0 111.364 166.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.605 HD11 HD11 ' A' ' 41' ' ' LEU . 17.5 mm -120.54 135.07 61.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 124.769 1.227 . . . . 0.0 109.694 175.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.11 92.2 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.636 0.732 . . . . 0.0 109.066 164.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -109.36 55.24 0.64 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.359 2.263 . . . . 0.0 109.275 165.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.5 159.54 43.95 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.768 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -66.54 55.74 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 129.375 3.07 . . . . 0.0 112.446 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.3 m -105.49 101.5 32.2 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 129.629 3.172 . . . . 0.0 109.876 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.31 174.13 12.61 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.586 2.858 . . . . 0.0 114.227 -168.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.2 t -51.8 -44.99 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 126.225 1.81 . . . . 0.0 114.744 -164.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.95 -39.27 72.71 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.715 1.143 . . . . 0.0 111.732 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -68.11 -46.76 70.01 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 127.203 2.201 . . . . 0.0 111.583 -175.903 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -57.04 -45.05 83.45 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -75.56 -25.15 56.86 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 122.824 0.45 . . . . 0.0 111.756 -168.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.45 -49.91 73.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.818 160.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.45 -44.66 76.6 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 120.424 1.466 . . . . 0.0 112.868 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.74 -47.26 77.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.682 2.393 . . . . 0.0 111.035 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.5 -49.85 75.93 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.003 1.321 . . . . 0.0 112.204 172.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -62.94 -40.79 98.73 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.195 -0.941 . . . . 0.0 112.089 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.83 91.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.009 0.924 . . . . 0.0 112.679 170.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -57.87 -38.44 75.72 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.785 0.834 . . . . 0.0 111.982 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.11 -68.22 0.38 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.77 1.168 . . . . 0.0 111.645 170.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.4 p -77.18 66.76 3.03 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.323 1.449 . . . . 0.0 111.578 -175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -33.91 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.535 2.334 . . . . 0.0 114.834 -146.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.697 HG21 HG23 ' A' ' 42' ' ' ILE . 3.5 m -134.57 147.28 50.23 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.418 1.887 . . . . 0.0 111.95 -165.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.13 153.62 21.38 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.375 0.67 . . . . 0.0 111.203 172.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.37 96.69 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 125.753 1.621 . . . . 0.0 109.96 -171.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.412 ' HB3' HD13 ' A' ' 43' ' ' ILE . 41.9 t80 -83.36 102.37 11.96 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.772 0.796 . . . . 0.0 110.435 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -79.03 122.8 26.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.784 0.802 . . . . 0.0 111.576 173.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.438 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.9 OUTLIER . . . . . 0 CA--C 1.547 0.852 0 C-N-CA 128.408 2.683 . . . . 0.0 107.932 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.583 HD22 HG21 ' A' ' 43' ' ' ILE . 36.5 tp . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.55 -40.09 23.83 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 118.185 -1.342 . . . . 0.0 112.569 161.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.3 m -55.15 -31.43 61.31 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.25 2.025 . . . . 0.0 112.804 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.0 -65.67 0.74 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.977 0.808 . . . . 0.0 111.583 162.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -154.715 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 121.57 0.7 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.2 t -134.48 156.94 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.665 1.186 . . . . 0.0 109.466 -164.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.8 m -147.47 148.82 31.65 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 120.541 -1.35 . . . . 0.0 110.935 163.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.0 mm -120.87 132.51 70.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 125.853 1.661 . . . . 0.0 108.722 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.92 -58.37 2.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.256 1.822 . . . . 0.0 110.033 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -131.63 113.34 13.48 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.051 1.741 . . . . 0.0 109.084 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.89 73.04 1.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.581 0.752 . . . . 0.0 111.874 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.5 44.96 0.36 Allowed Glycine 0 CA--C 1.535 1.326 0 C-N-CA 126.66 2.076 . . . . 0.0 115.303 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -158.24 -81.87 0.06 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.205 1.402 . . . . 0.0 111.232 164.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -107.95 163.31 13.24 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.39 1.476 . . . . 0.0 113.288 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -64.77 12.22 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.811 2.844 . . . . 0.0 117.495 -162.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.8 tt -49.59 -43.5 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 120.003 1.274 . . . . 0.0 114.28 -157.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.251 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -50.53 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 118.935 0.789 . . . . 0.0 108.959 169.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -55.94 9.79 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.731 1.612 . . . . 0.0 111.929 170.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.87 -47.39 85.21 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.178 0.991 . . . . 0.0 112.541 -177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.94 -40.86 98.94 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.572 0.749 . . . . 0.0 111.38 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.9 -39.73 94.87 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.736 0.815 . . . . 0.0 111.846 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.635 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -61.98 -48.52 79.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.552 1.069 . . . . 0.0 112.016 172.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -53.67 -43.79 69.15 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 124.674 1.19 . . . . 0.0 110.461 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -59.92 -57.56 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.276 1.03 . . . . 0.0 112.416 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mt -50.74 -29.37 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.317 1.847 . . . . 0.0 113.5 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -21.86 7.17 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 171.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 p -151.52 -14.04 0.2 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 163.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.35 157.83 43.03 Favored Glycine 0 CA--C 1.534 1.276 0 CA-C-N 119.949 1.25 . . . . 0.0 113.193 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -79.36 110.42 14.63 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.887 -0.773 . . . . 0.0 111.879 -171.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -118.41 173.34 6.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.07 1.348 . . . . 0.0 113.84 174.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -146.0 163.37 35.41 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.783 2.033 . . . . 0.0 110.954 171.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.9 mt -143.64 145.63 32.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.773 2.029 . . . . 0.0 111.716 -170.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.51 159.4 35.39 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.122 1.344 . . . . 0.0 113.013 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' CE1' HD21 ' A' ' 56' ' ' LEU . 79.4 t80 -65.6 -80.41 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -164.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -20.95 66.42 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.33 -1.481 . . . . 0.0 111.887 178.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.6 t -55.23 -56.34 21.09 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 127.133 2.173 . . . . 0.0 112.896 167.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 t -62.51 -45.58 92.36 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 116.723 -1.608 . . . . 0.0 110.535 172.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' CD2' ' A' ' 59' ' ' TYR . 93.6 t -47.49 -55.59 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 121.973 2.17 . . . . 0.0 112.672 176.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -50.64 58.7 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.624 1.97 . . . . 0.0 111.198 172.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -65.21 -41.14 94.76 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.918 1.287 . . . . 0.0 113.579 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.22 -29.87 71.12 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.668 1.987 . . . . 0.0 111.155 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -43.01 36.09 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.152 1.381 . . . . 0.0 112.825 170.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -63.6 -41.84 98.3 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.76 168.89 21.66 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.05 1.18 . . . . 0.0 116.05 -163.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -69.07 71.5 0.24 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.41 2.284 . . . . 0.0 112.077 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.5 p -62.12 152.29 33.31 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -142.18 -26.29 0.65 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 169.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -145.31 123.52 12.21 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.24 0.927 . . . . 0.0 109.907 -179.17 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.3 pt -106.05 144.78 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 118.748 0.704 . . . . 0.0 111.051 168.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.525 HD11 HD11 ' A' ' 41' ' ' LEU . 25.5 mm -110.65 134.47 52.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 125.118 1.367 . . . . 0.0 108.608 172.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mt -123.89 90.72 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.33 51.21 0.82 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.355 2.262 . . . . 0.0 110.416 172.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.78 168.37 19.83 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.335 1.454 . . . . 0.0 111.447 -172.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -68.37 55.22 0.08 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.782 2.033 . . . . 0.0 113.804 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.3 m -98.98 108.51 49.68 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 125.566 1.546 . . . . 0.0 112.026 -162.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -77.99 174.2 12.86 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.809 3.006 . . . . 0.0 112.573 172.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.4 t -53.02 -46.78 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.997 1.719 . . . . 0.0 113.451 -172.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.37 -44.96 89.75 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.259 0.936 . . . . 0.0 111.702 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -64.68 -45.52 86.33 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.612 1.165 . . . . 0.0 111.16 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -62.69 -43.07 99.74 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.244 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -56.72 -40.18 75.22 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.117 0.967 . . . . 0.0 111.893 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -55.61 32.27 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.885 0.766 . . . . 0.0 111.106 171.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.429 HD21 ' CE1' ' A' ' 27' ' ' TYR . 5.4 mt -57.78 -43.15 85.35 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.167 0.984 . . . . 0.0 112.992 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -62.44 -35.47 79.35 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 128.029 2.532 . . . . 0.0 112.208 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.19 -48.5 78.09 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.154 0.888 . . . . 0.0 111.596 168.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' CD2' HG22 ' A' ' 31' ' ' VAL . 39.0 m-85 -66.48 -30.63 71.01 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.154 -0.966 . . . . 0.0 113.348 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.73 71.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.966 1.306 . . . . 0.0 112.174 165.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -56.11 -41.61 75.51 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.808 1.243 . . . . 0.0 112.413 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.66 -78.75 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.328 1.051 . . . . 0.0 112.466 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 p -80.4 78.16 7.12 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.034 1.334 . . . . 0.0 109.374 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -35.34 100.39 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.326 2.25 . . . . 0.0 113.131 -152.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -137.25 146.05 44.31 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.689 2.396 . . . . 0.0 109.732 -165.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -87.41 155.01 20.22 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.286 0.493 . . . . 0.0 111.114 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.03 107.92 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 126.081 1.752 . . . . 0.0 110.157 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -95.83 101.69 13.4 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.888 0.851 . . . . 0.0 110.795 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -77.95 108.76 11.44 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.375 1.07 . . . . 0.0 110.613 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 CA--C 1.55 0.975 0 C-N-CA 126.196 1.798 . . . . 0.0 110.372 -176.605 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 tp . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.76 -24.9 34.68 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.163 -0.798 . . . . 0.0 113.561 167.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 m -64.2 -47.72 78.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.172 1.389 . . . . 0.0 111.005 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.635 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -68.14 -39.54 82.65 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 121.827 0.823 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.9 t -135.66 157.41 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 126.001 1.721 . . . . 0.0 107.621 -172.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 m -150.94 152.64 33.88 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 119.85 -1.781 . . . . 0.0 111.205 167.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.8 mm -121.66 134.37 65.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 126.298 1.839 . . . . 0.0 108.724 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.38 -67.78 0.96 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.524 1.53 . . . . 0.0 109.216 -173.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -123.93 89.46 3.09 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.204 1.002 . . . . 0.0 110.163 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.75 65.11 0.69 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.732 0.813 . . . . 0.0 111.767 171.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.36 43.98 0.9 Allowed Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.01 1.29 . . . . 0.0 112.983 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -145.6 -84.37 0.13 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.475 1.51 . . . . 0.0 110.072 -167.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 t -107.79 152.52 24.26 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 123.767 1.746 . . . . 0.0 111.519 160.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -52.23 11.78 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.824 1 C-N-CA 135.897 5.679 . . . . 0.0 117.319 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 tt -52.02 -52.68 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 121.171 1.805 . . . . 0.0 112.916 -169.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.313 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 175.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 CA--C 1.531 0.22 0 N-CA-C 110.911 -0.033 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -46.63 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.242 169.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -52.5 -55.14 24.12 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 120.055 1.298 . . . . 0.0 111.017 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -52.77 -61.62 2.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.857 0.863 . . . . 0.0 111.444 177.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -66.05 -37.04 84.83 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.98 -38.95 76.18 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.186 -0.912 . . . . 0.0 112.002 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.34 89.79 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.104 1.32 . . . . 0.0 112.068 172.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.35 -43.04 64.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.543 1.137 . . . . 0.0 110.841 171.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -63.55 -57.95 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.172 0.989 . . . . 0.0 112.838 169.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.5 mt -51.5 -31.4 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.43 1.492 . . . . 0.0 113.139 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -16.7 4.88 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.44 1.496 . . . . 0.0 114.435 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.3 p -148.82 -14.34 0.32 Allowed 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 164.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.47 170.78 39.18 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.465 1.507 . . . . 0.0 114.827 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.07 112.15 23.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.78 1.232 . . . . 0.0 111.346 -174.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -123.34 172.17 8.86 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.657 1.583 . . . . 0.0 113.618 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 t -142.77 156.97 45.07 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.49 1.916 . . . . 0.0 110.875 171.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.6 mt -141.06 130.81 24.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.069 1.748 . . . . 0.0 113.255 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.98 151.16 21.63 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.609 1.099 . . . . 0.0 113.032 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CE1' HD21 ' A' ' 56' ' ' LEU . 24.6 t80 -50.64 -57.5 8.08 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.842 1.257 . . . . 0.0 113.53 -162.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -55.58 -47.03 77.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.041 0.937 . . . . 0.0 112.101 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -60.5 -47.4 86.32 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 127.138 2.175 . . . . 0.0 112.845 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -66.0 -58.47 5.44 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 116.72 -1.61 . . . . 0.0 109.203 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -46.86 -49.75 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.561 1.982 . . . . 0.0 113.147 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -44.12 -65.11 0.55 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.516 1.527 . . . . 0.0 111.332 166.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -70.04 -27.2 64.46 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.146 1.378 . . . . 0.0 113.681 -169.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 mt -75.02 -38.78 61.42 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.393 1.077 . . . . 0.0 111.422 171.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -68.17 -20.83 64.9 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.668 0.667 . . . . 0.0 112.445 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -75.12 3.41 8.65 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.12 1.368 . . . . 0.0 113.849 161.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.9 -48.49 3.9 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.764 1.65 . . . . 0.0 115.725 160.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -78.98 20.39 0.48 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -164.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.8 p -70.68 162.58 28.76 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.594 1.088 . . . . 0.0 111.636 167.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -130.76 -14.71 3.55 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 164.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.528 HD11 ' CD1' ' A' ' 43' ' ' ILE . 2.6 tm? -139.23 130.45 26.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.661 1.119 . . . . 0.0 110.748 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.616 HG23 HG21 ' A' ' 65' ' ' THR . 14.6 pt -114.93 138.59 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.022 0.929 . . . . 0.0 111.182 161.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CD1' HD11 ' A' ' 41' ' ' LEU . 23.9 mm -111.63 139.84 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 124.273 1.029 . . . . 0.0 108.466 167.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 mt -122.67 94.04 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.21 58.86 3.37 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 123.594 1.664 . . . . 0.0 110.866 169.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.93 140.29 32.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.888 1.275 . . . . 0.0 110.826 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -73.04 72.98 1.17 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.341 1.856 . . . . 0.0 108.4 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.8 m -91.23 117.89 68.15 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 124.775 1.23 . . . . 0.0 112.383 -149.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.34 148.53 41.45 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.405 2.737 . . . . 0.0 113.301 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.9 -45.32 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.624 1.17 . . . . 0.0 112.472 -173.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.65 -39.67 94.11 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.864 0.756 . . . . 0.0 112.127 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -46.89 72.72 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.825 1.25 . . . . 0.0 110.202 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -62.66 -44.65 95.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.413 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.6 m -56.33 -41.26 75.77 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 123.975 0.91 . . . . 0.0 111.62 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -64.06 -47.6 79.51 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.271 0.941 . . . . 0.0 112.162 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.421 HD21 ' CE1' ' A' ' 27' ' ' TYR . 5.8 mt -58.6 -44.32 89.82 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.836 0.827 . . . . 0.0 112.986 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -63.74 -38.1 89.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.815 2.446 . . . . 0.0 111.793 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -62.54 -47.21 84.89 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.671 1.188 . . . . 0.0 111.448 169.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -66.47 -34.86 78.88 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.145 -0.972 . . . . 0.0 112.898 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.72 67.79 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 119.061 0.846 . . . . 0.0 113.151 168.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -81.66 -35.13 30.29 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.702 2.001 . . . . 0.0 114.03 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.08 -51.86 34.41 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.528 1.058 . . . . 0.0 111.549 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.6 p -61.73 -174.94 0.05 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.162 0.585 . . . . 0.0 110.241 156.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -121.99 75.98 1.26 Allowed 'General case' 0 N--CA 1.474 0.734 0 O-C-N 119.767 -1.833 . . . . 0.0 109.456 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.616 HG21 HG23 ' A' ' 42' ' ' ILE . 90.7 m -131.78 139.28 48.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.449 -154.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -78.78 143.16 36.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.467 1.107 . . . . 0.0 110.637 170.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.64 129.02 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.179 1.392 . . . . 0.0 110.013 172.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -123.69 106.02 10.18 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.738 1.215 . . . . 0.0 110.918 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -78.71 82.54 4.93 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.754 1.222 . . . . 0.0 111.268 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 CA--C 1.52 -0.197 0 C-N-CA 123.514 0.726 . . . . 0.0 111.653 -167.128 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.421 HD22 HG21 ' A' ' 43' ' ' ILE . 35.1 tp . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.77 -31.67 2.75 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.739 1.161 . . . . 0.0 113.827 163.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -56.71 -52.25 65.66 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.431 1.492 . . . . 0.0 111.419 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.56 -38.68 80.95 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -172.245 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.637 0.732 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.86 155.43 41.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 126.758 2.023 . . . . 0.0 107.804 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.9 m -148.25 151.41 35.4 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 120.133 -1.604 . . . . 0.0 111.056 164.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.403 HG12 HD12 ' A' ' 41' ' ' LEU . 16.2 mm -121.1 137.07 56.01 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 C-N-CA 125.763 1.625 . . . . 0.0 110.008 -178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mp -119.96 -41.58 2.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.424 1.89 . . . . 0.0 112.655 -170.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.8 100.64 4.37 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.337 1.055 . . . . 0.0 109.456 169.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.591 ' HB3' HD22 ' A' ' 101' ' ' LEU . . . -75.09 66.85 1.69 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.456 0.646 . . . . 0.0 111.269 173.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.21 27.5 0.32 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.416 1.484 . . . . 0.0 115.894 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -137.86 -78.3 0.37 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.028 1.414 . . . . 0.0 110.091 -170.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -108.68 163.42 13.26 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 123.073 1.416 . . . . 0.0 111.953 159.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -52.44 7.2 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.919 1 C-N-CA 134.448 5.099 . . . . 0.0 118.57 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.7 tt -50.83 -47.15 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 121.102 1.774 . . . . 0.0 112.532 -161.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' A' ' 95' ' ' ALA 0.311 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -174.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 119.001 -0.523 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -51.76 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 123.961 0.904 . . . . 0.0 111.817 176.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -59.92 -50.43 73.8 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.168 0.895 . . . . 0.0 110.629 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -59.02 5.85 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.368 1.067 . . . . 0.0 111.878 172.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -58.45 -42.75 88.09 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.986 1.315 . . . . 0.0 111.42 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -69.41 -42.27 75.3 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.919 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.81 97.87 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.182 1.355 . . . . 0.0 111.925 172.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.75 -43.6 80.91 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.915 0.886 . . . . 0.0 110.89 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.2 t -59.77 -57.29 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.964 0.906 . . . . 0.0 111.875 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.3 -29.76 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.713 1.605 . . . . 0.0 113.248 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -23.87 12.55 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 171.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 p -154.68 -15.61 0.12 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 165.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.37 158.03 43.22 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-N 120.008 1.276 . . . . 0.0 112.556 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -89.04 111.66 22.44 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.856 -0.791 . . . . 0.0 111.869 -167.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -115.24 171.45 7.68 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.489 1.516 . . . . 0.0 113.662 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.4 t -143.93 151.61 40.01 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.741 2.016 . . . . 0.0 110.714 171.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -139.49 134.39 32.21 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.538 1.535 . . . . 0.0 112.961 -171.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.66 146.92 20.33 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 124.054 0.835 . . . . 0.0 111.878 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 37.4 t80 -54.48 -50.96 66.52 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.047 0.939 . . . . 0.0 113.23 -164.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.46 -46.35 76.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.21 1.004 . . . . 0.0 112.036 175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -62.9 -48.12 80.35 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 126.942 2.097 . . . . 0.0 112.822 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.275 8.0 t -59.98 -65.37 0.69 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-O 116.197 -1.858 . . . . 0.0 109.303 168.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 59' ' ' TYR . 70.3 t -45.35 -48.9 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 121.642 2.019 . . . . 0.0 113.203 -177.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -48.15 -60.89 2.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.639 1.175 . . . . 0.0 111.19 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 m -59.76 -35.84 75.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.272 1.429 . . . . 0.0 113.649 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.33 -40.92 61.89 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.361 0.665 . . . . 0.0 111.23 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -68.07 -28.23 67.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.372 1.069 . . . . 0.0 112.762 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -68.95 -3.19 11.89 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.648 1.179 . . . . 0.0 113.461 162.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.66 4.02 74.51 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.397 1.475 . . . . 0.0 114.716 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 0.86 23.04 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -152.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.7 p -68.31 168.9 11.55 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.877 0.871 . . . . 0.0 112.249 164.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -136.45 -16.86 1.55 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 158.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD11 HD11 ' A' ' 43' ' ' ILE . 1.4 tm? -140.88 133.37 28.48 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.244 1.017 . . . . 0.0 109.993 171.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.434 HG23 HG21 ' A' ' 65' ' ' THR . 15.6 pt -111.41 148.16 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.718 1.207 . . . . 0.0 111.904 168.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.419 HD11 HD11 ' A' ' 41' ' ' LEU . 19.4 mm -119.22 139.77 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.865 1.266 . . . . 0.0 109.331 170.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.39 85.0 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.556 0.742 . . . . 0.0 109.107 167.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.3 53.05 0.95 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.221 1.808 . . . . 0.0 110.017 166.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.5 137.72 21.84 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.958 1.703 . . . . 0.0 108.408 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -65.05 83.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 122.651 1.215 . . . . 0.0 112.481 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.1 m -106.5 109.47 63.15 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 128.037 2.535 . . . . 0.0 110.48 -163.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.76 165.42 29.69 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.575 2.183 . . . . 0.0 112.979 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.8 t -51.5 -52.66 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.371 1.468 . . . . 0.0 113.551 -165.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.24 -37.95 87.39 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.11 0.868 . . . . 0.0 112.075 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.73 -47.51 69.11 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.813 1.645 . . . . 0.0 110.406 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -62.92 -46.28 88.55 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 t -59.53 -33.3 71.21 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.309 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -67.65 -48.84 65.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.489 1.041 . . . . 0.0 111.273 172.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.13 -44.07 87.58 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.057 0.844 . . . . 0.0 112.537 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -61.09 -42.36 98.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.652 2.381 . . . . 0.0 111.417 176.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.65 -48.29 82.25 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.769 1.228 . . . . 0.0 111.701 169.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.405 ' CE2' HG13 ' A' ' 31' ' ' VAL . 35.2 m-85 -65.77 -38.55 89.37 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.273 -0.892 . . . . 0.0 112.933 176.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.0 -46.85 81.98 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.707 1.14 . . . . 0.0 111.962 170.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.9 ttp -58.59 -40.42 83.18 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.307 1.443 . . . . 0.0 112.607 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.33 -66.14 0.58 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.492 1.042 . . . . 0.0 111.601 172.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.5 p -71.47 46.29 0.11 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 129.459 3.103 . . . . 0.0 114.38 -169.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -31.51 96.06 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.78 1.632 . . . . 0.0 112.184 -134.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.434 HG21 HG23 ' A' ' 42' ' ' ILE . 1.7 m -133.16 142.55 48.7 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.453 2.301 . . . . 0.0 109.801 -162.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -78.82 150.36 32.32 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.974 -0.454 . . . . 0.0 110.892 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -105.97 148.97 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 125.388 1.475 . . . . 0.0 110.429 172.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -139.04 110.8 7.15 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.059 1.344 . . . . 0.0 111.386 166.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -79.81 130.5 35.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.309 0.644 . . . . 0.0 111.275 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.539 0.525 0 C-N-CA 124.414 1.086 . . . . 0.0 110.472 -177.074 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 tp . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.83 -38.52 23.32 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.978 0.799 . . . . 0.0 112.662 165.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 m -48.65 -44.29 37.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.826 1.651 . . . . 0.0 111.64 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.68 -67.67 0.51 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.143 0.977 . . . . 0.0 111.556 168.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -154.05 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.0 t -127.85 157.93 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.22 1.408 . . . . 0.0 109.538 -166.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.1 m -146.0 156.48 43.53 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 120.429 -1.419 . . . . 0.0 111.213 156.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.6 mm -117.57 126.93 75.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 126.647 1.979 . . . . 0.0 108.161 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.98 -43.16 5.86 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.442 2.297 . . . . 0.0 111.788 -170.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -139.02 110.67 7.1 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.124 1.37 . . . . 0.0 109.396 171.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.5 56.31 0.25 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.579 0.752 . . . . 0.0 111.852 167.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.56 31.6 0.59 Allowed Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.501 1.524 . . . . 0.0 113.741 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -148.52 -95.91 0.08 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.097 1.759 . . . . 0.0 109.429 -170.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.5 t -109.17 154.49 22.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 123.764 1.745 . . . . 0.0 112.638 168.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.32 18.68 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.957 1 C-N-CA 136.968 6.107 . . . . 0.0 118.707 -176.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 tt -49.37 -51.04 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 121.367 1.894 . . . . 0.0 113.397 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.328 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.727 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -56.1 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 118.218 -0.896 . . . . 0.0 112.69 -165.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -62.37 -55.09 31.34 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.716 1.144 . . . . 0.0 110.767 -169.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.06 -57.37 11.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.227 1.811 . . . . 0.0 111.931 172.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.68 -30.44 69.11 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.944 -172.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.82 -43.6 79.23 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.808 0.731 . . . . 0.0 110.693 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.5 93.54 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.987 0.812 . . . . 0.0 112.126 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.72 -38.41 75.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.877 0.871 . . . . 0.0 111.349 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.66 -54.93 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.082 1.353 . . . . 0.0 112.652 167.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.6 mt -55.82 -20.45 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.775 1.63 . . . . 0.0 113.642 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -48.06 -37.47 15.12 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.717 1.607 . . . . 0.0 113.844 167.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 p -149.21 -1.42 0.47 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.31 -165.93 28.23 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.345 1.45 . . . . 0.0 113.447 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.43 117.32 20.36 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.529 -0.983 . . . . 0.0 111.766 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -131.18 175.74 8.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.185 2.194 . . . . 0.0 112.724 -172.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 t -146.99 150.6 35.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.061 1.745 . . . . 0.0 110.511 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -136.76 129.67 30.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.803 1.641 . . . . 0.0 112.544 -171.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.25 150.65 26.95 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.671 1.129 . . . . 0.0 112.557 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.21 -58.38 7.94 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.922 0.889 . . . . 0.0 113.179 -164.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.17 -41.68 75.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.956 0.903 . . . . 0.0 111.946 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -58.1 -56.93 15.63 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.605 1.562 . . . . 0.0 111.408 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.262 9.9 t -60.37 -52.55 64.76 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.416 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -48.8 -50.91 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 121.669 2.032 . . . . 0.0 112.57 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -54.79 -53.06 60.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.562 0.745 . . . . 0.0 111.634 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -58.29 -52.47 65.46 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.697 1.599 . . . . 0.0 112.333 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.63 -34.67 77.51 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.227 1.411 . . . . 0.0 112.015 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -78.06 -29.2 49.12 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.035 0.934 . . . . 0.0 113.208 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -105.59 -14.51 15.26 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.08 168.59 28.23 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 120.436 1.471 . . . . 0.0 114.862 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HZ1' ' CD ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -75.03 83.13 2.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.989 1.315 . . . . 0.0 110.76 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 93' ' ' LEU . 81.5 p -68.9 161.66 28.27 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 122.106 -0.371 . . . . 0.0 111.355 158.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -136.02 -22.54 1.38 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 169.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 43' ' ' ILE . 1.8 tm? -143.27 125.72 15.74 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.798 0.726 . . . . 0.0 110.365 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.621 HG23 HG21 ' A' ' 65' ' ' THR . 13.8 pt -107.22 140.78 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.953 0.901 . . . . 0.0 111.302 166.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.547 HD11 HD11 ' A' ' 41' ' ' LEU . 25.4 mm -110.26 135.34 49.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 124.353 1.061 . . . . 0.0 108.474 169.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.3 mt -119.76 83.29 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 171.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.89 50.03 1.09 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.735 1.614 . . . . 0.0 110.397 168.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.3 144.58 40.51 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 125.894 1.678 . . . . 0.0 107.437 172.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -76.86 85.23 3.43 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.969 0.89 . . . . 0.0 109.93 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.7 m -105.85 113.65 63.6 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.395 1.478 . . . . 0.0 111.154 -152.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.28 161.35 46.33 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.793 2.328 . . . . 0.0 112.763 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.12 -58.74 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.349 1.86 . . . . 0.0 113.493 -165.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.97 -35.78 77.68 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.619 0.645 . . . . 0.0 112.426 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -50.23 27.35 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.048 1.339 . . . . 0.0 110.461 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -58.26 -48.83 79.19 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.9 m -76.19 -17.07 59.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 118.158 -0.925 . . . . 0.0 113.261 -171.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -66.44 -47.29 73.64 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.012 1.278 . . . . 0.0 111.196 161.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.59 -42.73 97.31 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.311 0.959 . . . . 0.0 112.575 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -57.42 -41.66 80.81 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.471 2.308 . . . . 0.0 110.81 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -62.59 -48.92 77.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.986 1.315 . . . . 0.0 112.011 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -62.79 -41.93 99.48 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.08 0.855 . . . . 0.0 112.014 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.06 -44.71 79.15 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.501 0.72 . . . . 0.0 112.353 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -60.1 -41.88 93.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.816 1.247 . . . . 0.0 112.446 172.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.5 -75.06 0.09 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.293 1.037 . . . . 0.0 112.016 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 p -80.07 79.79 6.57 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.897 1.279 . . . . 0.0 109.531 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -36.87 95.7 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.675 2.79 . . . . 0.0 114.269 -155.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.621 HG21 HG23 ' A' ' 42' ' ' ILE . 7.1 m -136.1 142.98 44.35 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.871 2.068 . . . . 0.0 110.494 -166.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -79.84 143.44 34.36 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.922 -0.486 . . . . 0.0 110.878 172.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.7 t -102.45 132.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 125.824 1.65 . . . . 0.0 109.547 173.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -127.23 107.09 9.7 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.222 1.009 . . . . 0.0 111.596 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -79.67 119.34 22.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.868 1.267 . . . . 0.0 111.208 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 125.211 1.404 . . . . 0.0 110.888 -172.27 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.534 HD22 HG21 ' A' ' 43' ' ' ILE . 21.0 tp . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.27 -30.83 49.13 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.995 -1.065 . . . . 0.0 112.676 168.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 m -51.2 -41.02 59.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.608 1.563 . . . . 0.0 111.063 171.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.33 -68.9 0.51 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.277 1.031 . . . . 0.0 111.677 166.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -152.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 121.504 0.668 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.4 t -134.47 157.07 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 125.5 1.52 . . . . 0.0 108.885 -166.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 m -147.49 155.12 41.58 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 120.315 -1.491 . . . . 0.0 111.402 162.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.0 mm -120.57 129.13 75.93 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 C-N-CA 126.621 1.968 . . . . 0.0 108.836 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 39' ' ' SER . 5.3 mp -101.77 -63.87 1.11 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.48 1.912 . . . . 0.0 109.532 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' CD ' ' HZ1' ' A' ' 38' ' ' LYS . 17.0 mm-40 -117.34 103.31 10.02 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 124.395 1.078 . . . . 0.0 109.541 -177.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.21 56.08 0.46 Allowed 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.615 -0.678 . . . . 0.0 111.219 166.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.06 38.14 0.79 Allowed Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.815 1.674 . . . . 0.0 113.644 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -145.94 -93.65 0.09 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.138 1.775 . . . . 0.0 109.264 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -109.94 177.11 4.82 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 123.243 1.497 . . . . 0.0 113.107 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -53.81 -6.03 0.08 Allowed 'General case' 0 CA--C 1.543 0.708 1 C-N-CA 134.012 4.925 . . . . 0.0 121.36 -168.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . 0.252 13.1 tt -48.21 -59.47 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 123.401 2.819 . . . . 0.0 114.982 -154.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.298 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 116.758 2.133 . . . . 0.0 116.758 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 m . . . . . 0 CA--C 1.517 -0.302 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -47.74 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.962 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -54.08 -57.81 9.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.294 0.952 . . . . 0.0 112.198 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -53.66 -58.53 6.87 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.799 1.639 . . . . 0.0 111.848 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.93 -37.48 82.46 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.798 1.239 . . . . 0.0 111.545 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.99 -42.16 81.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.136 -0.935 . . . . 0.0 112.158 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.49 87.96 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.793 1.178 . . . . 0.0 111.942 173.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -53.99 -42.16 68.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.369 1.468 . . . . 0.0 111.934 173.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 t -60.02 -62.71 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.994 1.317 . . . . 0.0 111.303 166.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.84 -32.71 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.765 1.626 . . . . 0.0 113.702 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -28.79 8.2 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.079 1.352 . . . . 0.0 114.431 171.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p -144.92 -6.68 0.67 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.54 -165.56 33.12 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 127.058 2.266 . . . . 0.0 113.979 175.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.95 113.41 13.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.411 1.085 . . . . 0.0 110.072 -176.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -131.34 174.37 10.13 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.619 1.568 . . . . 0.0 113.656 -170.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -145.86 155.13 42.69 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.698 1.999 . . . . 0.0 111.131 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -140.81 127.06 19.71 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.847 1.659 . . . . 0.0 113.396 -167.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.49 151.1 25.39 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.443 1.021 . . . . 0.0 112.758 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.524 ' CE2' HD21 ' A' ' 56' ' ' LEU . 37.8 t80 -50.52 -58.47 5.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.742 1.217 . . . . 0.0 112.998 -164.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.12 -44.51 79.22 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.746 0.818 . . . . 0.0 112.299 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -60.7 -50.24 74.28 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 126.588 1.955 . . . . 0.0 112.625 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.264 10.0 t -60.84 -62.03 2.15 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 116.668 -1.634 . . . . 0.0 108.856 170.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG21 ' CE1' ' A' ' 27' ' ' TYR . 71.9 t -48.21 -46.46 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 121.405 1.911 . . . . 0.0 113.555 -176.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -57.4 9.02 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.346 1.058 . . . . 0.0 111.119 169.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.3 m -64.63 -31.51 72.77 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.178 1.391 . . . . 0.0 113.849 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.6 mt -74.21 -39.18 63.29 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.891 0.877 . . . . 0.0 110.817 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -65.18 -24.01 67.26 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.94 0.896 . . . . 0.0 112.833 171.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -72.5 -1.99 17.95 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 163.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.18 -33.25 0.94 Allowed Glycine 0 CA--C 1.534 1.246 0 C-N-CA 126.675 2.083 . . . . 0.0 116.169 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -83.24 8.25 13.9 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.202 1.801 . . . . 0.0 115.233 -169.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.8 p -62.12 173.38 1.13 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.457 1.503 . . . . 0.0 112.03 165.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.77 -26.31 0.19 Allowed 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD11 HD11 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -147.16 128.93 15.25 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.72 1.208 . . . . 0.0 110.028 169.798 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.521 HG23 HG21 ' A' ' 65' ' ' THR . 17.3 pt -104.49 142.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.551 1.141 . . . . 0.0 111.667 168.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 41' ' ' LEU . 24.1 mm -115.6 137.02 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.626 1.17 . . . . 0.0 108.441 167.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.4 mt -119.5 86.14 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.44 12.49 34.85 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.773 1.629 . . . . 0.0 112.066 164.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.82 152.56 24.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.652 1.181 . . . . 0.0 111.161 169.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -73.3 76.35 1.34 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.498 1.519 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -106.6 104.84 52.7 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 125.574 1.55 . . . . 0.0 111.75 -157.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.89 164.23 35.44 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.228 1.952 . . . . 0.0 112.05 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.3 t -50.85 -50.27 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.622 1.569 . . . . 0.0 113.088 -168.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.78 -47.4 84.86 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.804 -0.56 . . . . 0.0 111.036 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -42.51 95.14 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.353 1.461 . . . . 0.0 110.801 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -64.76 -43.53 93.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.917 0.781 . . . . 0.0 109.198 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.0 p -57.28 -35.36 69.7 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.38 0.672 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.37 -44.92 74.16 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.362 0.665 . . . . 0.0 111.605 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.524 HD21 ' CE2' ' A' ' 27' ' ' TYR . 6.9 mt -57.75 -44.31 86.02 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 172.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.34 -40.81 98.33 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.492 2.317 . . . . 0.0 110.979 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.99 -47.39 86.69 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.482 1.513 . . . . 0.0 111.748 170.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.41 ' CE2' HG22 ' A' ' 31' ' ' VAL . 24.3 m-85 -64.88 -39.09 92.99 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.042 -1.036 . . . . 0.0 112.659 174.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.11 -36.73 71.0 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.969 0.908 . . . . 0.0 112.854 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 59.1 ttp -73.46 -41.15 63.55 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.448 1.899 . . . . 0.0 113.644 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.49 -60.79 2.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.714 1.206 . . . . 0.0 111.109 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.2 p -58.23 176.59 0.16 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.088 0.955 . . . . 0.0 110.62 162.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -112.24 75.54 0.92 Allowed 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.036 -1.665 . . . . 0.0 108.998 179.455 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.521 HG21 HG23 ' A' ' 42' ' ' ILE . 78.2 m -135.98 129.15 31.65 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 113.935 -1.484 . . . . 0.0 111.472 -156.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -78.53 157.36 28.85 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.368 1.067 . . . . 0.0 110.91 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.99 142.69 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.559 1.143 . . . . 0.0 111.244 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -139.34 156.41 47.04 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.616 1.166 . . . . 0.0 112.641 168.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -130.07 120.1 24.12 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.715 1.606 . . . . 0.0 111.123 -172.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 123.607 0.763 . . . . 0.0 111.948 -167.382 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 119.654 -0.212 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.03 -22.81 29.58 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.553 0.597 . . . . 0.0 113.486 164.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.7 m -97.2 -23.02 16.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.904 1.281 . . . . 0.0 111.71 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.2 -48.74 66.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.03 0.932 . . . . 0.0 111.616 165.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.473 0.689 0 C-N-CA 122.806 0.443 . . . . 0.0 111.017 173.247 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.467 0.401 0 CA-C-O 121.851 0.834 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.4 t -127.38 157.07 39.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 126.446 1.899 . . . . 0.0 107.868 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -146.65 150.14 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 119.947 -1.721 . . . . 0.0 110.373 160.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.5 mm -113.43 131.22 65.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 C-N-CA 126.217 1.807 . . . . 0.0 107.801 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.53 -54.14 3.91 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.621 1.568 . . . . 0.0 109.309 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -134.13 122.03 22.3 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.727 1.211 . . . . 0.0 110.911 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.08 75.01 5.61 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.775 1.23 . . . . 0.0 111.514 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.68 39.29 0.38 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.267 1.413 . . . . 0.0 115.676 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -154.1 -90.07 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.819 1.647 . . . . 0.0 109.541 162.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.3 t -107.09 158.39 17.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.053 1.341 . . . . 0.0 112.242 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.95 34.35 0.19 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.687 1.995 . . . . 0.0 116.274 -152.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.8 tt -52.59 -35.3 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -167.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.411 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 171.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.81 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 C-N-CA 125.679 1.592 . . . . 0.0 110.694 175.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -62.53 -55.16 30.03 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.773 0.715 . . . . 0.0 110.777 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -62.22 -46.57 88.28 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.216 0.606 . . . . 0.0 111.96 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -68.59 -37.17 79.6 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.446 0.566 . . . . 0.0 112.457 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.91 -36.64 82.73 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.233 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -62.14 -44.31 96.9 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.645 1.111 . . . . 0.0 112.206 169.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.3 -46.76 76.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.186 0.994 . . . . 0.0 110.44 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.3 -60.87 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.301 1.041 . . . . 0.0 111.771 168.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.413 HG23 ' CE1' ' A' ' 23' ' ' TYR . 4.1 mt -55.02 -24.33 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.716 1.606 . . . . 0.0 113.849 -176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -49.95 -34.73 21.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.07 1.348 . . . . 0.0 113.737 171.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.8 p -149.29 -5.03 0.39 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.577 2.065 . . . . 0.0 116.577 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.31 178.08 53.06 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.846 1.212 . . . . 0.0 113.08 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.42 109.6 21.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.611 1.564 . . . . 0.0 110.446 -173.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.413 ' CE1' HG23 ' A' ' 18' ' ' ILE . 41.5 p90 -123.75 168.36 12.81 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.098 1.759 . . . . 0.0 112.913 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -141.94 152.16 43.24 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.332 1.853 . . . . 0.0 110.733 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -137.14 118.93 15.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.853 1.261 . . . . 0.0 113.326 -162.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.53 160.85 36.91 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.647 1.118 . . . . 0.0 113.676 174.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.405 ' CE1' HD21 ' A' ' 56' ' ' LEU . 11.6 t80 -54.98 -62.39 1.69 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.45 1.1 . . . . 0.0 113.738 -163.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -54.31 -46.36 72.79 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.932 0.893 . . . . 0.0 111.928 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -55.08 -55.07 35.13 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.166 1.786 . . . . 0.0 111.815 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -65.61 -46.91 77.5 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 116.183 -1.865 . . . . 0.0 109.858 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -52.37 -51.08 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 122.88 2.582 . . . . 0.0 111.417 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -50.06 -48.48 52.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.85 1.26 . . . . 0.0 112.301 170.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -71.26 -46.01 61.91 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.308 1.443 . . . . 0.0 113.029 -175.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.42 -17.44 64.78 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.612 1.965 . . . . 0.0 112.069 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -52.1 5.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.517 1.527 . . . . 0.0 113.042 164.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -100.25 0.05 39.55 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -165.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.28 165.97 27.3 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 120.292 1.405 . . . . 0.0 114.288 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 70.71 4.43 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.237 1.415 . . . . 0.0 111.377 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.0 p -64.42 150.6 46.11 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.516 -0.74 . . . . 0.0 112.173 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -138.42 -22.44 1.01 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -144.77 130.08 18.72 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.21 1.404 . . . . 0.0 110.199 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.55 HG23 HG21 ' A' ' 65' ' ' THR . 16.4 pt -109.71 124.38 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.069 1.348 . . . . 0.0 110.968 165.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.4 mm -89.84 123.71 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 124.588 1.155 . . . . 0.0 107.922 162.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mt -109.92 108.75 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 166.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.0 51.2 1.68 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.276 2.231 . . . . 0.0 110.735 -176.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.07 169.38 17.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.477 1.511 . . . . 0.0 110.598 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.59 22.1 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 126.504 1.922 . . . . 0.0 113.657 176.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 m -52.97 109.8 1.65 Allowed Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 129.88 3.272 . . . . 0.0 112.022 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -78.25 173.49 13.79 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.6 2.867 . . . . 0.0 112.794 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -50.61 -48.41 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.354 1.862 . . . . 0.0 114.214 -167.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.92 -45.97 76.25 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.479 1.036 . . . . 0.0 111.09 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -46.14 87.71 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.373 1.869 . . . . 0.0 110.44 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -46.75 86.73 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.255 0.622 . . . . 0.0 110.132 174.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.2 m -59.47 -35.64 74.46 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.178 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -65.66 -47.46 75.45 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.526 1.057 . . . . 0.0 112.368 172.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.405 HD21 ' CE1' ' A' ' 27' ' ' TYR . 4.2 mt -60.77 -41.88 96.4 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.088 -1.007 . . . . 0.0 112.687 175.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.98 -39.33 89.23 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.96 2.104 . . . . 0.0 111.694 172.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -60.2 -48.71 80.59 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.761 1.225 . . . . 0.0 111.347 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -64.36 -37.72 88.51 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.048 -1.032 . . . . 0.0 112.718 174.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.04 74.66 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 170.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.9 ttp -77.94 -35.32 50.54 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.892 2.077 . . . . 0.0 113.891 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.5 -56.46 8.3 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.837 1.255 . . . . 0.0 110.802 173.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -60.55 -177.68 0.08 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.044 0.538 . . . . 0.0 110.18 157.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -116.94 66.18 0.72 Allowed 'General case' 0 N--CA 1.476 0.835 0 O-C-N 119.438 -2.039 . . . . 0.0 109.326 -178.732 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.55 HG21 HG23 ' A' ' 42' ' ' ILE . 87.8 m -125.47 130.49 51.92 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.775 1.23 . . . . 0.0 110.388 -156.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.99 149.34 32.27 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.745 -0.597 . . . . 0.0 110.321 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.01 131.94 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.921 1.288 . . . . 0.0 110.63 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -129.92 103.14 6.62 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.671 1.188 . . . . 0.0 111.274 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -79.97 76.49 6.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.734 1.214 . . . . 0.0 112.887 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.55 0.958 0 C-N-CA 125.745 1.618 . . . . 0.0 111.261 170.64 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.66 -42.51 45.0 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 124.11 0.862 . . . . 0.0 113.664 164.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 m -69.04 -16.12 63.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.153 1.381 . . . . 0.0 111.509 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -90.42 -52.07 5.1 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.484 1.114 . . . . 0.0 112.942 171.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -179.478 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.468 0.439 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.4 t -134.03 109.52 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 126.41 1.884 . . . . 0.0 107.401 -174.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 m -113.19 141.51 46.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.0 mm -116.76 131.51 69.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 C-N-CA 125.258 1.423 . . . . 0.0 108.609 -174.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.44 -60.53 1.55 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.288 1.835 . . . . 0.0 109.88 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.85 108.39 12.94 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.168 1.387 . . . . 0.0 109.114 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.02 -15.0 62.95 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.24 74.42 0.01 OUTLIER Glycine 0 CA--C 1.532 1.099 0 C-N-CA 127.478 2.466 . . . . 0.0 117.8 -148.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -153.39 -56.63 0.12 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.394 2.677 . . . . 0.0 107.033 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -106.68 -164.97 1.04 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.04 0.936 . . . . 0.0 110.108 144.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -105.17 -3.01 23.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -168.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.4 tt -39.09 -39.07 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -137.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.783 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 168.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 118.599 -0.715 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -49.69 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 119.042 0.837 . . . . 0.0 110.62 171.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -57.66 -54.03 51.43 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.936 1.294 . . . . 0.0 111.569 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -52.4 63.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.535 1.934 . . . . 0.0 112.088 174.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 54.4 tttp -64.74 -32.02 73.51 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 118.784 0.72 . . . . 0.0 112.135 176.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.81 -32.22 73.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.41 -1.432 . . . . 0.0 112.656 173.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.1 -38.9 93.0 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.532 1.06 . . . . 0.0 112.575 164.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.19 -28.28 67.83 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.587 0.755 . . . . 0.0 112.081 171.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.39 -65.01 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 119.495 1.043 . . . . 0.0 109.217 163.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 mt -57.33 -19.92 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 125.73 1.612 . . . . 0.0 113.993 -168.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -53.58 -31.63 47.54 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.618 1.099 . . . . 0.0 113.851 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 p -155.92 -5.59 0.12 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -171.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.48 156.82 18.36 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 125.563 1.554 . . . . 0.0 113.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -85.7 112.7 21.28 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.503 0.721 . . . . 0.0 110.988 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -113.08 169.23 9.08 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.583 1.553 . . . . 0.0 112.812 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -141.95 153.46 44.36 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.211 1.804 . . . . 0.0 110.921 172.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.5 mt -134.85 127.21 30.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.629 1.571 . . . . 0.0 113.75 -167.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.45 149.73 10.69 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.272 1.415 . . . . 0.0 112.93 173.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.453 ' CE1' HD21 ' A' ' 56' ' ' LEU . 24.7 t80 -45.25 -55.93 5.36 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.18 1.792 . . . . 0.0 112.973 -164.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -39.94 -59.92 1.12 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.45 1.9 . . . . 0.0 113.043 171.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -70.16 -43.87 69.97 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 127.856 2.463 . . . . 0.0 112.149 -166.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.256 8.8 t -60.79 -64.74 0.85 Allowed 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 116.216 -1.85 . . . . 0.0 108.64 166.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.0 t -49.26 -45.58 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 121.823 2.102 . . . . 0.0 113.464 -174.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -43.78 -66.07 0.43 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.385 1.474 . . . . 0.0 111.147 164.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 m -62.69 -31.57 72.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.487 1.515 . . . . 0.0 113.873 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.6 -45.86 57.06 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.659 1.184 . . . . 0.0 111.081 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 mtt-85 -62.83 -31.5 72.51 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.241 1.017 . . . . 0.0 112.145 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -72.61 -4.24 29.68 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.565 1.146 . . . . 0.0 114.034 167.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.65 2.56 51.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.324 1.44 . . . . 0.0 115.306 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.28 0.05 57.41 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.628 1.214 . . . . 0.0 113.626 -167.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -69.46 161.4 29.53 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.162 0.985 . . . . 0.0 112.968 166.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -130.95 -16.95 3.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.079 0.951 . . . . 0.0 113.01 158.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.572 HD11 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -145.04 138.56 26.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.071 1.348 . . . . 0.0 109.594 176.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.415 HG23 HG21 ' A' ' 65' ' ' THR . 23.0 pt -116.64 142.7 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.746 1.218 . . . . 0.0 111.336 165.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.572 HD11 HD11 ' A' ' 41' ' ' LEU . 40.4 mm -117.28 110.76 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 126.248 1.819 . . . . 0.0 109.079 177.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 mt -99.98 97.46 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.24 17.09 17.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.965 2.106 . . . . 0.0 111.497 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.62 148.61 30.2 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.852 -1.155 . . . . 0.0 108.481 160.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -77.42 87.59 3.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 171.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.7 m -105.07 122.33 43.49 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 126.129 1.772 . . . . 0.0 112.512 -150.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.7 156.83 53.01 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.533 2.155 . . . . 0.0 112.331 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.7 t -50.56 -54.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.827 1.651 . . . . 0.0 113.178 -167.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 99.0 mt -63.37 -22.22 66.75 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -40.69 12.02 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.376 -0.828 . . . . 0.0 110.505 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -58.41 -49.13 78.39 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 169.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.2 m -77.93 -19.75 54.06 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.502 -1.237 . . . . 0.0 113.462 -170.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -67.08 -41.24 86.67 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 120.993 1.724 . . . . 0.0 112.644 160.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD21 ' CE1' ' A' ' 27' ' ' TYR . 5.7 mt -60.81 -44.0 97.46 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.07 1.304 . . . . 0.0 113.597 172.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -56.15 -44.43 79.25 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.747 2.419 . . . . 0.0 110.269 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -59.99 -46.58 88.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.194 1.398 . . . . 0.0 112.148 171.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.13 -39.23 92.75 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.067 1.303 . . . . 0.0 113.092 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.78 -33.52 68.63 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 170.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.7 ttp -80.29 -36.26 34.67 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.62 1.968 . . . . 0.0 113.92 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.06 -55.35 14.72 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.254 1.422 . . . . 0.0 110.914 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.3 p -61.4 -175.91 0.06 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.239 0.615 . . . . 0.0 110.245 157.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -122.2 89.64 3.15 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.148 -1.595 . . . . 0.0 108.249 172.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.415 HG21 HG23 ' A' ' 42' ' ' ILE . 81.1 m -143.24 138.52 29.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.132 1.373 . . . . 0.0 110.846 -157.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -78.33 124.0 27.61 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.537 1.135 . . . . 0.0 110.47 174.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.4 t -85.72 127.11 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.156 0.582 . . . . 0.0 110.135 167.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -122.23 120.24 33.56 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.071 0.948 . . . . 0.0 111.952 167.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.14 97.68 9.49 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.551 1.14 . . . . 0.0 110.856 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.4 t80 . . . . . 0 CA--C 1.534 0.338 0 C-N-CA 124.523 1.129 . . . . 0.0 112.498 177.107 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.74 -32.79 8.6 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.987 0.803 . . . . 0.0 112.774 165.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 m -56.62 -48.31 77.75 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.67 1.588 . . . . 0.0 111.987 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.13 84.76 Favored 'General case' 0 C--N 1.341 0.22 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -170.253 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 121.078 0.466 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.7 t -114.0 159.26 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.647 1.579 . . . . 0.0 107.398 170.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 m -148.89 150.46 33.0 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 119.522 -1.986 . . . . 0.0 109.901 165.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.455 HG12 HD12 ' A' ' 41' ' ' LEU . 46.6 mm -111.93 130.11 66.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 125.196 1.398 . . . . 0.0 109.199 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.16 -45.95 6.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.613 1.965 . . . . 0.0 111.161 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -143.67 116.11 8.57 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.488 1.915 . . . . 0.0 109.324 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.96 76.39 0.64 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.574 1.15 . . . . 0.0 112.648 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.26 58.66 0.42 Allowed Glycine 0 CA--C 1.533 1.17 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 156.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 98' ' ' SER . 31.8 t70 -111.84 -120.12 0.29 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.294 2.638 . . . . 0.0 108.599 -169.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.506 ' H ' ' CG ' ' A' ' 97' ' ' ASP . 2.0 t -108.37 -80.77 0.57 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 130.473 3.509 . . . . 0.0 105.218 139.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.47 -14.77 12.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 130.125 3.37 . . . . 0.0 118.832 -169.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.425 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 11.4 tt -38.63 -59.38 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -139.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 101' ' ' LEU 0.352 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -171.4 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -49.15 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.122 0.969 . . . . 0.0 108.965 173.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -64.68 -50.74 65.83 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.865 1.266 . . . . 0.0 111.86 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -57.27 -52.62 64.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.944 0.898 . . . . 0.0 111.295 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 50.8 tttp -65.6 -33.73 76.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.018 0.927 . . . . 0.0 112.229 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.68 -43.95 71.48 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.825 1.25 . . . . 0.0 111.373 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.74 98.31 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.661 1.118 . . . . 0.0 111.592 172.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tt -53.71 -42.98 68.62 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.257 1.023 . . . . 0.0 111.518 171.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 t -63.63 -53.3 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.223 1.409 . . . . 0.0 112.809 171.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.0 mt -54.9 -19.85 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.648 1.979 . . . . 0.0 113.613 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -48.02 -37.62 15.26 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.816 1.646 . . . . 0.0 113.771 165.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.6 p -150.8 -12.06 0.23 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.43 160.45 45.71 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 119.861 1.209 . . . . 0.0 112.765 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HB2' ' H ' ' A' ' 94' ' ' GLU . 3.9 mmmm -82.6 110.43 17.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.602 1.161 . . . . 0.0 111.987 -175.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -119.5 175.81 5.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.546 1.539 . . . . 0.0 113.179 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -148.2 147.39 29.36 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.45 1.9 . . . . 0.0 110.487 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.423 HD23 HG13 ' A' ' 90' ' ' VAL . 74.0 mt -132.42 126.42 33.07 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.046 1.339 . . . . 0.0 113.684 -166.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.51 149.46 16.49 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.898 1.237 . . . . 0.0 113.038 175.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CE2' HD21 ' A' ' 56' ' ' LEU . 36.9 t80 -48.87 -55.68 10.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.447 1.499 . . . . 0.0 112.726 -164.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -39.74 -58.58 1.31 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.659 1.983 . . . . 0.0 112.352 170.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -65.96 -53.42 39.3 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.449 1.9 . . . . 0.0 110.775 -170.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -56.44 -58.68 6.97 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 116.84 -1.552 . . . . 0.0 109.528 173.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.44 HG21 ' CE1' ' A' ' 27' ' ' TYR . 71.3 t -49.9 -48.41 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 121.861 2.119 . . . . 0.0 113.097 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -55.16 -51.7 65.65 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.91 0.777 . . . . 0.0 111.916 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 m -60.56 -42.39 96.48 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.854 1.662 . . . . 0.0 113.032 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -71.19 -39.49 71.77 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.613 1.165 . . . . 0.0 111.507 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -73.64 -37.49 65.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 118.368 -0.825 . . . . 0.0 112.409 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -106.12 -13.45 15.44 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -174.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.35 175.08 20.07 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 120.473 1.488 . . . . 0.0 115.52 -168.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.93 53.34 1.38 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.378 1.871 . . . . 0.0 113.23 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.3 p -56.18 131.16 47.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.738 1.215 . . . . 0.0 113.251 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -113.86 -34.27 5.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -144.58 135.08 24.56 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.238 1.415 . . . . 0.0 109.652 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.0 pt -113.7 131.26 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.705 0.802 . . . . 0.0 111.266 170.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.2 mm -96.21 127.24 48.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 125.75 1.62 . . . . 0.0 107.746 170.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.2 mt -123.82 90.02 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 170.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.46 61.99 0.64 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.725 1.61 . . . . 0.0 110.881 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.22 165.38 27.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.248 1.019 . . . . 0.0 110.984 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.2 53.84 0.84 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.618 1.167 . . . . 0.0 110.747 170.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -70.12 117.98 59.45 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 126.255 1.822 . . . . 0.0 113.474 -162.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.77 149.19 51.64 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.242 2.628 . . . . 0.0 113.122 171.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.6 t -53.63 -51.0 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.065 1.346 . . . . 0.0 112.747 -172.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.96 -21.19 66.8 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -43.84 10.22 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.229 -0.92 . . . . 0.0 110.041 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -50.45 73.35 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 118.699 -0.667 . . . . 0.0 109.444 170.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 m -72.66 -21.44 61.08 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -65.99 -42.29 89.96 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 121.562 1.983 . . . . 0.0 112.318 163.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 27' ' ' TYR . 8.3 mt -63.11 -41.78 99.43 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.795 -1.19 . . . . 0.0 113.255 174.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -56.79 -43.08 80.55 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 127.029 2.132 . . . . 0.0 111.281 171.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -57.97 -51.09 71.08 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.446 1.099 . . . . 0.0 111.39 170.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -63.45 -35.02 79.06 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.365 -0.834 . . . . 0.0 113.157 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.31 99.11 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.496 1.043 . . . . 0.0 113.21 167.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -60.23 -22.72 63.37 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.365 1.866 . . . . 0.0 113.202 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.1 mt -63.39 82.63 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 122.568 1.175 . . . . 0.0 109.404 158.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.8 p -61.23 23.82 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 130.81 3.644 . . . . 0.0 119.608 -136.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -65.47 -19.73 66.06 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.823 1.649 . . . . 0.0 112.627 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.8 m -133.69 160.16 38.38 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.194 -0.941 . . . . 0.0 112.897 -146.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.62 163.7 22.86 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.629 1.172 . . . . 0.0 111.49 169.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.5 t -117.55 137.87 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.817 1.647 . . . . 0.0 111.022 -172.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -132.35 100.76 5.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.906 1.282 . . . . 0.0 111.022 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -79.13 116.14 19.23 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.494 1.518 . . . . 0.0 110.831 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.469 0.494 0 C-N-CA 124.875 1.27 . . . . 0.0 111.277 -164.834 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.82 -16.85 53.08 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-O 119.038 -0.868 . . . . 0.0 114.441 164.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -80.12 -18.1 50.76 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.622 1.711 . . . . 0.0 111.438 168.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.13 -45.83 8.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.747 1.219 . . . . 0.0 113.317 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -169.588 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.235 0.291 0 CA-C-O 121.748 0.785 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.423 HG13 HD23 ' A' ' 25' ' ' LEU . 85.0 t -137.47 159.79 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 125.58 1.552 . . . . 0.0 107.972 -174.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.8 m -149.79 156.1 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 119.361 -2.087 . . . . 0.0 110.531 171.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.8 mm -123.61 138.35 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.066 1.746 . . . . 0.0 109.011 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.23 -67.4 0.99 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.393 1.477 . . . . 0.0 110.266 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.4 ' H ' ' HB2' ' A' ' 22' ' ' LYS . 14.6 mp0 -114.79 92.76 4.05 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.475 1.51 . . . . 0.0 109.06 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.4 52.62 0.19 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.808 1.243 . . . . 0.0 112.385 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.17 41.21 0.9 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 126.251 1.881 . . . . 0.0 114.115 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -142.51 -83.42 0.18 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.811 1.644 . . . . 0.0 109.353 -173.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 t -108.8 152.33 25.02 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 123.379 1.561 . . . . 0.0 112.06 161.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -52.0 3.86 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.836 1 C-N-CA 136.354 5.862 . . . . 0.0 117.719 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.438 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 16.2 tt -46.84 -43.83 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -158.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.305 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -170.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -37.73 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -46.46 75.11 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.734 1.614 . . . . 0.0 112.167 177.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.92 -54.29 37.01 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.813 0.845 . . . . 0.0 109.979 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.6 -42.67 93.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.815 0.846 . . . . 0.0 111.475 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.14 -49.9 65.85 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.739 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -37.61 84.65 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 120.607 1.549 . . . . 0.0 112.444 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.69 -44.47 77.4 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 123.862 0.865 . . . . 0.0 111.119 169.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.7 -47.99 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.685 1.194 . . . . 0.0 112.791 174.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.417 HG23 ' CE1' ' A' ' 23' ' ' TYR . 7.3 mm -50.94 -28.74 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.716 2.006 . . . . 0.0 113.184 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -57.96 -24.5 58.25 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 p -140.76 -17.31 0.86 Allowed 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.226 1.935 . . . . 0.0 116.226 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.07 148.3 26.88 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 119.535 1.061 . . . . 0.0 113.747 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -79.0 113.36 17.07 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.221 1.008 . . . . 0.0 111.577 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' CE1' HG23 ' A' ' 18' ' ' ILE . 25.3 p90 -119.08 169.21 10.12 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -140.86 147.56 39.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 127.217 2.207 . . . . 0.0 109.725 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.0 mt -136.01 130.53 33.69 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.704 1.202 . . . . 0.0 113.993 -168.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.64 155.57 27.32 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.564 1.078 . . . . 0.0 112.933 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CE1' HD21 ' A' ' 56' ' ' LEU . 21.1 t80 -52.54 -60.62 3.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.649 1.18 . . . . 0.0 113.38 -162.626 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.66 -43.73 76.56 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.978 0.911 . . . . 0.0 112.543 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.52 -55.95 28.48 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.65 1.58 . . . . 0.0 111.754 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -61.71 -53.51 55.11 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 116.919 -1.515 . . . . 0.0 109.469 175.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.6 t -47.25 -49.62 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 121.83 2.105 . . . . 0.0 112.429 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -54.36 -56.14 21.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.93 0.892 . . . . 0.0 112.026 170.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -58.36 -41.75 85.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.27 1.828 . . . . 0.0 113.527 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.9 mt -73.63 -38.24 65.09 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.478 1.511 . . . . 0.0 111.44 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -68.31 -23.04 64.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.601 0.637 . . . . 0.0 112.446 172.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.9 3.33 8.4 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.823 1.249 . . . . 0.0 113.822 162.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.6 -40.97 2.48 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.778 1.656 . . . . 0.0 116.343 158.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.18 7.68 4.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -168.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.4 p -65.67 159.66 24.45 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.204 1.365 . . . . 0.0 112.187 174.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -134.42 -21.53 1.78 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' A' ' 43' ' ' ILE . 2.1 tm? -142.43 132.61 24.69 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.261 1.024 . . . . 0.0 110.832 173.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.714 HG23 HG21 ' A' ' 65' ' ' THR . 16.8 pt -113.77 138.56 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.733 1.213 . . . . 0.0 111.228 163.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.48 ' CD1' HD11 ' A' ' 41' ' ' LEU . 31.8 mm -112.2 119.6 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.017 1.327 . . . . 0.0 108.184 169.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.6 mt -100.87 110.41 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 171.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.12 59.48 0.94 Allowed 'General case' 0 C--N 1.344 0.334 0 C-N-CA 125.796 1.638 . . . . 0.0 111.923 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.7 150.83 37.98 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 126.053 1.741 . . . . 0.0 109.256 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -68.85 77.45 0.31 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.289 1.436 . . . . 0.0 109.323 174.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 84.0 m -97.68 118.13 64.49 Favored Pre-proline 0 N--CA 1.47 0.565 0 C-N-CA 125.119 1.367 . . . . 0.0 111.153 -154.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.83 146.37 36.28 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.114 2.543 . . . . 0.0 113.036 173.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.67 -46.42 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.281 1.032 . . . . 0.0 111.908 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.87 -48.98 76.88 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.1 0.56 . . . . 0.0 111.524 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -49.13 77.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.389 1.876 . . . . 0.0 110.737 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -61.6 -44.51 96.86 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.334 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 p -57.88 -34.99 70.37 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.541 0.736 . . . . 0.0 112.712 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.88 -46.6 71.2 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.307 0.958 . . . . 0.0 111.192 174.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' A' ' 27' ' ' TYR . 4.1 mt -60.64 -41.12 94.31 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.512 -0.743 . . . . 0.0 112.854 175.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.89 -39.46 94.55 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.116 2.566 . . . . 0.0 111.502 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -61.82 -47.44 85.07 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.312 1.445 . . . . 0.0 111.708 169.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -65.69 -37.45 86.5 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.051 -1.03 . . . . 0.0 112.85 174.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.97 -36.78 70.74 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 170.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.9 ttp -76.82 -34.74 57.89 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.728 2.011 . . . . 0.0 114.078 175.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.22 -52.64 25.74 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.938 1.295 . . . . 0.0 111.557 173.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.5 p -61.15 -173.07 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.125 0.97 . . . . 0.0 110.437 156.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -120.9 62.83 0.87 Allowed 'General case' 0 N--CA 1.479 1.022 0 O-C-N 119.372 -2.08 . . . . 0.0 110.094 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.714 HG21 HG23 ' A' ' 42' ' ' ILE . 93.4 m -114.42 135.62 53.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.644 -159.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -78.27 128.37 33.62 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.46 130.66 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 167.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -127.13 144.21 51.09 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.789 0.836 . . . . 0.0 110.765 170.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -115.3 108.11 16.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.979 1.312 . . . . 0.0 109.304 -177.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.425 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 CA--C 1.54 0.589 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.9 -41.2 20.54 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-N 120.488 1.495 . . . . 0.0 110.836 157.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.1 m -47.41 -38.18 12.83 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.711 2.405 . . . . 0.0 114.563 166.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.31 -51.98 13.59 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.632 1.105 . . . . 0.0 111.529 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -159.176 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.467 0.392 0 CA-C-O 121.37 0.605 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.1 t -113.2 153.64 14.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 126.943 2.097 . . . . 0.0 107.604 172.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.415 ' OG ' HG22 ' A' ' 42' ' ' ILE . 4.8 m -144.89 154.05 42.21 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 120.14 -1.6 . . . . 0.0 110.592 159.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 mm -124.43 137.49 57.08 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 125.155 1.382 . . . . 0.0 109.315 -177.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.86 -50.15 2.7 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.015 1.726 . . . . 0.0 112.291 -169.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.42 93.83 2.94 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.961 1.305 . . . . 0.0 110.2 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.09 84.23 1.8 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.033 -0.417 . . . . 0.0 109.941 164.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.24 39.93 0.46 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.429 1.014 . . . . 0.0 112.606 166.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -153.86 -148.42 0.25 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.005 2.122 . . . . 0.0 108.793 -156.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -56.78 147.66 22.52 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 124.301 2.0 . . . . 0.0 111.548 166.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -51.87 4.22 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.651 1 C-N-CA 135.494 5.518 . . . . 0.0 117.574 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.5 tt -49.65 -47.79 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 120.549 1.522 . . . . 0.0 113.625 -163.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 117.568 -1.206 . . . . 0.0 113.519 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -43.19 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 120.405 1.457 . . . . 0.0 110.591 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -54.26 -57.05 12.66 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.2 1.0 . . . . 0.0 111.312 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -54.75 -55.74 26.71 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.6 1.96 . . . . 0.0 111.431 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -63.18 -36.47 83.72 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.4 1.48 . . . . 0.0 111.982 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.66 -38.28 83.58 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.718 0.69 . . . . 0.0 111.614 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.65 83.0 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.188 0.904 . . . . 0.0 112.458 169.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.33 -40.29 64.75 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.04 1.336 . . . . 0.0 110.903 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 t -62.59 -63.57 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.909 1.684 . . . . 0.0 111.967 166.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.8 mt -56.46 -17.86 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.944 1.697 . . . . 0.0 114.648 -174.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -47.06 -36.9 8.66 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.262 1.825 . . . . 0.0 113.608 161.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -149.46 -12.24 0.3 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 -168.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.63 167.17 20.89 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.848 1.689 . . . . 0.0 113.352 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -99.79 118.45 36.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.946 1.299 . . . . 0.0 111.503 -169.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -128.84 170.09 13.79 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.326 1.45 . . . . 0.0 114.268 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.6 t -139.83 161.91 36.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.781 2.432 . . . . 0.0 110.11 169.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.28 151.62 40.73 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.182 1.793 . . . . 0.0 112.444 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.63 157.35 26.79 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.152 1.358 . . . . 0.0 112.52 174.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.497 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 66.4 t80 -67.0 -77.05 0.07 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.132 1.466 . . . . 0.0 114.461 -165.082 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -66.92 -19.89 65.81 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.54 -1.35 . . . . 0.0 111.948 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 t -57.28 -59.95 4.35 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 128.439 2.696 . . . . 0.0 113.151 163.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.255 14.7 t -63.54 -40.5 97.18 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-O 117.395 -1.288 . . . . 0.0 110.908 173.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 59' ' ' TYR . 54.1 t -48.71 -55.52 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 121.818 2.099 . . . . 0.0 112.179 172.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -55.85 -45.46 78.43 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.84 1.656 . . . . 0.0 111.862 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 m -57.74 -56.74 18.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.212 1.405 . . . . 0.0 111.692 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.19 -35.31 78.46 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 127.105 2.162 . . . . 0.0 112.087 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -64.66 -33.25 75.5 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.137 0.975 . . . . 0.0 113.046 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -105.46 -15.21 15.07 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.99 156.14 26.83 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 120.485 1.493 . . . . 0.0 115.254 -171.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 91.93 1.24 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.373 1.869 . . . . 0.0 111.425 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -71.35 169.36 15.44 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.686 -0.634 . . . . 0.0 111.754 156.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -136.46 -14.23 1.72 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 157.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.431 HD11 HD11 ' A' ' 43' ' ' ILE . 1.2 tm? -141.29 131.97 25.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.281 1.032 . . . . 0.0 110.222 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 pt -112.45 146.83 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.857 1.263 . . . . 0.0 111.05 165.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.525 HG21 HD22 ' A' ' 77' ' ' LEU . 18.1 mm -122.59 136.73 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.37 1.068 . . . . 0.0 109.348 170.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.19 96.28 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 124.294 1.038 . . . . 0.0 109.315 169.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -110.31 50.53 0.8 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.141 1.777 . . . . 0.0 109.529 159.655 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.69 138.75 52.9 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.803 1.641 . . . . 0.0 107.162 162.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -63.51 83.12 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.379 1.472 . . . . 0.0 111.331 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 95.1 m -106.58 108.47 61.92 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 126.531 1.932 . . . . 0.0 111.568 -159.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.49 168.3 22.92 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.746 2.297 . . . . 0.0 113.193 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -52.33 -52.21 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.359 1.463 . . . . 0.0 113.789 -165.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.76 -32.24 73.67 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.882 1.219 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.497 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -71.78 -45.92 60.01 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 126.143 1.777 . . . . 0.0 110.712 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -65.53 -42.15 92.3 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.064 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -55.69 -42.76 75.67 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 124.459 1.104 . . . . 0.0 111.545 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.11 -56.62 17.83 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.482 1.037 . . . . 0.0 111.195 169.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.84 -44.54 86.55 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.283 0.947 . . . . 0.0 113.066 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -62.92 -35.75 81.1 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.56 2.344 . . . . 0.0 111.694 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -62.98 -49.0 76.4 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.719 1.208 . . . . 0.0 111.459 169.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.548 ' CE2' HG13 ' A' ' 31' ' ' VAL . 29.1 m-85 -66.0 -35.96 81.99 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.422 -0.799 . . . . 0.0 112.389 177.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.26 81.02 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.952 0.796 . . . . 0.0 112.352 167.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -57.68 -43.32 85.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.951 1.301 . . . . 0.0 112.56 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -61.05 2.78 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.967 0.803 . . . . 0.0 111.224 173.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.4 p -75.4 42.33 0.21 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.453 2.301 . . . . 0.0 114.186 -173.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' H ' ' HD2' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -31.87 98.12 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.854 1.261 . . . . 0.0 112.82 -134.235 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -132.46 146.02 51.62 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 128.162 2.585 . . . . 0.0 110.237 -162.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -78.94 146.92 33.22 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.483 1.513 . . . . 0.0 110.614 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.3 t -117.5 144.85 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.824 1.25 . . . . 0.0 110.372 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -140.34 152.75 46.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.902 0.881 . . . . 0.0 112.277 170.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -126.72 85.75 2.42 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.406 1.482 . . . . 0.0 110.509 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.711 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.738 0 CA-C-O 122.963 1.363 . . . . 0.0 108.52 177.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 43' ' ' ILE . 42.8 tp . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.27 -28.89 4.73 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.355 0.979 . . . . 0.0 112.955 165.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -58.17 -39.12 78.05 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.213 1.805 . . . . 0.0 113.215 171.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.16 -18.74 55.17 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.133 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.54 0.686 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 t -132.0 155.59 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.791 1.637 . . . . 0.0 109.058 -166.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.4 m -147.82 148.87 31.37 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 120.374 -1.454 . . . . 0.0 110.898 163.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.1 mm -125.53 133.27 69.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 126.083 1.753 . . . . 0.0 109.442 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.48 -56.11 2.27 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.05 2.14 . . . . 0.0 111.446 -171.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -131.57 111.71 11.98 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.484 1.514 . . . . 0.0 108.471 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.78 -29.19 19.96 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -173.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.22 -5.61 0.3 Allowed Glycine 0 CA--C 1.539 1.589 0 N-CA-C 120.918 3.127 . . . . 0.0 120.918 -113.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -112.64 84.24 1.95 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.71 1.755 . . . . 0.0 108.645 169.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -105.41 -178.18 3.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 129.545 3.138 . . . . 0.0 114.042 8.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -53.52 23.13 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.078 1 C-N-CA 134.396 5.078 . . . . 0.0 117.866 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 tt -62.53 -21.62 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 121.097 1.771 . . . . 0.0 114.441 -166.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.32 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.452 0 C-N-CA 127.015 2.126 . . . . 0.0 115.886 169.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.234 0.267 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -47.49 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 118.931 0.787 . . . . 0.0 111.145 177.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -59.56 -51.62 69.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.086 0.857 . . . . 0.0 111.475 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -57.65 -54.74 43.45 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.401 177.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -63.2 -38.93 93.1 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.008 0.822 . . . . 0.0 112.457 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.7 -40.41 88.47 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.822 -0.609 . . . . 0.0 111.858 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.01 93.03 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.875 1.216 . . . . 0.0 112.504 171.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 98' ' ' SER . 1.2 tt -56.38 -42.8 78.49 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.996 1.319 . . . . 0.0 109.799 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 t -59.92 -57.89 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.64 1.176 . . . . 0.0 112.451 168.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.5 mt -52.78 -28.51 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.595 1.158 . . . . 0.0 113.262 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -48.67 -37.11 17.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.265 1.426 . . . . 0.0 114.162 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -149.6 -2.86 0.42 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.18 -166.6 29.18 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.359 1.457 . . . . 0.0 112.344 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.39 122.59 26.58 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.329 -1.101 . . . . 0.0 111.802 -177.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -129.94 173.71 10.44 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.532 2.333 . . . . 0.0 112.234 -172.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.4 t -146.1 146.9 31.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.977 1.711 . . . . 0.0 110.337 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -135.71 134.04 38.69 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.148 1.379 . . . . 0.0 113.54 -170.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.5 145.75 11.51 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 123.98 0.8 . . . . 0.0 111.895 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 32.7 t80 -51.76 -51.9 52.79 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.798 1.239 . . . . 0.0 113.295 -165.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -39.67 -58.92 1.23 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.933 2.093 . . . . 0.0 112.04 168.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -66.08 -52.09 52.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 126.581 1.952 . . . . 0.0 110.835 -170.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.262 6.6 t -56.68 -58.17 9.22 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 116.718 -1.611 . . . . 0.0 109.86 173.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.5 t -47.98 -50.25 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 121.734 2.061 . . . . 0.0 112.893 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -56.17 -47.9 77.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.118 0.967 . . . . 0.0 112.646 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 m -65.53 -41.25 93.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.431 1.492 . . . . 0.0 112.73 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.4 mt -71.64 -38.28 70.75 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.296 1.039 . . . . 0.0 111.317 177.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -61.21 -27.47 68.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.679 0.792 . . . . 0.0 112.757 169.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -78.57 5.45 10.88 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 166.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.95 -19.99 1.99 Allowed Glycine 0 CA--C 1.534 1.281 0 N-CA-C 117.258 1.663 . . . . 0.0 117.258 159.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -88.74 -0.74 57.6 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.497 1.665 . . . . 0.0 115.497 -166.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.1 p -59.43 165.51 2.77 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.229 -0.92 . . . . 0.0 113.001 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -138.59 -18.47 1.09 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 164.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.561 HD11 HD11 ' A' ' 43' ' ' ILE . 1.1 tm? -139.38 129.51 25.19 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.936 0.789 . . . . 0.0 109.799 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 65' ' ' THR . 16.9 pt -113.66 141.36 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.25 1.02 . . . . 0.0 111.575 168.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 41' ' ' LEU . 21.6 mm -115.95 138.94 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.784 1.234 . . . . 0.0 108.866 172.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.92 91.47 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.23 46.82 0.91 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.675 1.99 . . . . 0.0 110.265 168.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.62 151.53 39.15 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.218 1.807 . . . . 0.0 109.992 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -66.71 75.33 0.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.273 2.229 . . . . 0.0 112.943 -173.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.7 m -107.73 99.93 32.34 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.842 1.657 . . . . 0.0 111.674 -162.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -72.68 171.25 17.65 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.065 2.51 . . . . 0.0 113.195 -175.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.7 t -50.05 -48.97 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.138 1.775 . . . . 0.0 114.164 -166.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.01 -44.26 85.28 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.032 0.833 . . . . 0.0 111.087 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -63.45 -46.88 84.23 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.615 1.966 . . . . 0.0 110.819 -178.124 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -47.53 83.39 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.046 0.538 . . . . 0.0 109.623 175.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.1 m -60.95 -34.38 74.66 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.603 0.761 . . . . 0.0 112.225 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -64.47 -48.69 74.31 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.066 0.848 . . . . 0.0 111.835 172.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.098 0.863 . . . . 0.0 112.497 175.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -59.94 -43.69 94.84 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.393 1.877 . . . . 0.0 111.532 174.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -59.6 -48.29 82.25 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.848 1.259 . . . . 0.0 111.544 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -64.15 -43.12 96.19 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 118.35 -0.833 . . . . 0.0 112.48 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.28 -41.9 72.87 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.485 1.039 . . . . 0.0 112.846 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.0 ttp -61.99 -38.57 89.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.961 1.304 . . . . 0.0 112.317 172.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.91 -61.11 2.36 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.186 0.903 . . . . 0.0 111.288 170.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.8 p -78.49 46.59 0.65 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.167 1.787 . . . . 0.0 113.584 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' H ' ' HD2' ' A' ' 64' ' ' LYS . 1.2 mptp? -32.52 98.7 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.123 1.369 . . . . 0.0 112.978 -137.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.627 HG21 HG23 ' A' ' 42' ' ' ILE . 1.8 m -133.09 144.24 49.85 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 128.352 2.661 . . . . 0.0 110.12 -161.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -79.04 144.76 34.33 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 122.079 -0.388 . . . . 0.0 110.976 176.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.67 135.6 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.637 1.575 . . . . 0.0 110.225 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -132.11 98.67 4.49 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.054 0.941 . . . . 0.0 111.586 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -78.78 74.88 5.3 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.232 1.413 . . . . 0.0 111.414 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 126.369 1.868 . . . . 0.0 111.288 -179.293 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 tp . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.39 -15.65 32.28 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.118 -0.989 . . . . 0.0 113.935 169.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 m -61.36 -47.35 86.28 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.493 1.117 . . . . 0.0 110.24 167.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.35 -57.63 5.62 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.93 0.892 . . . . 0.0 111.007 168.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.287 17.6 m . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -163.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.237 0.403 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.7 t -130.81 156.52 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.702 1.601 . . . . 0.0 108.895 -168.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -144.97 156.1 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 120.301 -1.5 . . . . 0.0 110.86 158.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.6 mm -122.79 131.76 72.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 125.995 1.718 . . . . 0.0 108.989 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.95 -55.28 2.42 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 127.168 2.187 . . . . 0.0 110.517 -173.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -120.35 102.67 8.63 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.346 1.058 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.0 56.42 1.22 Allowed 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.466 -0.772 . . . . 0.0 112.467 173.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.81 24.42 0.66 Allowed Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.121 1.343 . . . . 0.0 115.853 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -145.63 -77.37 0.2 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.345 1.573 . . . . 0.0 110.999 -172.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.401 ' HB2' HD22 ' A' ' 16' ' ' LEU . 17.9 t -108.2 162.81 13.73 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.031 1.332 . . . . 0.0 111.74 165.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -83.68 18.06 2.06 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 -157.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 tt -44.1 -52.17 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -160.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 p . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.6 -50.89 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.995 167.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.61 -55.23 31.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.905 0.882 . . . . 0.0 112.355 -168.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -66.46 -42.84 86.94 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.387 0.675 . . . . 0.0 111.999 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -64.14 -44.18 92.96 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.641 0.655 . . . . 0.0 111.276 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.92 -36.97 78.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.69 1.196 . . . . 0.0 111.98 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -45.3 87.84 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.522 1.055 . . . . 0.0 112.391 170.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.95 -40.74 73.65 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.374 1.07 . . . . 0.0 110.779 172.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -60.01 -60.31 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.577 0.751 . . . . 0.0 111.836 168.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mt -52.65 -29.04 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.609 1.564 . . . . 0.0 113.775 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -18.31 4.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.067 1.347 . . . . 0.0 114.355 171.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 p -149.77 -15.16 0.27 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 117.276 2.325 . . . . 0.0 117.276 160.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.53 158.6 43.57 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.991 1.281 . . . . 0.0 113.267 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.05 122.01 26.23 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.52 1.128 . . . . 0.0 111.086 -171.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -127.92 172.59 10.75 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.617 1.167 . . . . 0.0 113.756 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -142.81 149.91 39.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.328 1.851 . . . . 0.0 111.021 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.67 126.92 33.71 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.293 1.837 . . . . 0.0 112.493 -170.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.61 151.57 28.42 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.421 1.01 . . . . 0.0 112.591 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 36.6 t80 -55.26 -55.25 33.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.887 0.875 . . . . 0.0 113.253 -163.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.82 -42.91 80.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.694 0.798 . . . . 0.0 111.951 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -61.06 -49.48 77.17 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 126.573 1.949 . . . . 0.0 112.608 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.293 9.0 t -60.61 -63.63 1.23 Allowed 'General case' 0 C--N 1.345 0.371 0 CA-C-O 116.274 -1.822 . . . . 0.0 109.334 169.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.2 t -43.35 -50.57 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 121.602 2.001 . . . . 0.0 113.304 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -56.73 12.45 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.008 1.323 . . . . 0.0 111.378 172.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 m -64.41 -33.58 76.18 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.847 1.259 . . . . 0.0 113.522 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.7 mt -71.1 -41.75 70.19 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.652 0.781 . . . . 0.0 110.669 173.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -62.79 -28.53 70.06 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.262 1.025 . . . . 0.0 113.1 171.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -72.24 -6.05 40.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 165.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.46 -1.57 35.12 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.302 1.43 . . . . 0.0 115.486 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -87.31 -7.6 57.63 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.182 1.393 . . . . 0.0 114.359 -164.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -68.49 163.3 23.72 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.16 0.984 . . . . 0.0 112.926 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -138.93 -12.58 1.25 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.69 1.366 . . . . 0.0 114.69 161.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -140.28 134.87 31.63 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.35 1.46 . . . . 0.0 108.992 171.388 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.526 HG23 HG21 ' A' ' 65' ' ' THR . 17.8 pt -116.35 149.55 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.986 0.915 . . . . 0.0 111.762 167.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.574 HG21 HD22 ' A' ' 77' ' ' LEU . 37.9 mm -124.25 136.42 60.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 125.885 1.674 . . . . 0.0 109.85 178.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.38 96.92 4.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 123.06 0.544 . . . . 0.0 109.713 168.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.95 50.06 1.06 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.981 2.912 . . . . 0.0 110.722 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.06 168.96 18.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.478 1.511 . . . . 0.0 110.832 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -66.62 21.22 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.67 1.988 . . . . 0.0 114.841 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.3 m -60.02 114.22 9.25 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 129.441 3.096 . . . . 0.0 112.907 -172.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -59.97 167.71 6.85 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.985 3.79 . . . . 0.0 115.201 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.07 -43.95 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.878 1.271 . . . . 0.0 113.172 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.96 -39.97 83.27 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.958 -1.089 . . . . 0.0 111.034 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -64.08 -47.96 78.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.66 1.984 . . . . 0.0 111.227 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -42.67 99.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.858 171.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.0 m -58.09 -37.54 74.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.242 0.617 . . . . 0.0 112.174 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -65.25 -46.71 79.43 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.103 0.865 . . . . 0.0 112.062 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.14 -44.86 92.08 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.174 0.897 . . . . 0.0 112.794 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -60.03 -39.9 87.47 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 127.671 2.389 . . . . 0.0 111.549 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -61.26 -49.77 75.75 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.724 1.21 . . . . 0.0 111.861 169.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -63.28 -36.88 85.13 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.115 -0.991 . . . . 0.0 112.778 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.51 -44.09 96.4 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.14 0.882 . . . . 0.0 112.43 170.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -58.43 -43.95 88.92 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.738 1.215 . . . . 0.0 112.191 171.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.41 -61.49 2.5 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.905 0.775 . . . . 0.0 111.406 173.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.8 p -76.3 43.5 0.3 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 128.155 2.582 . . . . 0.0 114.159 -173.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -32.22 99.39 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.758 1.223 . . . . 0.0 112.68 -136.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.526 HG21 HG23 ' A' ' 42' ' ' ILE . 1.7 m -133.85 143.22 48.19 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 128.518 2.727 . . . . 0.0 109.659 -162.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -79.35 118.26 21.09 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.565 0.746 . . . . 0.0 110.753 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.94 131.74 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 123.286 0.634 . . . . 0.0 110.249 170.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -129.22 123.89 33.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.028 0.918 . . . . 0.0 112.315 168.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -87.51 109.12 19.38 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 124.628 1.171 . . . . 0.0 110.886 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.546 0.814 0 C-N-CA 126.989 2.115 . . . . 0.0 108.703 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.574 HD22 HG21 ' A' ' 43' ' ' ILE . 50.0 tp . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.78 -28.16 6.9 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.313 0.959 . . . . 0.0 113.457 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 m -54.68 -39.59 68.25 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.268 1.827 . . . . 0.0 112.584 171.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.85 -21.43 44.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.033 1.333 . . . . 0.0 114.319 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -167.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.7 t -135.74 159.24 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.164 1.386 . . . . 0.0 108.387 -166.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.0 m -149.08 155.79 41.25 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 119.699 -1.876 . . . . 0.0 110.894 166.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mm -120.82 136.33 58.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 125.819 1.648 . . . . 0.0 109.002 -178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.69 -105.11 0.34 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.894 2.078 . . . . 0.0 107.882 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.91 94.63 4.6 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.943 -1.098 . . . . 0.0 110.577 170.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.38 65.15 0.42 Allowed 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.564 -0.71 . . . . 0.0 111.59 165.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.65 39.2 0.75 Allowed Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.408 1.48 . . . . 0.0 114.179 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -144.02 -81.02 0.18 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.019 1.328 . . . . 0.0 110.478 -169.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 t -108.28 152.77 24.17 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.643 1.687 . . . . 0.0 111.702 161.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -52.22 3.41 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.902 1 C-N-CA 136.039 5.736 . . . . 0.0 117.866 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.6 tt -48.12 -50.58 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.961 1.255 . . . . 0.0 114.078 -161.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.436 ' H ' ' HG ' ' A' ' 101' ' ' LEU 0.355 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 117.141 2.275 . . . . 0.0 117.141 179.323 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 119.57 -0.252 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -51.15 76.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.325 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.399 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -53.82 -57.2 11.79 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.613 1.097 . . . . 0.0 111.906 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -56.7 -57.4 12.58 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.976 0.91 . . . . 0.0 110.932 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -66.5 -34.12 77.21 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-O 118.877 -0.583 . . . . 0.0 112.172 -175.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -71.64 -41.49 68.74 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.147 0.885 . . . . 0.0 111.662 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.42 94.47 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.34 0.973 . . . . 0.0 111.975 171.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tt -55.47 -39.53 70.5 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.25 1.02 . . . . 0.0 111.15 172.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -63.84 -57.08 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 119.115 0.87 . . . . 0.0 112.975 167.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 mt -57.21 -17.84 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.706 1.602 . . . . 0.0 113.788 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -47.69 -34.94 8.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.727 1.611 . . . . 0.0 113.354 164.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.6 p -149.35 -14.89 0.29 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 172.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.8 169.49 54.24 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.937 1.256 . . . . 0.0 113.201 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.03 129.95 46.14 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.441 -1.035 . . . . 0.0 112.811 -171.578 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -133.82 166.88 21.62 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.775 1.63 . . . . 0.0 113.248 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 t -140.67 149.62 42.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.953 2.101 . . . . 0.0 110.107 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -140.21 135.11 32.05 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.849 1.26 . . . . 0.0 114.154 -166.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.59 149.71 26.04 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.551 1.072 . . . . 0.0 111.876 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -54.36 -65.52 0.56 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -161.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -20.06 60.82 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.281 -0.887 . . . . 0.0 111.968 -178.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -59.37 -52.98 63.28 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.854 1.261 . . . . 0.0 111.677 169.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.285 4.9 t -61.48 -53.1 60.91 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 116.222 -1.847 . . . . 0.0 109.647 172.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 59' ' ' TYR . 55.5 t -43.87 -55.17 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 122.025 2.193 . . . . 0.0 113.29 176.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -49.2 -57.7 6.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.265 1.426 . . . . 0.0 111.278 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.2 m -60.11 -31.87 70.45 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.661 1.584 . . . . 0.0 114.039 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.0 mt -82.84 -34.76 26.78 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.171 1.389 . . . . 0.0 112.017 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -67.0 -25.8 66.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.935 0.894 . . . . 0.0 111.777 169.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -72.37 0.14 10.89 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.22 1.408 . . . . 0.0 113.594 162.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.76 -36.12 1.03 Allowed Glycine 0 CA--C 1.532 1.144 0 C-N-CA 127.594 2.521 . . . . 0.0 116.516 166.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -73.59 24.11 0.07 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.343 2.257 . . . . 0.0 116.331 -162.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.4 p -90.84 172.99 8.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.36 2.264 . . . . 0.0 113.399 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -138.07 -19.74 1.13 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 167.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.505 HD11 HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -148.5 141.42 24.77 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.166 1.348 . . . . 0.0 111.185 175.843 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 pt -115.0 140.73 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.188 1.395 . . . . 0.0 111.383 169.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.556 HG21 HD22 ' A' ' 77' ' ' LEU . 15.2 mm -112.54 138.15 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.845 0.858 . . . . 0.0 108.933 169.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mt -123.59 90.38 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.78 0.832 . . . . 0.0 109.159 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.87 85.37 2.16 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.585 1.954 . . . . 0.0 108.97 161.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -158.79 169.48 24.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.133 0.973 . . . . 0.0 111.534 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -61.05 76.95 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.426 1.89 . . . . 0.0 109.979 169.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -112.36 91.56 16.84 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -164.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -74.02 170.35 20.32 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.985 2.457 . . . . 0.0 111.532 168.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.8 t -52.02 -53.02 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.29 1.436 . . . . 0.0 112.926 -170.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.78 -40.46 92.64 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.533 0.606 . . . . 0.0 112.125 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -65.48 -52.17 54.81 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.241 1.416 . . . . 0.0 110.552 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -57.85 -48.58 79.38 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -77.39 -17.75 57.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 117.206 -1.378 . . . . 0.0 113.349 -171.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.06 -51.35 69.53 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.829 1.649 . . . . 0.0 110.023 159.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.53 -43.77 96.81 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 121.696 0.76 . . . . 0.0 112.59 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -57.67 -41.37 81.39 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.74 2.416 . . . . 0.0 111.212 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -59.37 -45.16 92.2 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.275 1.03 . . . . 0.0 111.42 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE2' HG13 ' A' ' 31' ' ' VAL . 32.2 m-85 -72.81 -31.39 64.79 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.36 -0.837 . . . . 0.0 113.256 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.31 -37.68 72.85 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.279 0.945 . . . . 0.0 112.067 167.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -75.52 -40.38 57.07 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.65 1.98 . . . . 0.0 114.146 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.19 -51.72 35.11 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.529 1.059 . . . . 0.0 111.945 176.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.4 p -62.79 -175.74 0.1 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 158.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -121.9 85.16 2.36 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.025 -1.672 . . . . 0.0 108.767 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.4 m -144.35 134.6 24.33 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.993 1.317 . . . . 0.0 110.792 -153.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -78.96 154.31 29.68 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.981 1.312 . . . . 0.0 111.386 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.03 130.47 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.242 1.417 . . . . 0.0 111.198 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -126.2 107.69 10.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.684 1.194 . . . . 0.0 111.752 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -82.8 115.08 21.55 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.259 1.024 . . . . 0.0 112.652 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.555 1.145 0 C-N-CA 127.449 2.3 . . . . 0.0 111.69 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 43' ' ' ILE . 16.1 tp . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.72 -37.84 14.8 Favored Glycine 0 N--CA 1.477 1.375 0 CA-C-N 120.26 1.391 . . . . 0.0 112.09 159.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 m -53.34 -37.9 62.75 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.569 2.747 . . . . 0.0 113.304 169.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.06 -46.2 8.26 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.335 1.454 . . . . 0.0 113.055 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 178.636 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.06 157.78 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.423 1.489 . . . . 0.0 109.057 -162.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 m -144.53 155.25 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 120.386 -1.446 . . . . 0.0 111.037 157.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.5 mm -119.74 139.31 47.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 C-N-CA 126.174 1.79 . . . . 0.0 108.776 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 mp -116.28 -96.15 0.47 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.94 1.696 . . . . 0.0 108.097 -173.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -77.09 92.84 3.8 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.546 1.138 . . . . 0.0 110.086 173.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.0 44.87 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.463 1.505 . . . . 0.0 112.693 163.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.51 41.14 1.36 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.996 1.76 . . . . 0.0 114.004 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -144.49 -81.69 0.17 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.219 1.407 . . . . 0.0 109.725 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.6 t -109.99 159.43 17.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.929 1.292 . . . . 0.0 111.275 160.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.55 9.64 0.24 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.801 2.44 . . . . 0.0 116.652 -166.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 tt -38.8 -63.03 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.131 1.372 . . . . 0.0 113.806 -145.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.473 HD22 ' H ' ' A' ' 101' ' ' LEU 0.262 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -172.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 p . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -48.14 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.773 0.829 . . . . 0.0 111.633 174.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -52.22 -56.53 14.1 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.007 1.323 . . . . 0.0 112.488 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.13 -40.3 94.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.479 0.712 . . . . 0.0 111.232 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 57.0 tttp -63.15 -43.35 98.58 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.117 1.367 . . . . 0.0 111.377 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.71 -37.27 82.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.141 0.976 . . . . 0.0 111.886 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -63.72 -46.3 86.01 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.254 0.934 . . . . 0.0 111.609 172.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.33 -39.6 73.06 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.492 1.117 . . . . 0.0 111.537 173.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.93 -62.45 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.489 166.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.7 mt -49.99 -32.51 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.892 1.677 . . . . 0.0 113.518 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.32 -18.06 9.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.111 1.765 . . . . 0.0 114.354 174.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 p -148.42 -21.35 0.33 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 163.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.4 158.66 32.85 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.551 1.548 . . . . 0.0 113.513 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -87.04 127.45 35.11 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.261 1.024 . . . . 0.0 112.257 -168.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -130.39 174.48 9.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.895 1.678 . . . . 0.0 113.252 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.7 t -146.78 153.88 40.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.129 1.771 . . . . 0.0 111.18 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -140.43 130.56 24.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.879 1.672 . . . . 0.0 112.835 -169.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.71 150.34 25.37 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.155 0.883 . . . . 0.0 112.64 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CE1' HD21 ' A' ' 56' ' ' LEU . 32.1 t80 -54.07 -55.84 23.69 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.223 1.009 . . . . 0.0 113.568 -164.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -55.58 -44.77 77.23 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.909 0.884 . . . . 0.0 111.735 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -60.34 -49.94 75.61 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 126.851 2.06 . . . . 0.0 112.476 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.28 8.8 t -61.19 -63.15 1.39 Allowed 'General case' 0 C--N 1.345 0.401 0 CA-C-O 116.285 -1.817 . . . . 0.0 109.595 170.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -44.0 -51.33 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 121.818 2.099 . . . . 0.0 112.967 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -48.83 -60.7 2.53 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.822 1.249 . . . . 0.0 111.255 170.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 m -62.01 -35.95 80.09 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.34 1.456 . . . . 0.0 113.671 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.22 -44.64 68.18 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.572 0.749 . . . . 0.0 110.789 174.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -65.5 -25.24 67.39 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.449 0.699 . . . . 0.0 112.572 174.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -76.3 0.59 18.81 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.342 1.457 . . . . 0.0 114.093 165.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.12 -22.43 0.96 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.369 1.938 . . . . 0.0 116.913 167.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -72.38 -4.99 33.29 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.466 1.507 . . . . 0.0 114.816 -172.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -63.48 160.62 16.02 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.32 -0.862 . . . . 0.0 112.725 170.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -138.83 -13.55 1.24 Allowed 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 163.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.428 HD11 HD11 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -144.3 141.82 30.02 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.796 1.18 . . . . 0.0 111.126 171.866 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 pt -119.31 144.14 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.367 1.467 . . . . 0.0 111.608 168.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.428 HD11 HD11 ' A' ' 41' ' ' LEU . 18.2 mm -116.52 136.17 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.737 1.215 . . . . 0.0 108.318 168.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mt -118.76 111.69 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 164.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -122.98 59.32 1.07 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.782 1.633 . . . . 0.0 111.654 174.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.32 169.32 21.09 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.868 1.267 . . . . 0.0 111.106 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -68.67 33.32 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.244 2.218 . . . . 0.0 114.127 175.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.0 m -68.45 111.96 9.65 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 127.924 2.49 . . . . 0.0 111.581 -170.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.32 165.4 32.56 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.599 2.2 . . . . 0.0 112.364 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.6 t -49.33 -56.27 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.731 1.612 . . . . 0.0 113.119 -167.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.81 -35.31 76.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.731 0.696 . . . . 0.0 112.525 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -71.87 -50.94 24.97 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.417 1.487 . . . . 0.0 110.639 179.311 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -58.84 -46.67 87.16 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -77.21 -16.97 58.84 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 118.016 -0.992 . . . . 0.0 113.376 -172.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.69 -46.58 78.5 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.181 1.355 . . . . 0.0 110.987 160.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.421 HD21 ' CE1' ' A' ' 27' ' ' TYR . 4.0 mt -59.32 -44.58 92.57 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.233 0.924 . . . . 0.0 112.55 174.359 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -58.47 -41.02 84.26 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.631 2.373 . . . . 0.0 110.889 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -62.81 -47.9 81.42 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.27 1.428 . . . . 0.0 111.801 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -63.08 -38.09 89.82 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.052 0.842 . . . . 0.0 112.514 174.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.54 76.58 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.086 0.857 . . . . 0.0 111.663 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.2 ttp -56.94 -40.0 75.57 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.172 1.389 . . . . 0.0 112.826 174.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.2 -65.67 0.64 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.304 0.956 . . . . 0.0 111.658 172.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.4 p -71.94 47.45 0.15 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.102 2.961 . . . . 0.0 114.261 -169.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -31.52 94.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.578 1.551 . . . . 0.0 112.234 -133.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -132.7 143.89 49.93 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 128.375 2.67 . . . . 0.0 109.599 -162.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -78.76 146.39 33.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.637 1.175 . . . . 0.0 110.773 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.6 t -109.43 143.37 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.813 1.245 . . . . 0.0 109.772 173.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -137.63 151.69 48.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.593 1.157 . . . . 0.0 111.407 166.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -123.22 103.67 8.68 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.637 1.575 . . . . 0.0 109.081 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.638 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 2.0 t80 . . . . . 0 CA--C 1.533 0.308 0 C-N-CA 125.13 1.372 . . . . 0.0 108.693 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.2 tp . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.64 -32.81 25.25 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.61 1.1 . . . . 0.0 113.639 163.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 m -65.43 -22.91 66.82 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.886 1.343 . . . . 0.0 112.13 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -89.07 -41.6 12.22 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -166.161 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.467 0.404 0 CA-C-O 121.587 0.708 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.0 t -132.75 155.71 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 125.962 1.705 . . . . 0.0 108.964 -167.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.9 m -147.0 155.41 42.22 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 120.27 -1.518 . . . . 0.0 111.461 161.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.1 mm -119.63 135.61 59.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 126.615 1.966 . . . . 0.0 108.906 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mp -111.13 -103.89 0.39 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.324 1.85 . . . . 0.0 108.163 -176.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -77.94 81.41 4.34 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.704 1.202 . . . . 0.0 109.697 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.7 11.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.699 2.799 . . . . 0.0 117.193 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.18 55.54 0.04 OUTLIER Glycine 0 CA--C 1.537 1.414 0 C-N-CA 128.251 2.834 . . . . 0.0 118.723 -151.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -139.97 -64.08 0.49 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.374 1.87 . . . . 0.0 109.106 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -110.17 156.09 21.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 123.206 1.479 . . . . 0.0 112.398 162.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -52.45 4.23 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 1 C-N-CA 134.18 4.992 . . . . 0.0 117.043 170.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.465 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 13.0 tt -45.9 -47.35 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 120.327 1.421 . . . . 0.0 113.677 -157.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.458 HD22 ' H ' ' A' ' 101' ' ' LEU 0.351 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.472 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -173.131 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -44.59 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.697 171.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -54.05 -57.0 12.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.624 1.169 . . . . 0.0 111.934 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -56.42 -53.19 60.29 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.767 1.227 . . . . 0.0 111.357 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.13 -35.46 78.8 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 118.378 0.535 . . . . 0.0 111.984 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.49 -38.94 77.87 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.348 0.977 . . . . 0.0 112.686 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.79 89.34 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.893 1.224 . . . . 0.0 111.914 170.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.54 -34.48 64.74 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.893 1.277 . . . . 0.0 111.367 171.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.644 HG22 ' H ' ' A' ' 98' ' ' SER . 23.1 t -70.83 -51.51 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.015 1.726 . . . . 0.0 112.488 170.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.3 mt -57.18 -21.95 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.9 1.28 . . . . 0.0 113.545 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -48.41 -33.49 9.29 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.361 1.864 . . . . 0.0 114.204 162.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 p -158.03 23.9 0.26 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.375 1.47 . . . . 0.0 113.163 -154.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.86 150.69 22.88 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.759 0.695 . . . . 0.0 113.389 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -79.59 114.05 18.22 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.525 1.13 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -118.63 168.75 10.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.752 1.221 . . . . 0.0 113.968 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -144.07 160.73 40.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.401 2.28 . . . . 0.0 110.18 173.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.7 mt -144.4 145.34 31.87 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.284 1.433 . . . . 0.0 112.398 -164.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.04 160.42 21.29 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.249 1.404 . . . . 0.0 113.635 171.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.53 -80.6 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -162.08 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -23.33 65.92 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.095 -1.628 . . . . 0.0 112.425 -175.324 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.5 t -54.59 -58.63 6.73 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 128.507 2.723 . . . . 0.0 113.354 166.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -69.26 -35.52 76.19 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 116.344 -1.788 . . . . 0.0 110.789 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.6 HG13 ' CE2' ' A' ' 59' ' ' TYR . 26.8 t -52.73 -55.01 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 122.08 2.218 . . . . 0.0 110.908 173.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.53 -52.5 22.28 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.496 1.519 . . . . 0.0 110.675 170.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.3 m -65.25 -26.94 68.32 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.78 -30.88 18.68 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.038 1.735 . . . . 0.0 111.12 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -66.58 -21.2 66.14 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.464 1.105 . . . . 0.0 112.384 168.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -69.13 -2.22 9.72 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 161.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.04 -39.24 1.81 Allowed Glycine 0 CA--C 1.531 1.081 0 C-N-CA 126.516 2.007 . . . . 0.0 116.162 163.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -72.0 17.89 0.09 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -167.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -83.6 167.09 17.63 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.649 1.18 . . . . 0.0 113.721 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 -22.8 0.91 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -146.13 128.41 15.8 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 120.224 1.374 . . . . 0.0 111.474 176.389 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.502 HG23 HG21 ' A' ' 65' ' ' THR . 15.5 pt -111.58 141.33 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.24 1.416 . . . . 0.0 111.923 167.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.48 HD11 HD11 ' A' ' 41' ' ' LEU . 40.2 mm -118.17 124.57 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 127.748 2.419 . . . . 0.0 108.435 175.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mt -116.46 106.14 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.62 64.97 0.8 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.316 1.846 . . . . 0.0 110.649 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -151.2 161.03 43.47 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.29 1.036 . . . . 0.0 111.702 -176.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -60.7 68.01 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 129.535 3.134 . . . . 0.0 114.081 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.9 m -98.88 110.64 58.23 Favored Pre-proline 0 N--CA 1.469 0.51 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -152.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -77.21 168.5 23.01 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.006 2.471 . . . . 0.0 111.951 170.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.92 -42.49 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.081 1.352 . . . . 0.0 112.226 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.8 -47.51 83.14 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.534 0.734 . . . . 0.0 111.988 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -59.55 -51.11 71.27 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.793 0.837 . . . . 0.0 110.18 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -59.55 -46.59 88.46 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.2 m -53.22 -47.98 68.51 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.651 1.18 . . . . 0.0 111.428 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.57 -50.89 72.13 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.525 1.057 . . . . 0.0 111.556 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.1 -41.39 97.3 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.811 0.815 . . . . 0.0 112.615 -176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.8 -38.57 91.6 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.063 2.545 . . . . 0.0 111.703 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.94 -45.68 91.84 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.265 1.026 . . . . 0.0 111.535 171.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.6 ' CE2' HG13 ' A' ' 31' ' ' VAL . 31.5 m-85 -69.35 -36.74 77.19 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.35 -0.844 . . . . 0.0 112.825 175.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -36.65 68.8 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 169.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.5 ttp -77.53 -36.78 52.02 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.137 2.175 . . . . 0.0 114.15 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.38 -52.88 28.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.561 1.145 . . . . 0.0 111.431 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.6 p -62.42 -174.24 0.06 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.994 0.918 . . . . 0.0 110.456 158.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -121.83 73.84 1.1 Allowed 'General case' 0 N--CA 1.477 0.875 0 O-C-N 119.561 -1.962 . . . . 0.0 109.838 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.502 HG21 HG23 ' A' ' 42' ' ' ILE . 98.2 m -127.91 133.45 49.28 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.141 -155.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -78.05 140.66 39.13 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.419 1.088 . . . . 0.0 109.988 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.1 t -110.14 132.72 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.532 1.133 . . . . 0.0 110.558 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -131.32 106.22 8.14 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.845 0.831 . . . . 0.0 113.21 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -79.48 75.4 6.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.38 1.472 . . . . 0.0 112.086 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 127.096 2.158 . . . . 0.0 110.77 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 tp . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.45 -20.99 56.63 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.046 -0.863 . . . . 0.0 113.807 168.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.5 m -87.91 -29.77 20.6 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.228 1.514 . . . . 0.0 111.963 169.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.38 98.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.684 1.129 . . . . 0.0 111.451 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 123.587 0.755 . . . . 0.0 112.724 176.572 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.0 t -131.98 142.45 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 127.556 2.342 . . . . 0.0 106.878 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 m -134.6 148.24 50.39 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.798 0.726 . . . . 0.0 110.702 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.2 mm -121.46 136.72 57.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 125.512 1.525 . . . . 0.0 108.719 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.61 -61.84 1.62 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.031 1.332 . . . . 0.0 110.583 -171.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -130.74 94.03 3.54 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.291 1.036 . . . . 0.0 109.878 -174.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.48 98.0 10.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.795 0.838 . . . . 0.0 110.624 174.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.13 -38.75 97.04 Favored Glycine 0 CA--C 1.534 1.255 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 170.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -141.82 152.14 43.42 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 148.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.644 ' H ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -109.31 177.96 4.59 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 118.94 -2.35 . . . . 0.0 112.969 -8.815 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -71.72 18.31 0.08 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -162.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.404 ' CG2' HG21 ' A' ' 17' ' ' VAL . 8.5 tt -54.39 -31.52 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.164 -1.585 . . . . 0.0 113.48 -172.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 101' ' ' LEU 0.324 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 176.153 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 119.425 -0.321 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -53.56 25.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 C-N-CA 125.489 1.516 . . . . 0.0 111.166 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.82 -51.17 70.69 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.153 0.888 . . . . 0.0 111.165 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -67.22 -48.27 68.35 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.378 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -61.26 -38.74 87.79 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.146 0.884 . . . . 0.0 111.52 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.79 -44.69 73.09 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.77 0.828 . . . . 0.0 111.296 178.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.8 99.14 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.428 1.013 . . . . 0.0 112.059 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -57.33 -43.08 83.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.634 1.174 . . . . 0.0 110.889 173.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -61.04 -53.71 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.343 1.057 . . . . 0.0 112.629 170.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mt -54.72 -18.92 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 126.331 1.852 . . . . 0.0 113.643 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -48.52 -36.43 15.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.373 1.469 . . . . 0.0 113.624 166.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.8 p -151.87 -12.1 0.19 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.37 152.64 36.21 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 119.67 1.123 . . . . 0.0 112.428 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -85.55 116.49 23.88 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.576 1.15 . . . . 0.0 111.861 -171.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -123.39 175.17 6.89 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.237 1.815 . . . . 0.0 113.716 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -146.17 148.83 32.95 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.823 2.049 . . . . 0.0 110.576 173.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.7 mt -136.86 129.7 30.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.509 1.523 . . . . 0.0 113.543 -168.365 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.76 150.18 26.39 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 123.991 0.805 . . . . 0.0 112.195 177.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.94 -57.9 10.13 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -165.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -55.01 -43.02 73.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.056 0.942 . . . . 0.0 111.686 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -57.7 -57.57 12.15 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.543 1.537 . . . . 0.0 111.465 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.251 8.4 t -59.96 -51.24 70.52 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-O 117.315 -1.326 . . . . 0.0 110.464 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG13 ' CE2' ' A' ' 59' ' ' TYR . 70.0 t -49.81 -51.51 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 121.394 1.906 . . . . 0.0 112.552 177.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -56.08 -50.55 70.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.551 0.74 . . . . 0.0 111.699 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -60.24 -48.34 82.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.544 1.538 . . . . 0.0 112.39 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 mt -67.67 -34.76 77.57 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.662 1.185 . . . . 0.0 111.843 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -74.7 -35.57 62.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.385 -0.817 . . . . 0.0 112.924 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -106.17 -13.21 15.49 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -173.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.45 174.07 22.75 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 120.293 1.406 . . . . 0.0 115.044 -169.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 73.04 2.06 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.491 1.516 . . . . 0.0 111.603 -174.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.0 p -56.09 152.68 10.17 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.897 1.279 . . . . 0.0 112.614 167.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.81 -32.71 0.48 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 166.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 43' ' ' ILE . 1.3 tm? -142.12 131.14 23.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.783 1.233 . . . . 0.0 109.657 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.2 pt -112.93 147.0 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.798 0.839 . . . . 0.0 111.82 171.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.678 HG21 HD22 ' A' ' 77' ' ' LEU . 21.1 mm -122.72 125.15 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 124.796 1.239 . . . . 0.0 109.566 172.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -102.45 88.0 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 164.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -106.2 57.53 0.66 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 122.929 1.347 . . . . 0.0 109.546 163.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.94 140.13 29.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.705 1.602 . . . . 0.0 107.481 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.74 77.27 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.007 1.723 . . . . 0.0 112.391 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.3 m -106.45 121.45 45.23 Favored Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 127.361 2.265 . . . . 0.0 110.669 -162.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.82 167.89 25.34 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.057 2.505 . . . . 0.0 112.594 176.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.1 t -52.81 -51.33 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.679 1.592 . . . . 0.0 113.014 -170.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.4 mt -57.6 -50.35 73.43 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.876 0.762 . . . . 0.0 111.371 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -48.32 82.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.736 2.014 . . . . 0.0 111.612 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -61.77 -44.38 97.01 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 118.704 -0.665 . . . . 0.0 109.331 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -58.38 -34.49 70.77 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-O 118.528 -0.749 . . . . 0.0 112.323 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -66.95 -48.16 69.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.125 0.875 . . . . 0.0 111.477 173.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mt -58.99 -45.59 90.27 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 122.056 0.931 . . . . 0.0 112.447 175.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.58 -37.79 79.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.295 2.238 . . . . 0.0 111.563 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -61.98 -47.26 85.63 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.128 1.371 . . . . 0.0 111.632 170.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CE2' HG13 ' A' ' 31' ' ' VAL . 31.4 m-85 -66.43 -34.61 78.33 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.411 1.005 . . . . 0.0 113.107 176.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.03 83.0 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.918 0.781 . . . . 0.0 112.134 168.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.31 -42.04 94.74 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.477 1.511 . . . . 0.0 112.497 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.77 -68.25 0.36 Allowed 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.66 1.184 . . . . 0.0 110.735 172.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.9 p -79.89 62.46 4.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.243 1.817 . . . . 0.0 111.37 -172.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -33.89 98.03 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.303 2.241 . . . . 0.0 113.466 -145.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -141.63 149.33 40.52 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.487 1.915 . . . . 0.0 112.24 -162.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -86.39 149.41 25.03 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.959 0.904 . . . . 0.0 111.232 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 t -114.09 152.22 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.139 1.376 . . . . 0.0 111.384 -174.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -140.46 149.96 43.2 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.716 1.207 . . . . 0.0 111.85 171.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -129.97 120.22 24.45 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 125.393 1.477 . . . . 0.0 110.857 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.532 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 1.3 t80 . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 125.026 1.331 . . . . 0.0 110.107 -167.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.678 HD22 HG21 ' A' ' 43' ' ' ILE . 29.3 tp . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.68 -31.64 7.51 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.855 0.752 . . . . 0.0 112.085 162.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 m -54.39 -44.81 72.61 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.707 1.603 . . . . 0.0 112.08 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -58.47 4.36 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.04 0.936 . . . . 0.0 111.146 168.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 -154.683 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.29 157.9 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.395 1.478 . . . . 0.0 109.031 -170.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.6 m -145.53 154.05 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 120.168 -1.582 . . . . 0.0 110.323 158.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.7 mm -122.72 137.04 57.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 125.855 1.662 . . . . 0.0 108.625 -177.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.37 -63.79 1.34 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.039 1.735 . . . . 0.0 109.645 -171.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -121.93 93.28 3.95 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.081 1.352 . . . . 0.0 109.335 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.75 62.84 0.59 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.881 -0.512 . . . . 0.0 111.504 169.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.8 37.85 0.62 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.704 1.621 . . . . 0.0 113.51 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -141.46 -88.58 0.16 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.0 1.72 . . . . 0.0 109.505 -170.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -110.23 166.24 11.12 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 123.272 1.511 . . . . 0.0 113.146 165.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -53.39 4.2 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.961 1 C-N-CA 134.703 5.201 . . . . 0.0 119.868 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.9 tt -51.47 -50.93 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 121.801 2.091 . . . . 0.0 113.974 -161.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.36 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 176.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 119.085 -0.483 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -45.64 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 117.647 -1.168 . . . . 0.0 110.336 173.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -52.23 -59.19 4.68 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.918 1.235 . . . . 0.0 112.06 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.34 -55.73 28.19 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.807 1.243 . . . . 0.0 111.013 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -68.08 -32.95 73.64 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -71.42 -38.38 71.4 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.628 174.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.71 98.16 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.374 0.988 . . . . 0.0 112.056 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.6 -46.88 67.18 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.408 1.083 . . . . 0.0 110.577 171.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.8 t -58.58 -56.62 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.984 0.914 . . . . 0.0 111.843 171.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.86 -14.29 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.54 1.936 . . . . 0.0 114.312 -178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -48.02 -42.84 29.17 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.02 1.328 . . . . 0.0 112.786 163.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.5 p -147.77 -12.66 0.38 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.102 1.889 . . . . 0.0 116.102 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.5 130.08 9.6 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.088 1.327 . . . . 0.0 110.925 173.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 139.02 38.7 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 122.371 -0.488 . . . . 0.0 110.624 -171.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -135.63 172.94 12.29 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.681 1.192 . . . . 0.0 113.748 -173.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -143.76 157.56 44.3 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.533 1.933 . . . . 0.0 111.147 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.9 mt -141.47 128.7 20.99 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.734 1.613 . . . . 0.0 112.951 -168.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.4 154.12 26.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.404 1.002 . . . . 0.0 113.311 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.443 ' CE1' HD21 ' A' ' 56' ' ' LEU . 26.7 t80 -52.96 -58.5 6.74 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.718 1.207 . . . . 0.0 113.926 -161.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -58.0 -42.86 86.06 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.242 0.617 . . . . 0.0 111.994 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -59.95 -50.48 73.58 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 126.565 1.946 . . . . 0.0 112.537 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.266 9.7 t -61.23 -62.66 1.68 Allowed 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 116.315 -1.802 . . . . 0.0 109.162 170.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.2 t -44.72 -50.36 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 121.599 1.999 . . . . 0.0 113.119 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.43 -58.29 6.06 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.863 1.265 . . . . 0.0 111.272 171.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -63.95 -35.67 81.44 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.625 1.57 . . . . 0.0 114.072 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.36 -42.92 78.49 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.719 0.808 . . . . 0.0 110.366 174.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -66.61 -22.87 66.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.996 0.918 . . . . 0.0 112.968 174.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -76.32 -2.98 34.27 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.584 1.153 . . . . 0.0 114.04 164.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.5 -19.39 0.88 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.792 1.663 . . . . 0.0 116.648 171.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -12.41 47.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.482 1.913 . . . . 0.0 114.065 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -59.52 153.28 19.92 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.909 1.284 . . . . 0.0 113.181 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? -138.72 -21.97 0.98 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 173.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -145.8 137.68 25.23 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.566 1.147 . . . . 0.0 109.907 170.81 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 pt -114.3 139.06 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.111 1.365 . . . . 0.0 110.943 168.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.446 HD11 HD11 ' A' ' 41' ' ' LEU . 29.3 mm -114.84 130.82 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.761 1.225 . . . . 0.0 108.508 170.046 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mt -119.47 107.46 21.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.36 80.99 1.4 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.42 1.088 . . . . 0.0 111.582 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.39 175.92 9.75 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.231 1.012 . . . . 0.0 110.915 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -72.04 41.87 0.08 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.052 1.341 . . . . 0.0 111.494 162.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -54.46 110.36 2.09 Favored Pre-proline 0 N--CA 1.469 0.503 0 C-N-CA 126.645 1.978 . . . . 0.0 112.973 -151.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.36 145.81 76.44 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.252 2.635 . . . . 0.0 112.373 171.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.62 -44.54 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.308 1.043 . . . . 0.0 112.101 -175.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.64 -39.83 94.38 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.816 0.735 . . . . 0.0 111.726 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -47.07 68.4 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.358 1.063 . . . . 0.0 110.546 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -61.08 -44.66 97.02 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 118.821 -0.609 . . . . 0.0 109.469 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -56.18 -43.74 78.69 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.512 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.92 -46.31 85.34 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.658 1.117 . . . . 0.0 112.24 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.443 HD21 ' CE1' ' A' ' 27' ' ' TYR . 6.9 mt -57.64 -45.98 84.76 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 122.173 0.987 . . . . 0.0 113.253 175.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.5 -38.45 91.18 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.555 2.342 . . . . 0.0 111.794 175.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -60.14 -45.35 93.34 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.122 1.369 . . . . 0.0 111.179 170.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -68.04 -39.24 83.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.196 0.907 . . . . 0.0 113.253 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.17 -36.98 63.97 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.233 0.924 . . . . 0.0 112.882 169.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.3 ttp -79.52 -37.3 36.91 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.162 2.185 . . . . 0.0 114.422 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 mt -67.56 -54.49 19.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.087 1.355 . . . . 0.0 111.003 174.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.8 p -61.73 -176.18 0.08 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.123 0.569 . . . . 0.0 110.122 158.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.36 87.85 2.83 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.169 -1.582 . . . . 0.0 108.454 172.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.3 m -142.69 137.05 29.61 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.301 1.44 . . . . 0.0 110.321 -156.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.98 150.02 34.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.514 1.126 . . . . 0.0 110.502 175.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -115.94 140.06 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.752 1.221 . . . . 0.0 110.575 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -132.6 139.85 47.98 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.944 0.897 . . . . 0.0 112.983 164.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -104.64 87.66 2.74 Favored 'General case' 0 C--N 1.337 0.065 0 C-N-CA 125.52 1.528 . . . . 0.0 110.75 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 CA--C 1.546 0.82 0 C-N-CA 126.338 1.855 . . . . 0.0 108.073 169.097 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.98 -32.87 56.65 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 119.265 0.939 . . . . 0.0 114.754 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -70.76 -32.16 69.21 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.107 1.453 . . . . 0.0 111.777 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.8 78.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.582 0.753 . . . . 0.0 111.789 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 123.289 0.635 . . . . 0.0 112.623 176.611 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.468 0.474 0 CA-C-O 121.109 0.48 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 t -129.66 155.11 41.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 126.676 1.99 . . . . 0.0 108.046 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.1 m -146.84 146.15 30.11 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.26 -1.525 . . . . 0.0 111.062 162.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.0 mm -101.9 136.31 34.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 126.331 1.852 . . . . 0.0 108.411 174.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.47 -95.74 0.42 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.62 1.968 . . . . 0.0 109.682 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -81.93 79.89 8.35 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.754 1.622 . . . . 0.0 109.146 -173.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.35 51.79 0.07 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.107 2.563 . . . . 0.0 114.735 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.05 32.51 0.41 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.794 1.188 . . . . 0.0 114.547 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -142.1 -95.08 0.13 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.569 1.148 . . . . 0.0 111.939 -168.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.0 t -109.84 152.43 25.77 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 123.928 1.823 . . . . 0.0 114.255 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -54.61 4.53 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.816 1 C-N-CA 135.319 5.448 . . . . 0.0 117.921 170.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.5 tt -51.16 -39.61 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 121.513 1.96 . . . . 0.0 112.628 -170.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.484 0 C-N-CA 128.961 2.904 . . . . 0.0 116.456 171.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -53.46 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 118.985 -0.531 . . . . 0.0 109.658 169.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -56.65 -52.91 63.07 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.355 1.062 . . . . 0.0 111.61 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -56.99 -56.28 23.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.833 1.253 . . . . 0.0 112.016 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -67.92 -31.39 71.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.779 0.718 . . . . 0.0 112.002 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 tt -68.96 -39.04 79.73 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.34 -0.85 . . . . 0.0 111.794 173.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -61.54 -46.42 90.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.675 1.125 . . . . 0.0 111.613 170.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.39 -34.35 64.27 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.788 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.443 HG21 HG22 ' A' ' 100' ' ' ILE . 28.2 t -70.98 -58.73 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.888 1.222 . . . . 0.0 111.614 168.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -48.35 -30.71 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.323 1.849 . . . . 0.0 114.004 -176.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -58.01 -19.82 33.95 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 p -142.15 -24.87 0.67 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 167.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.9 146.12 27.91 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.882 1.23 . . . . 0.0 112.888 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.4 119.91 23.08 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.869 0.868 . . . . 0.0 111.209 -171.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -120.59 171.53 8.5 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.81 1.644 . . . . 0.0 113.167 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -143.34 152.23 41.39 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.73 2.012 . . . . 0.0 110.378 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.3 mt -139.06 125.83 20.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.026 1.33 . . . . 0.0 113.97 -165.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.99 152.45 24.06 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.632 1.111 . . . . 0.0 113.097 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.456 ' CE2' HD21 ' A' ' 56' ' ' LEU . 31.9 t80 -50.39 -59.74 3.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.877 1.271 . . . . 0.0 113.019 -164.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -52.35 -47.97 65.78 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.34 1.056 . . . . 0.0 112.254 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.95 -56.51 21.27 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.964 1.706 . . . . 0.0 111.847 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -59.35 -55.86 29.44 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.457 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.438 HG22 ' CE2' ' A' ' 59' ' ' TYR . 70.5 t -50.04 -46.31 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 121.719 2.054 . . . . 0.0 112.966 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -56.11 -52.49 64.13 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.026 0.83 . . . . 0.0 112.178 170.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 m -58.24 -43.4 87.76 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.064 1.746 . . . . 0.0 113.134 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.1 mt -70.7 -41.43 71.96 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.45 1.5 . . . . 0.0 110.921 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -62.8 -28.05 69.73 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.847 0.748 . . . . 0.0 112.534 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.76 4.47 11.61 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.166 1.387 . . . . 0.0 114.167 166.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.04 -32.37 1.51 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.223 1.868 . . . . 0.0 116.584 162.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -74.94 15.44 0.39 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -167.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.6 p -75.66 164.69 26.03 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.873 -1.142 . . . . 0.0 112.431 172.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -132.54 -22.77 2.14 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 158.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -141.15 134.61 29.83 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.04 0.837 . . . . 0.0 110.738 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.6 pt -113.01 137.89 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.673 1.189 . . . . 0.0 111.077 167.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.454 HD11 HD11 ' A' ' 41' ' ' LEU . 37.8 mm -108.06 129.87 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 C-N-CA 124.982 1.313 . . . . 0.0 107.772 169.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.0 mt -118.1 97.93 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 172.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -106.85 53.33 0.7 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.839 1.656 . . . . 0.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.8 155.18 39.65 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.637 -0.665 . . . . 0.0 111.915 -174.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -61.69 62.93 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 129.571 3.149 . . . . 0.0 113.251 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.5 m -94.36 115.1 64.86 Favored Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 125.545 1.538 . . . . 0.0 111.56 -157.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.48 152.71 25.57 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.283 2.655 . . . . 0.0 113.578 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.27 -41.53 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.918 0.887 . . . . 0.0 112.597 -173.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.4 -19.03 63.04 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.195 -0.941 . . . . 0.0 112.547 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -43.6 9.91 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.403 1.081 . . . . 0.0 110.11 -178.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -42.82 95.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 119.139 -0.457 . . . . 0.0 110.821 167.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.7 m -60.45 -43.81 96.47 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.33 -0.843 . . . . 0.0 112.583 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -63.56 -42.59 98.35 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 120.071 1.305 . . . . 0.0 112.811 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.456 HD21 ' CE2' ' A' ' 27' ' ' TYR . 5.5 mt -60.8 -44.72 96.48 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.242 -0.911 . . . . 0.0 113.361 174.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -62.75 -36.41 82.97 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 125.602 1.561 . . . . 0.0 112.237 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -62.5 -46.79 86.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.399 1.08 . . . . 0.0 111.459 169.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' CE2' HG22 ' A' ' 31' ' ' VAL . 25.2 m-85 -62.69 -43.44 98.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.481 1.037 . . . . 0.0 112.328 173.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.41 -47.0 69.95 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.095 0.861 . . . . 0.0 112.133 171.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.9 ttp -59.59 -37.13 77.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.158 1.383 . . . . 0.0 112.698 173.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.45 -65.54 0.67 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.701 1.137 . . . . 0.0 111.425 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.7 p -77.33 53.71 1.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.434 1.894 . . . . 0.0 113.19 -169.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -31.92 96.43 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.12 1.768 . . . . 0.0 112.837 -136.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -137.26 148.33 46.36 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.968 2.507 . . . . 0.0 111.26 -161.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -87.09 150.33 24.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.812 1.245 . . . . 0.0 111.544 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.84 137.08 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.827 1.651 . . . . 0.0 110.661 173.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -128.34 112.98 15.03 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.574 1.15 . . . . 0.0 111.716 167.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -79.94 85.86 5.51 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.901 1.28 . . . . 0.0 111.536 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.9 OUTLIER . . . . . 0 CA--C 1.545 0.762 0 C-N-CA 125.112 1.365 . . . . 0.0 110.986 177.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.62 -32.62 32.29 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 124.961 1.267 . . . . 0.0 112.614 168.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.3 m -56.76 -31.75 64.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.469 1.908 . . . . 0.0 112.504 173.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.5 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -90.27 -50.74 5.8 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 124.242 1.017 . . . . 0.0 112.751 175.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -170.326 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 121.407 0.622 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.4 t -130.72 156.8 42.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 127.04 2.136 . . . . 0.0 107.588 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 m -147.95 157.33 43.46 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 119.825 -1.797 . . . . 0.0 111.099 165.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -122.81 132.24 71.69 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 C-N-CA 126.293 1.837 . . . . 0.0 109.256 -174.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mp -114.51 -65.18 1.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.923 2.089 . . . . 0.0 111.78 -170.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.06 85.67 2.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.84 0.856 . . . . 0.0 109.77 -172.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.45 85.38 2.56 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 122.063 -0.398 . . . . 0.0 110.878 171.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.53 36.95 0.46 Allowed Glycine 0 CA--C 1.538 1.531 0 O-C-N 121.576 -0.703 . . . . 0.0 112.154 160.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -160.13 -154.81 0.41 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.893 1.677 . . . . 0.0 108.666 -155.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -54.64 148.88 11.71 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 124.596 2.141 . . . . 0.0 113.918 171.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -53.09 -4.12 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.723 1 C-N-CA 134.026 4.93 . . . . 0.0 117.636 174.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.443 HG22 HG21 ' A' ' 17' ' ' VAL . 8.5 tt -55.66 -32.43 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.306 1.412 . . . . 0.0 113.331 -164.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.262 1.1 pt? . . . . . 0 CA--C 1.539 0.527 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -73.22 11.8 0.9 Allowed 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 124.226 3.284 . . . . 0.0 115.774 -164.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.04 -41.47 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.063 1.345 . . . . 0.0 109.458 160.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -77.97 71.77 4.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.939 0.876 . . . . 0.0 109.577 161.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -62.39 -5.4 2.45 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -165.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -32.33 1.77 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.396 1.078 . . . . 0.0 112.486 158.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -51.52 -31.39 23.83 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 127.812 2.445 . . . . 0.0 114.225 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -60.5 -5.29 1.14 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 172.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -42.62 49.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 119.554 1.07 . . . . 0.0 109.629 159.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -54.46 -49.93 68.91 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.474 1.51 . . . . 0.0 111.749 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -57.83 -53.66 55.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.5 1.12 . . . . 0.0 111.112 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 56.7 tttp -64.79 -36.69 85.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.076 0.55 . . . . 0.0 112.364 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.07 -38.77 72.45 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.084 0.954 . . . . 0.0 112.429 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.76 -43.26 89.41 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.805 1.184 . . . . 0.0 111.536 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -51.63 -42.32 61.94 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.813 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 t -64.51 -59.0 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.698 1.199 . . . . 0.0 112.969 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -54.49 -19.7 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.693 1.997 . . . . 0.0 113.693 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -47.13 -35.23 6.91 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.892 1.677 . . . . 0.0 113.462 165.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.5 p -150.36 -16.46 0.24 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.36 152.22 35.68 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.884 1.23 . . . . 0.0 111.905 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -94.51 138.06 32.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.836 0.827 . . . . 0.0 113.15 -163.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -141.16 174.33 10.64 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.4 1.48 . . . . 0.0 113.627 -170.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -146.6 150.77 36.13 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.536 1.935 . . . . 0.0 110.723 173.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.9 mt -136.29 126.08 25.67 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.368 1.467 . . . . 0.0 114.248 -164.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.89 147.67 11.74 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 123.707 0.67 . . . . 0.0 112.599 177.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.484 ' CE2' HD21 ' A' ' 56' ' ' LEU . 40.7 t80 -44.82 -59.2 2.65 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.291 1.436 . . . . 0.0 113.112 -163.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -56.46 -39.68 73.59 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -71.02 -46.05 62.85 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 125.541 1.536 . . . . 0.0 112.523 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.255 5.2 t -60.15 -61.33 2.69 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 117.683 -1.151 . . . . 0.0 108.994 168.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' A' ' 27' ' ' TYR . 59.5 t -47.71 -45.69 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 120.174 1.352 . . . . 0.0 113.104 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -45.41 -69.62 0.13 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.783 1.233 . . . . 0.0 111.489 166.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.0 m -77.01 -15.15 59.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -171.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 HG22 ' A' ' 42' ' ' ILE . 48.9 mt -69.51 -42.83 74.21 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.078 0.854 . . . . 0.0 111.06 162.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -71.49 -20.13 62.11 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.793 0.724 . . . . 0.0 112.852 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -71.37 -6.9 43.57 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 160.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.87 3.92 81.35 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.283 1.42 . . . . 0.0 115.264 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -94.32 -4.39 48.75 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -153.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 p -83.52 161.16 21.32 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.614 1.565 . . . . 0.0 113.824 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -123.24 -16.12 7.02 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.947 1.299 . . . . 0.0 113.567 163.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -144.78 136.85 25.98 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 118.995 0.816 . . . . 0.0 111.207 173.758 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.604 HG23 HG21 ' A' ' 65' ' ' THR . 25.0 pt -111.33 135.69 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.045 1.338 . . . . 0.0 111.054 165.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.548 HG21 HD22 ' A' ' 77' ' ' LEU . 36.8 mm -102.1 132.19 48.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 167.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -124.21 91.62 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 170.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -91.05 70.79 6.34 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.97 0.89 . . . . 0.0 111.513 175.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.6 148.5 16.15 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.718 2.007 . . . . 0.0 109.255 167.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -71.95 70.88 0.78 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.489 1.138 . . . . 0.0 110.747 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.7 m -78.13 130.47 72.28 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 127.261 2.224 . . . . 0.0 111.384 -156.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.61 152.86 77.63 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.553 2.169 . . . . 0.0 112.216 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.1 t -51.84 -46.6 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.631 1.572 . . . . 0.0 113.124 -165.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.97 -26.55 65.1 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -40.7 11.57 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.413 -0.805 . . . . 0.0 110.201 -176.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -49.01 79.08 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 168.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 m -63.5 -36.96 85.48 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 117.602 -1.189 . . . . 0.0 112.967 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.25 -43.32 95.22 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.661 1.573 . . . . 0.0 112.498 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 27' ' ' TYR . 6.1 mt -59.67 -43.94 93.8 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.106 0.866 . . . . 0.0 113.099 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.08 -40.36 93.4 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.72 2.008 . . . . 0.0 111.837 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -61.44 -46.49 89.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.102 1.361 . . . . 0.0 111.403 172.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -66.41 -36.71 83.51 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.114 -0.991 . . . . 0.0 112.935 173.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.97 -35.68 71.51 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.812 0.845 . . . . 0.0 113.039 170.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.7 ttp -78.31 -34.83 48.44 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.003 2.121 . . . . 0.0 114.031 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.93 -53.18 22.35 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.907 1.283 . . . . 0.0 111.35 173.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.5 p -62.29 -174.11 0.05 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.906 0.883 . . . . 0.0 110.309 156.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -121.82 75.75 1.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 O-C-N 119.529 -1.982 . . . . 0.0 109.573 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.604 HG21 HG23 ' A' ' 42' ' ' ILE . 86.5 m -132.54 133.56 43.88 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 114.434 -1.257 . . . . 0.0 111.222 -155.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -79.67 149.93 31.08 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.239 0.615 . . . . 0.0 110.937 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -113.2 128.86 69.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.539 1.136 . . . . 0.0 110.199 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -125.04 103.73 8.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.465 1.106 . . . . 0.0 111.062 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -79.49 87.97 5.08 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.877 1.271 . . . . 0.0 111.188 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.446 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER -79.81 46.28 0.77 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.307 1.443 . . . . 0.0 108.68 174.48 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -74.79 -2.45 26.65 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -153.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -56.39 109.22 1.44 Allowed Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.939 1.257 . . . . 0.0 111.073 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.74 -32.57 2.17 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.672 2.082 . . . . 0.0 115.874 -169.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -38.85 -43.14 0.91 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.344 2.258 . . . . 0.0 113.815 167.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . 0.263 5.3 p30 36.95 66.42 0.42 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 128.571 2.748 . . . . 0.0 114.025 -169.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -61.02 -15.22 29.57 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.548 HD22 HG21 ' A' ' 43' ' ' ILE . 14.8 tp -48.35 -29.46 3.98 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.062 2.145 . . . . 0.0 113.807 170.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.51 -17.35 19.16 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 121.595 -0.691 . . . . 0.0 113.923 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -63.96 -38.65 91.86 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.687 1.195 . . . . 0.0 111.835 169.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.06 -26.14 59.15 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.758 1.223 . . . . 0.0 114.067 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.82 -3.79 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -164.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.73 91.65 1.77 Allowed Glycine 0 CA--C 1.528 0.857 0 CA-C-N 119.13 0.877 . . . . 0.0 111.467 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -47.98 -10.09 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 129.297 3.039 . . . . 0.0 117.987 -169.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.53 -32.99 29.98 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.833 2.053 . . . . 0.0 114.45 -176.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -61.53 -24.57 66.71 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.198 0.999 . . . . 0.0 113.682 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . 0.443 0.0 OUTLIER 36.16 6.37 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 1 C-N-CA 133.708 4.803 . . . . 0.0 119.896 -169.224 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.7 m -122.63 147.0 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.424 1.89 . . . . 0.0 107.466 147.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.31 72.94 0.21 Allowed Glycine 0 N--CA 1.467 0.753 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.011 -166.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.7 p -93.65 116.65 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 117.697 0.749 . . . . 0.0 110.337 170.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.5 t -135.83 158.46 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.824 1.649 . . . . 0.0 108.432 -172.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m -146.93 151.41 36.98 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 119.753 -1.842 . . . . 0.0 110.634 166.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.4 mm -123.22 133.51 68.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 C-N-CA 125.771 1.628 . . . . 0.0 109.588 -172.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 mp -115.57 -106.89 0.38 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.355 2.662 . . . . 0.0 108.517 -169.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.54 82.09 3.23 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.831 -1.168 . . . . 0.0 110.698 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 51.99 0.07 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.066 1.746 . . . . 0.0 113.285 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.49 47.68 1.16 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.633 1.587 . . . . 0.0 113.972 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -144.51 -83.99 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.713 1.605 . . . . 0.0 110.171 -174.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -108.38 155.16 20.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 123.355 1.55 . . . . 0.0 111.914 163.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -52.41 -1.1 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 1 C-N-CA 135.128 5.371 . . . . 0.0 117.586 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.416 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 13.8 tt -45.25 -49.2 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 120.087 1.312 . . . . 0.0 114.369 -157.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.56 -0.84 56.18 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -173.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 t -106.82 0.36 23.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.029 1.332 . . . . 0.0 113.203 157.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 20.1 m -96.15 -41.63 8.61 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.237 1.415 . . . . 0.0 110.665 169.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.66 4.32 1.97 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.285 1.834 . . . . 0.0 114.297 168.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 N-CA-C 117.647 2.462 . . . . 0.0 117.647 -129.954 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -81.27 11.87 2.89 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 124.538 3.492 . . . . 0.0 113.892 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -58.91 132.47 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.183 1.393 . . . . 0.0 113.021 -162.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -90.53 3.0 55.23 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 131.298 3.839 . . . . 0.0 113.883 -8.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.22 107.67 0.08 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.526 2.73 . . . . 0.0 114.921 -163.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -24.21 52.74 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 -159.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -74.34 -46.4 41.06 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.441 1.496 . . . . 0.0 111.266 166.681 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -65.15 -39.88 93.59 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 125.551 1.54 . . . . 0.0 111.91 -172.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -48.35 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.419 177.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.96 -59.42 5.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.172 0.989 . . . . 0.0 110.228 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -63.46 -47.06 83.41 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -63.34 -34.85 78.6 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.652 -0.655 . . . . 0.0 111.892 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.25 -44.59 79.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.422 -0.799 . . . . 0.0 111.185 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.68 90.82 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.508 1.049 . . . . 0.0 112.076 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tt -54.47 -50.28 68.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.647 1.579 . . . . 0.0 111.125 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -55.97 -48.95 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.089 0.956 . . . . 0.0 112.404 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mt -54.72 -20.46 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 125.398 1.479 . . . . 0.0 113.762 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -57.0 -30.43 64.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.554 1.525 . . . . 0.0 113.363 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.9 p -150.85 -4.99 0.3 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -175.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.32 165.53 34.2 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.636 1.112 . . . . 0.0 113.535 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -93.8 112.9 24.84 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.754 1.222 . . . . 0.0 110.779 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -128.16 174.69 9.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.751 1.22 . . . . 0.0 113.802 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -148.05 148.92 31.2 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.286 1.835 . . . . 0.0 110.762 174.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -137.56 129.89 29.43 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.603 1.561 . . . . 0.0 113.766 -166.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.72 149.23 24.46 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.773 0.701 . . . . 0.0 111.791 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 35.2 t80 -57.01 -53.41 58.38 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -163.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -54.0 -46.89 71.88 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.396 1.078 . . . . 0.0 111.372 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -58.65 -53.18 61.3 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.73 1.612 . . . . 0.0 112.074 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.268 7.7 t -60.52 -56.59 19.55 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 116.734 -1.603 . . . . 0.0 110.185 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.4 t -48.25 -51.5 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 121.602 2.001 . . . . 0.0 112.755 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -49.93 -57.74 6.86 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.046 1.338 . . . . 0.0 111.19 171.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 m -61.78 -44.23 97.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.836 1.254 . . . . 0.0 112.757 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.5 mt -65.13 -39.64 93.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.533 1.133 . . . . 0.0 111.373 176.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -66.11 -35.62 80.99 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.795 0.838 . . . . 0.0 112.63 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -73.29 -40.85 64.22 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.71 -171.85 38.55 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 117.159 1.623 . . . . 0.0 117.159 -169.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.47 89.66 0.15 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.265 1.826 . . . . 0.0 112.934 -171.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -64.18 171.95 2.72 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.276 -0.89 . . . . 0.0 111.213 150.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -134.66 -24.02 1.56 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 164.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -143.68 129.81 19.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.138 1.775 . . . . 0.0 108.75 178.331 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.697 HG23 HG21 ' A' ' 65' ' ' THR . 13.0 pt -113.12 150.49 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.738 0.699 . . . . 0.0 111.364 166.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.605 HD11 HD11 ' A' ' 41' ' ' LEU . 17.5 mm -120.54 135.07 61.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 124.769 1.227 . . . . 0.0 109.694 175.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.11 92.2 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.636 0.732 . . . . 0.0 109.066 164.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -109.36 55.24 0.64 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.359 2.263 . . . . 0.0 109.275 165.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.5 159.54 43.95 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.768 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -66.54 55.74 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 129.375 3.07 . . . . 0.0 112.446 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.3 m -105.49 101.5 32.2 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 129.629 3.172 . . . . 0.0 109.876 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.31 174.13 12.61 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.586 2.858 . . . . 0.0 114.227 -168.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.2 t -51.8 -44.99 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 126.225 1.81 . . . . 0.0 114.744 -164.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.95 -39.27 72.71 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.715 1.143 . . . . 0.0 111.732 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -68.11 -46.76 70.01 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 127.203 2.201 . . . . 0.0 111.583 -175.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -57.04 -45.05 83.45 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -75.56 -25.15 56.86 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 122.824 0.45 . . . . 0.0 111.756 -168.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.45 -49.91 73.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.818 160.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.45 -44.66 76.6 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 120.424 1.466 . . . . 0.0 112.868 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.74 -47.26 77.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.682 2.393 . . . . 0.0 111.035 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.5 -49.85 75.93 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.003 1.321 . . . . 0.0 112.204 172.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -62.94 -40.79 98.73 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.195 -0.941 . . . . 0.0 112.089 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.83 91.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.009 0.924 . . . . 0.0 112.679 170.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -57.87 -38.44 75.72 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.785 0.834 . . . . 0.0 111.982 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.11 -68.22 0.38 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.77 1.168 . . . . 0.0 111.645 170.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.4 p -77.18 66.76 3.03 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.323 1.449 . . . . 0.0 111.578 -175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -33.91 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.535 2.334 . . . . 0.0 114.834 -146.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.697 HG21 HG23 ' A' ' 42' ' ' ILE . 3.5 m -134.57 147.28 50.23 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.418 1.887 . . . . 0.0 111.95 -165.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.13 153.62 21.38 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.375 0.67 . . . . 0.0 111.203 172.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.37 96.69 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 125.753 1.621 . . . . 0.0 109.96 -171.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.412 ' HB3' HD13 ' A' ' 43' ' ' ILE . 41.9 t80 -83.36 102.37 11.96 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.772 0.796 . . . . 0.0 110.435 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -79.03 122.8 26.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.784 0.802 . . . . 0.0 111.576 173.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.438 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -134.06 26.71 3.9 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.408 2.683 . . . . 0.0 107.932 -178.434 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -75.04 30.76 0.09 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.903 2.081 . . . . 0.0 113.834 -169.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.73 60.87 1.64 Allowed Glycine 0 CA--C 1.532 1.155 0 O-C-N 120.29 -1.506 . . . . 0.0 111.39 170.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.63 -82.89 0.35 Allowed Glycine 0 CA--C 1.538 1.518 0 C-N-CA 127.376 2.417 . . . . 0.0 111.705 -168.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -134.32 -66.18 0.62 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.424 2.69 . . . . 0.0 111.4 -0.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 63.82 2.94 1.45 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.91 2.084 . . . . 0.0 115.772 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -73.3 -16.72 61.37 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.154 1.343 . . . . 0.0 112.761 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.583 HD22 HG21 ' A' ' 43' ' ' ILE . 36.5 tp -59.38 -15.82 19.01 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.224 -0.922 . . . . 0.0 112.488 161.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.55 -40.09 23.83 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 118.185 -1.342 . . . . 0.0 112.569 161.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.3 m -55.15 -31.43 61.31 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.25 2.025 . . . . 0.0 112.804 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.0 -65.67 0.74 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.977 0.808 . . . . 0.0 111.583 162.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 m -90.99 -10.83 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -154.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.71 -4.84 0.05 OUTLIER Glycine 0 CA--C 1.535 1.324 0 N-CA-C 117.835 1.894 . . . . 0.0 117.835 -177.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.25 -70.53 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 131.073 3.749 . . . . 0.0 114.08 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.494 HD23 ' H ' ' A' ' 84' ' ' LEU . 2.0 pt? -82.12 -34.55 29.18 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.381 1.472 . . . . 0.0 113.407 171.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -94.24 127.86 40.35 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.414 1.006 . . . . 0.0 110.754 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -140.78 86.33 2.04 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.618 1.167 . . . . 0.0 112.015 -152.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -139.97 103.72 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.989 1.716 . . . . 0.0 107.467 165.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.59 43.22 3.13 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-N 120.562 1.528 . . . . 0.0 114.481 -165.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 p -100.32 108.7 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 118.202 1.001 . . . . 0.0 109.348 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.2 t -134.48 156.94 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.665 1.186 . . . . 0.0 109.466 -164.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.8 m -147.47 148.82 31.65 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 120.541 -1.35 . . . . 0.0 110.935 163.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.0 mm -120.87 132.51 70.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 125.853 1.661 . . . . 0.0 108.722 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.92 -58.37 2.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.256 1.822 . . . . 0.0 110.033 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -131.63 113.34 13.48 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.051 1.741 . . . . 0.0 109.084 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.89 73.04 1.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.581 0.752 . . . . 0.0 111.874 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.5 44.96 0.36 Allowed Glycine 0 CA--C 1.535 1.326 0 C-N-CA 126.66 2.076 . . . . 0.0 115.303 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -158.24 -81.87 0.06 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.205 1.402 . . . . 0.0 111.232 164.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -107.95 163.31 13.24 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.39 1.476 . . . . 0.0 113.288 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -64.77 12.22 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.811 2.844 . . . . 0.0 117.495 -162.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.8 tt -49.59 -43.5 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 120.003 1.274 . . . . 0.0 114.28 -157.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.251 0.2 OUTLIER -91.09 -4.62 56.1 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -175.355 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.6 p -57.04 -82.17 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.69 1.596 . . . . 0.0 113.157 -174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.9 p -74.51 15.1 0.38 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.981 1.712 . . . . 0.0 113.385 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.28 -12.32 17.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.508 2.323 . . . . 0.0 112.841 172.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.515 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -157.726 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 118.757 -0.639 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.02 37.85 0.65 Allowed 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 125.022 3.815 . . . . 0.0 114.375 -164.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t -66.46 139.7 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 124.961 1.304 . . . . 0.0 110.475 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -55.34 147.95 15.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.318 1.447 . . . . 0.0 110.713 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -93.27 21.59 5.88 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 130.689 3.595 . . . . 0.0 114.92 -9.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -59.17 -28.59 66.75 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -171.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.3 -29.36 70.45 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.872 0.869 . . . . 0.0 112.741 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -79.31 -42.0 26.74 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.487 1.515 . . . . 0.0 112.904 -174.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -50.53 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 118.935 0.789 . . . . 0.0 108.959 169.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -55.94 9.79 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.731 1.612 . . . . 0.0 111.929 170.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.87 -47.39 85.21 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.178 0.991 . . . . 0.0 112.541 -177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.94 -40.86 98.94 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.572 0.749 . . . . 0.0 111.38 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.9 -39.73 94.87 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.736 0.815 . . . . 0.0 111.846 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.635 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -61.98 -48.52 79.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.552 1.069 . . . . 0.0 112.016 172.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -53.67 -43.79 69.15 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 124.674 1.19 . . . . 0.0 110.461 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -59.92 -57.56 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.276 1.03 . . . . 0.0 112.416 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mt -50.74 -29.37 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.317 1.847 . . . . 0.0 113.5 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -21.86 7.17 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 171.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 p -151.52 -14.04 0.2 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 163.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.35 157.83 43.03 Favored Glycine 0 CA--C 1.534 1.276 0 CA-C-N 119.949 1.25 . . . . 0.0 113.193 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -79.36 110.42 14.63 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.887 -0.773 . . . . 0.0 111.879 -171.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -118.41 173.34 6.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.07 1.348 . . . . 0.0 113.84 174.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -146.0 163.37 35.41 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.783 2.033 . . . . 0.0 110.954 171.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.9 mt -143.64 145.63 32.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.773 2.029 . . . . 0.0 111.716 -170.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.51 159.4 35.39 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.122 1.344 . . . . 0.0 113.013 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' CE1' HD21 ' A' ' 56' ' ' LEU . 79.4 t80 -65.6 -80.41 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -164.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -20.95 66.42 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.33 -1.481 . . . . 0.0 111.887 178.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.6 t -55.23 -56.34 21.09 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 127.133 2.173 . . . . 0.0 112.896 167.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 t -62.51 -45.58 92.36 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 116.723 -1.608 . . . . 0.0 110.535 172.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' CD2' ' A' ' 59' ' ' TYR . 93.6 t -47.49 -55.59 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 121.973 2.17 . . . . 0.0 112.672 176.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -50.64 58.7 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.624 1.97 . . . . 0.0 111.198 172.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -65.21 -41.14 94.76 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.918 1.287 . . . . 0.0 113.579 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.22 -29.87 71.12 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.668 1.987 . . . . 0.0 111.155 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -43.01 36.09 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.152 1.381 . . . . 0.0 112.825 170.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -63.6 -41.84 98.3 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.76 168.89 21.66 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.05 1.18 . . . . 0.0 116.05 -163.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -69.07 71.5 0.24 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.41 2.284 . . . . 0.0 112.077 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.5 p -62.12 152.29 33.31 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -142.18 -26.29 0.65 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 169.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -145.31 123.52 12.21 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.24 0.927 . . . . 0.0 109.907 -179.17 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.3 pt -106.05 144.78 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 118.748 0.704 . . . . 0.0 111.051 168.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.525 HD11 HD11 ' A' ' 41' ' ' LEU . 25.5 mm -110.65 134.47 52.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 125.118 1.367 . . . . 0.0 108.608 172.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mt -123.89 90.72 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.33 51.21 0.82 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.355 2.262 . . . . 0.0 110.416 172.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.78 168.37 19.83 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.335 1.454 . . . . 0.0 111.447 -172.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -68.37 55.22 0.08 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.782 2.033 . . . . 0.0 113.804 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.3 m -98.98 108.51 49.68 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 125.566 1.546 . . . . 0.0 112.026 -162.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -77.99 174.2 12.86 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.809 3.006 . . . . 0.0 112.573 172.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.4 t -53.02 -46.78 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.997 1.719 . . . . 0.0 113.451 -172.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.37 -44.96 89.75 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.259 0.936 . . . . 0.0 111.702 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -64.68 -45.52 86.33 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.612 1.165 . . . . 0.0 111.16 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -62.69 -43.07 99.74 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.244 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -56.72 -40.18 75.22 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.117 0.967 . . . . 0.0 111.893 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -55.61 32.27 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.885 0.766 . . . . 0.0 111.106 171.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.429 HD21 ' CE1' ' A' ' 27' ' ' TYR . 5.4 mt -57.78 -43.15 85.35 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.167 0.984 . . . . 0.0 112.992 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -62.44 -35.47 79.35 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 128.029 2.532 . . . . 0.0 112.208 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.19 -48.5 78.09 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.154 0.888 . . . . 0.0 111.596 168.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' CD2' HG22 ' A' ' 31' ' ' VAL . 39.0 m-85 -66.48 -30.63 71.01 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.154 -0.966 . . . . 0.0 113.348 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.73 71.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.966 1.306 . . . . 0.0 112.174 165.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -56.11 -41.61 75.51 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.808 1.243 . . . . 0.0 112.413 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.66 -78.75 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.328 1.051 . . . . 0.0 112.466 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 p -80.4 78.16 7.12 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.034 1.334 . . . . 0.0 109.374 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -35.34 100.39 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.326 2.25 . . . . 0.0 113.131 -152.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -137.25 146.05 44.31 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.689 2.396 . . . . 0.0 109.732 -165.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -87.41 155.01 20.22 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.286 0.493 . . . . 0.0 111.114 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.03 107.92 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 126.081 1.752 . . . . 0.0 110.157 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -95.83 101.69 13.4 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.888 0.851 . . . . 0.0 110.795 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -77.95 108.76 11.44 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.375 1.07 . . . . 0.0 110.613 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -123.6 10.65 9.1 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.196 1.798 . . . . 0.0 110.372 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -72.2 25.18 0.05 Allowed 'General case' 0 CA--C 1.548 0.89 0 O-C-N 119.541 -1.974 . . . . 0.0 115.84 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.6 46.42 0.54 Allowed Glycine 0 CA--C 1.534 1.251 0 C-N-CA 128.012 2.72 . . . . 0.0 116.213 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.3 48.11 60.14 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 118.711 1.256 . . . . 0.0 111.177 -171.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -127.05 155.77 42.73 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.987 1.315 . . . . 0.0 113.129 -161.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.71 -8.07 0.57 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 126.811 2.044 . . . . 0.0 112.221 170.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mp0 -54.2 -31.46 53.09 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 129.054 2.942 . . . . 0.0 113.535 -167.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.85 -21.79 21.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.905 2.082 . . . . 0.0 113.772 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.76 -24.9 34.68 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.163 -0.798 . . . . 0.0 113.561 167.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 m -64.2 -47.72 78.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.172 1.389 . . . . 0.0 111.005 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.635 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -68.14 -39.54 82.65 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.3 m -89.82 -14.53 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.69 50.54 35.74 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 125.175 1.369 . . . . 0.0 111.528 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -142.6 131.05 22.33 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.481 1.512 . . . . 0.0 110.513 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.6 12.32 1.06 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.477 1.511 . . . . 0.0 113.729 174.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.72 161.71 11.97 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.289 1.036 . . . . 0.0 113.711 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 -107.8 3.28 24.29 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m -137.36 91.51 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.977 1.711 . . . . 0.0 109.963 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.54 55.35 2.47 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.978 1.275 . . . . 0.0 113.963 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.8 p -88.8 114.78 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.827 0.823 . . . . 0.0 109.284 167.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.9 t -135.66 157.41 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 126.001 1.721 . . . . 0.0 107.621 -172.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 m -150.94 152.64 33.88 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 119.85 -1.781 . . . . 0.0 111.205 167.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.8 mm -121.66 134.37 65.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 126.298 1.839 . . . . 0.0 108.724 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.38 -67.78 0.96 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.524 1.53 . . . . 0.0 109.216 -173.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -123.93 89.46 3.09 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.204 1.002 . . . . 0.0 110.163 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.75 65.11 0.69 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.732 0.813 . . . . 0.0 111.767 171.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.36 43.98 0.9 Allowed Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.01 1.29 . . . . 0.0 112.983 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -145.6 -84.37 0.13 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.475 1.51 . . . . 0.0 110.072 -167.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 t -107.79 152.52 24.26 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 123.767 1.746 . . . . 0.0 111.519 160.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -52.23 11.78 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.824 1 C-N-CA 135.897 5.679 . . . . 0.0 117.319 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 tt -52.02 -52.68 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 121.171 1.805 . . . . 0.0 112.916 -169.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.313 0.1 OUTLIER -67.81 6.58 0.65 Allowed 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 175.156 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 55.0 p -79.56 -56.54 4.23 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.52 1.055 . . . . 0.0 111.253 161.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.4 t -107.07 -12.76 15.34 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -172.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.54 -6.13 20.87 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.713 1.605 . . . . 0.0 111.704 176.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.286 1.434 . . . . 0.0 111.489 157.626 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.522 ' HB1' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 116.099 -1.905 . . . . 0.0 108.43 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.522 ' CD ' ' HB1' ' A' ' 2' ' ' ALA . 87.7 Cg_exo -54.08 160.62 5.98 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.779 2.319 . . . . 0.0 114.626 174.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.0 t -43.4 -43.69 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.543 1.937 . . . . 0.0 114.675 -165.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -64.05 -14.66 56.07 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -178.375 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -90.49 -9.38 47.53 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.181 1.355 . . . . 0.0 113.829 167.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -95.04 -54.63 3.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.312 1.445 . . . . 0.0 114.38 -170.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -46.92 66.35 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -171.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -72.74 -38.48 67.39 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.69 0.796 . . . . 0.0 110.911 -170.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -46.63 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.242 169.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -52.5 -55.14 24.12 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 120.055 1.298 . . . . 0.0 111.017 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -52.77 -61.62 2.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.857 0.863 . . . . 0.0 111.444 177.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -66.05 -37.04 84.83 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.98 -38.95 76.18 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.186 -0.912 . . . . 0.0 112.002 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.34 89.79 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.104 1.32 . . . . 0.0 112.068 172.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.35 -43.04 64.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.543 1.137 . . . . 0.0 110.841 171.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -63.55 -57.95 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.172 0.989 . . . . 0.0 112.838 169.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.5 mt -51.5 -31.4 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.43 1.492 . . . . 0.0 113.139 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -16.7 4.88 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.44 1.496 . . . . 0.0 114.435 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.3 p -148.82 -14.34 0.32 Allowed 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 164.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.47 170.78 39.18 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.465 1.507 . . . . 0.0 114.827 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.07 112.15 23.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.78 1.232 . . . . 0.0 111.346 -174.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -123.34 172.17 8.86 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.657 1.583 . . . . 0.0 113.618 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 t -142.77 156.97 45.07 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.49 1.916 . . . . 0.0 110.875 171.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.6 mt -141.06 130.81 24.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.069 1.748 . . . . 0.0 113.255 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.98 151.16 21.63 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.609 1.099 . . . . 0.0 113.032 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CE1' HD21 ' A' ' 56' ' ' LEU . 24.6 t80 -50.64 -57.5 8.08 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.842 1.257 . . . . 0.0 113.53 -162.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -55.58 -47.03 77.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.041 0.937 . . . . 0.0 112.101 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -60.5 -47.4 86.32 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 127.138 2.175 . . . . 0.0 112.845 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -66.0 -58.47 5.44 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 116.72 -1.61 . . . . 0.0 109.203 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -46.86 -49.75 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.561 1.982 . . . . 0.0 113.147 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -44.12 -65.11 0.55 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.516 1.527 . . . . 0.0 111.332 166.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -70.04 -27.2 64.46 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.146 1.378 . . . . 0.0 113.681 -169.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 mt -75.02 -38.78 61.42 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.393 1.077 . . . . 0.0 111.422 171.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -68.17 -20.83 64.9 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.668 0.667 . . . . 0.0 112.445 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -75.12 3.41 8.65 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.12 1.368 . . . . 0.0 113.849 161.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.9 -48.49 3.9 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.764 1.65 . . . . 0.0 115.725 160.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -78.98 20.39 0.48 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -164.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.8 p -70.68 162.58 28.76 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.594 1.088 . . . . 0.0 111.636 167.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -130.76 -14.71 3.55 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 164.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.528 HD11 ' CD1' ' A' ' 43' ' ' ILE . 2.6 tm? -139.23 130.45 26.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.661 1.119 . . . . 0.0 110.748 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.616 HG23 HG21 ' A' ' 65' ' ' THR . 14.6 pt -114.93 138.59 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.022 0.929 . . . . 0.0 111.182 161.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CD1' HD11 ' A' ' 41' ' ' LEU . 23.9 mm -111.63 139.84 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 124.273 1.029 . . . . 0.0 108.466 167.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 mt -122.67 94.04 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.21 58.86 3.37 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 123.594 1.664 . . . . 0.0 110.866 169.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.93 140.29 32.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.888 1.275 . . . . 0.0 110.826 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -73.04 72.98 1.17 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.341 1.856 . . . . 0.0 108.4 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.8 m -91.23 117.89 68.15 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 124.775 1.23 . . . . 0.0 112.383 -149.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.34 148.53 41.45 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.405 2.737 . . . . 0.0 113.301 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.9 -45.32 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.624 1.17 . . . . 0.0 112.472 -173.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.65 -39.67 94.11 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.864 0.756 . . . . 0.0 112.127 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -46.89 72.72 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.825 1.25 . . . . 0.0 110.202 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -62.66 -44.65 95.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.413 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.6 m -56.33 -41.26 75.77 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 123.975 0.91 . . . . 0.0 111.62 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -64.06 -47.6 79.51 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.271 0.941 . . . . 0.0 112.162 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.421 HD21 ' CE1' ' A' ' 27' ' ' TYR . 5.8 mt -58.6 -44.32 89.82 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.836 0.827 . . . . 0.0 112.986 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -63.74 -38.1 89.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.815 2.446 . . . . 0.0 111.793 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -62.54 -47.21 84.89 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.671 1.188 . . . . 0.0 111.448 169.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -66.47 -34.86 78.88 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.145 -0.972 . . . . 0.0 112.898 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.72 67.79 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 119.061 0.846 . . . . 0.0 113.151 168.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -81.66 -35.13 30.29 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.702 2.001 . . . . 0.0 114.03 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.08 -51.86 34.41 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.528 1.058 . . . . 0.0 111.549 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.6 p -61.73 -174.94 0.05 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.162 0.585 . . . . 0.0 110.241 156.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -121.99 75.98 1.26 Allowed 'General case' 0 N--CA 1.474 0.734 0 O-C-N 119.767 -1.833 . . . . 0.0 109.456 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.616 HG21 HG23 ' A' ' 42' ' ' ILE . 90.7 m -131.78 139.28 48.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.449 -154.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -78.78 143.16 36.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.467 1.107 . . . . 0.0 110.637 170.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.64 129.02 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.179 1.392 . . . . 0.0 110.013 172.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -123.69 106.02 10.18 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.738 1.215 . . . . 0.0 110.918 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -78.71 82.54 4.93 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.754 1.222 . . . . 0.0 111.268 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -76.58 -27.82 55.98 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 123.514 0.726 . . . . 0.0 111.653 -167.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.96 116.13 1.54 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.357 1.063 . . . . 0.0 112.159 -161.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -74.46 14.66 4.04 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.678 1.609 . . . . 0.0 114.218 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.49 -14.63 6.62 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 124.034 0.826 . . . . 0.0 113.024 -133.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.59 -173.78 4.22 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.421 2.288 . . . . 0.0 112.166 -162.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.21 17.2 14.82 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 128.139 2.576 . . . . 0.0 113.321 -161.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.9 pm0 -61.85 -8.09 4.51 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -168.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.421 HD22 HG21 ' A' ' 43' ' ' ILE . 35.1 tp -54.21 -19.76 5.75 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.964 1.706 . . . . 0.0 113.51 161.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.77 -31.67 2.75 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.739 1.161 . . . . 0.0 113.827 163.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -56.71 -52.25 65.66 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.431 1.492 . . . . 0.0 111.419 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.56 -38.68 80.95 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 m -92.11 -16.0 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -172.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.14 -47.21 1.93 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 126.74 2.114 . . . . 0.0 113.037 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -75.05 68.51 1.86 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.895 1.678 . . . . 0.0 109.415 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.81 18.65 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 129.243 3.017 . . . . 0.0 118.119 -168.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -67.03 164.25 18.17 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -176.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -97.6 150.5 21.07 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.921 1.288 . . . . 0.0 109.37 164.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.1 m -67.23 132.4 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 129.584 3.154 . . . . 0.0 111.185 -13.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.9 46.23 3.1 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 118.662 0.665 . . . . 0.0 113.135 -174.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -84.42 133.38 29.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 O-C-N 121.794 -0.827 . . . . 0.0 110.084 175.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.86 155.43 41.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 126.758 2.023 . . . . 0.0 107.804 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.9 m -148.25 151.41 35.4 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 120.133 -1.604 . . . . 0.0 111.056 164.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.403 HG12 HD12 ' A' ' 41' ' ' LEU . 16.2 mm -121.1 137.07 56.01 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 C-N-CA 125.763 1.625 . . . . 0.0 110.008 -178.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mp -119.96 -41.58 2.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.424 1.89 . . . . 0.0 112.655 -170.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.8 100.64 4.37 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.337 1.055 . . . . 0.0 109.456 169.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.591 ' HB3' HD22 ' A' ' 101' ' ' LEU . . . -75.09 66.85 1.69 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.456 0.646 . . . . 0.0 111.269 173.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.21 27.5 0.32 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.416 1.484 . . . . 0.0 115.894 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -137.86 -78.3 0.37 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.028 1.414 . . . . 0.0 110.091 -170.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -108.68 163.42 13.26 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 123.073 1.416 . . . . 0.0 111.953 159.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -52.44 7.2 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.919 1 C-N-CA 134.448 5.099 . . . . 0.0 118.57 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.7 tt -50.83 -47.15 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 121.102 1.774 . . . . 0.0 112.532 -161.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' A' ' 95' ' ' ALA 0.311 0.1 OUTLIER -84.25 7.1 20.28 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -174.915 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.5 t -108.99 -13.96 14.63 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 160.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.5 p -107.93 -47.17 3.63 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.52 1.509 . . . . 0.0 114.289 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -83.65 -30.33 26.95 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.336 1.454 . . . . 0.0 111.018 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 116.437 -1.744 . . . . 0.0 114.204 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 117.68 -1.152 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -65.75 1.91 1.97 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 124.583 3.522 . . . . 0.0 118.065 -170.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p -81.2 -41.99 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 124.3 1.04 . . . . 0.0 111.782 162.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -92.74 -50.77 5.41 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.292 1.437 . . . . 0.0 114.726 -171.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -68.31 18.06 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 116.766 2.135 . . . . 0.0 116.766 -154.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -64.55 -29.18 70.2 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.941 2.096 . . . . 0.0 115.607 -162.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -42.98 13.4 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 119.044 0.838 . . . . 0.0 110.733 174.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 t -54.7 -52.67 61.69 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 125.681 1.592 . . . . 0.0 110.804 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -51.76 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 123.961 0.904 . . . . 0.0 111.817 176.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -59.92 -50.43 73.8 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.168 0.895 . . . . 0.0 110.629 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -59.02 5.85 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.368 1.067 . . . . 0.0 111.878 172.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -58.45 -42.75 88.09 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.986 1.315 . . . . 0.0 111.42 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -69.41 -42.27 75.3 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.919 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.81 97.87 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.182 1.355 . . . . 0.0 111.925 172.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.75 -43.6 80.91 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.915 0.886 . . . . 0.0 110.89 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.2 t -59.77 -57.29 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.964 0.906 . . . . 0.0 111.875 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.3 -29.76 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.713 1.605 . . . . 0.0 113.248 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -23.87 12.55 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 171.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 p -154.68 -15.61 0.12 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 165.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.37 158.03 43.22 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-N 120.008 1.276 . . . . 0.0 112.556 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -89.04 111.66 22.44 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.856 -0.791 . . . . 0.0 111.869 -167.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -115.24 171.45 7.68 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.489 1.516 . . . . 0.0 113.662 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.4 t -143.93 151.61 40.01 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.741 2.016 . . . . 0.0 110.714 171.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -139.49 134.39 32.21 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.538 1.535 . . . . 0.0 112.961 -171.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.66 146.92 20.33 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 124.054 0.835 . . . . 0.0 111.878 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 37.4 t80 -54.48 -50.96 66.52 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.047 0.939 . . . . 0.0 113.23 -164.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.46 -46.35 76.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.21 1.004 . . . . 0.0 112.036 175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -62.9 -48.12 80.35 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 126.942 2.097 . . . . 0.0 112.822 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.275 8.0 t -59.98 -65.37 0.69 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-O 116.197 -1.858 . . . . 0.0 109.303 168.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 59' ' ' TYR . 70.3 t -45.35 -48.9 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 121.642 2.019 . . . . 0.0 113.203 -177.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -48.15 -60.89 2.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.639 1.175 . . . . 0.0 111.19 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 m -59.76 -35.84 75.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.272 1.429 . . . . 0.0 113.649 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.33 -40.92 61.89 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.361 0.665 . . . . 0.0 111.23 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -68.07 -28.23 67.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.372 1.069 . . . . 0.0 112.762 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -68.95 -3.19 11.89 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.648 1.179 . . . . 0.0 113.461 162.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.66 4.02 74.51 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.397 1.475 . . . . 0.0 114.716 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 0.86 23.04 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -152.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.7 p -68.31 168.9 11.55 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.877 0.871 . . . . 0.0 112.249 164.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -136.45 -16.86 1.55 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 158.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD11 HD11 ' A' ' 43' ' ' ILE . 1.4 tm? -140.88 133.37 28.48 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.244 1.017 . . . . 0.0 109.993 171.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.434 HG23 HG21 ' A' ' 65' ' ' THR . 15.6 pt -111.41 148.16 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.718 1.207 . . . . 0.0 111.904 168.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.419 HD11 HD11 ' A' ' 41' ' ' LEU . 19.4 mm -119.22 139.77 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.865 1.266 . . . . 0.0 109.331 170.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.39 85.0 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.556 0.742 . . . . 0.0 109.107 167.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.3 53.05 0.95 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.221 1.808 . . . . 0.0 110.017 166.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.5 137.72 21.84 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.958 1.703 . . . . 0.0 108.408 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -65.05 83.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 122.651 1.215 . . . . 0.0 112.481 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.1 m -106.5 109.47 63.15 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 128.037 2.535 . . . . 0.0 110.48 -163.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.76 165.42 29.69 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.575 2.183 . . . . 0.0 112.979 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.8 t -51.5 -52.66 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.371 1.468 . . . . 0.0 113.551 -165.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.24 -37.95 87.39 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.11 0.868 . . . . 0.0 112.075 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.73 -47.51 69.11 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.813 1.645 . . . . 0.0 110.406 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -62.92 -46.28 88.55 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 t -59.53 -33.3 71.21 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.309 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -67.65 -48.84 65.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.489 1.041 . . . . 0.0 111.273 172.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.13 -44.07 87.58 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.057 0.844 . . . . 0.0 112.537 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -61.09 -42.36 98.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.652 2.381 . . . . 0.0 111.417 176.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.65 -48.29 82.25 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.769 1.228 . . . . 0.0 111.701 169.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.405 ' CE2' HG13 ' A' ' 31' ' ' VAL . 35.2 m-85 -65.77 -38.55 89.37 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.273 -0.892 . . . . 0.0 112.933 176.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.0 -46.85 81.98 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.707 1.14 . . . . 0.0 111.962 170.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.9 ttp -58.59 -40.42 83.18 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.307 1.443 . . . . 0.0 112.607 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.33 -66.14 0.58 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.492 1.042 . . . . 0.0 111.601 172.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.5 p -71.47 46.29 0.11 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 129.459 3.103 . . . . 0.0 114.38 -169.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -31.51 96.06 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.78 1.632 . . . . 0.0 112.184 -134.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.434 HG21 HG23 ' A' ' 42' ' ' ILE . 1.7 m -133.16 142.55 48.7 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.453 2.301 . . . . 0.0 109.801 -162.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -78.82 150.36 32.32 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.974 -0.454 . . . . 0.0 110.892 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -105.97 148.97 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 125.388 1.475 . . . . 0.0 110.429 172.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -139.04 110.8 7.15 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.059 1.344 . . . . 0.0 111.386 166.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -79.81 130.5 35.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.309 0.644 . . . . 0.0 111.275 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -142.18 39.15 1.6 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.414 1.086 . . . . 0.0 110.472 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -63.25 -21.61 66.35 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -165.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.81 3.75 78.01 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.7 1.143 . . . . 0.0 114.75 170.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -107.39 20.57 32.33 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 127.109 2.29 . . . . 0.0 114.098 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -10.73 11.77 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.673 2.389 . . . . 0.0 114.463 -173.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -115.87 -30.45 6.08 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.131 1.773 . . . . 0.0 111.401 168.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -76.75 -44.35 33.43 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 129.198 2.999 . . . . 0.0 111.601 -163.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 tp -68.13 -17.93 64.49 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.523 0.601 . . . . 0.0 112.354 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.83 -38.52 23.32 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.978 0.799 . . . . 0.0 112.662 165.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 m -48.65 -44.29 37.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.826 1.651 . . . . 0.0 111.64 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.68 -67.67 0.51 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.143 0.977 . . . . 0.0 111.556 168.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 m -79.58 -20.61 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -154.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.21 -14.22 0.03 OUTLIER Glycine 0 N--CA 1.471 0.997 0 N-CA-C 117.946 1.938 . . . . 0.0 117.946 -171.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.1 -47.38 0.16 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 130.069 3.347 . . . . 0.0 114.235 178.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.7 tp -85.35 -66.33 0.91 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.028 2.131 . . . . 0.0 110.722 164.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -73.87 131.26 41.31 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.464 0.706 . . . . 0.0 110.735 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.3 ptm85 -142.99 -8.32 0.8 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.893 2.553 . . . . 0.0 117.893 -157.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.7 t -71.46 92.59 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.444 1.098 . . . . 0.0 108.816 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.95 61.24 4.06 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.392 0.52 . . . . 0.0 113.637 -159.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.85 109.13 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 159.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.0 t -127.85 157.93 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.22 1.408 . . . . 0.0 109.538 -166.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.1 m -146.0 156.48 43.53 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 120.429 -1.419 . . . . 0.0 111.213 156.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.6 mm -117.57 126.93 75.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 126.647 1.979 . . . . 0.0 108.161 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.98 -43.16 5.86 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.442 2.297 . . . . 0.0 111.788 -170.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -139.02 110.67 7.1 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.124 1.37 . . . . 0.0 109.396 171.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.5 56.31 0.25 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.579 0.752 . . . . 0.0 111.852 167.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.56 31.6 0.59 Allowed Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.501 1.524 . . . . 0.0 113.741 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -148.52 -95.91 0.08 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.097 1.759 . . . . 0.0 109.429 -170.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.5 t -109.17 154.49 22.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 123.764 1.745 . . . . 0.0 112.638 168.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.32 18.68 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.957 1 C-N-CA 136.968 6.107 . . . . 0.0 118.707 -176.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 tt -49.37 -51.04 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 121.367 1.894 . . . . 0.0 113.397 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.328 0.0 OUTLIER -63.09 -10.63 15.32 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 176.012 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.9 t -108.9 -15.04 14.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 163.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.0 m -105.44 -35.78 7.38 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.673 1.124 . . . . 0.0 113.311 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.63 77.99 7.42 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.78 1.232 . . . . 0.0 111.581 -166.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.274 0 CA-C-O 116.546 -1.692 . . . . 0.0 111.755 165.758 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.552 ' N ' ' HG1' ' A' ' 103' ' ' THR . . . . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.56 158.68 50.5 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.74 2.293 . . . . 0.0 111.799 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.5 p -55.76 -33.43 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -171.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -4.72 16.9 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.857 1.663 . . . . 0.0 115.168 175.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -88.75 65.39 7.67 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 119.414 1.006 . . . . 0.0 113.583 -161.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -48.38 -43.69 34.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.404 1.882 . . . . 0.0 111.871 167.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 pm0 -61.82 -26.5 68.15 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.213 1.805 . . . . 0.0 114.311 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 m -78.57 -71.29 0.44 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.297 0.639 . . . . 0.0 109.727 164.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -56.1 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 118.218 -0.896 . . . . 0.0 112.69 -165.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -62.37 -55.09 31.34 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.716 1.144 . . . . 0.0 110.767 -169.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.06 -57.37 11.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.227 1.811 . . . . 0.0 111.931 172.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.68 -30.44 69.11 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.944 -172.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.82 -43.6 79.23 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.808 0.731 . . . . 0.0 110.693 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.5 93.54 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.987 0.812 . . . . 0.0 112.126 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.72 -38.41 75.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.877 0.871 . . . . 0.0 111.349 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.66 -54.93 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.082 1.353 . . . . 0.0 112.652 167.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.6 mt -55.82 -20.45 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.775 1.63 . . . . 0.0 113.642 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -48.06 -37.47 15.12 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.717 1.607 . . . . 0.0 113.844 167.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 p -149.21 -1.42 0.47 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.31 -165.93 28.23 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.345 1.45 . . . . 0.0 113.447 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.43 117.32 20.36 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.529 -0.983 . . . . 0.0 111.766 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -131.18 175.74 8.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.185 2.194 . . . . 0.0 112.724 -172.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 t -146.99 150.6 35.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.061 1.745 . . . . 0.0 110.511 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -136.76 129.67 30.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.803 1.641 . . . . 0.0 112.544 -171.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.25 150.65 26.95 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.671 1.129 . . . . 0.0 112.557 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.21 -58.38 7.94 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.922 0.889 . . . . 0.0 113.179 -164.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.17 -41.68 75.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.956 0.903 . . . . 0.0 111.946 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -58.1 -56.93 15.63 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.605 1.562 . . . . 0.0 111.408 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.262 9.9 t -60.37 -52.55 64.76 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.416 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -48.8 -50.91 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 121.669 2.032 . . . . 0.0 112.57 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -54.79 -53.06 60.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.562 0.745 . . . . 0.0 111.634 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -58.29 -52.47 65.46 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.697 1.599 . . . . 0.0 112.333 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.63 -34.67 77.51 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.227 1.411 . . . . 0.0 112.015 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -78.06 -29.2 49.12 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.035 0.934 . . . . 0.0 113.208 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -105.59 -14.51 15.26 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.08 168.59 28.23 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 120.436 1.471 . . . . 0.0 114.862 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HZ1' ' CD ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -75.03 83.13 2.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.989 1.315 . . . . 0.0 110.76 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 93' ' ' LEU . 81.5 p -68.9 161.66 28.27 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 122.106 -0.371 . . . . 0.0 111.355 158.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -136.02 -22.54 1.38 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 169.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 43' ' ' ILE . 1.8 tm? -143.27 125.72 15.74 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.798 0.726 . . . . 0.0 110.365 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.621 HG23 HG21 ' A' ' 65' ' ' THR . 13.8 pt -107.22 140.78 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.953 0.901 . . . . 0.0 111.302 166.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.547 HD11 HD11 ' A' ' 41' ' ' LEU . 25.4 mm -110.26 135.34 49.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 124.353 1.061 . . . . 0.0 108.474 169.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.3 mt -119.76 83.29 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 171.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.89 50.03 1.09 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.735 1.614 . . . . 0.0 110.397 168.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.3 144.58 40.51 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 125.894 1.678 . . . . 0.0 107.437 172.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -76.86 85.23 3.43 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.969 0.89 . . . . 0.0 109.93 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.7 m -105.85 113.65 63.6 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.395 1.478 . . . . 0.0 111.154 -152.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.28 161.35 46.33 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.793 2.328 . . . . 0.0 112.763 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.12 -58.74 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.349 1.86 . . . . 0.0 113.493 -165.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.97 -35.78 77.68 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.619 0.645 . . . . 0.0 112.426 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -50.23 27.35 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.048 1.339 . . . . 0.0 110.461 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -58.26 -48.83 79.19 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.9 m -76.19 -17.07 59.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 118.158 -0.925 . . . . 0.0 113.261 -171.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -66.44 -47.29 73.64 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.012 1.278 . . . . 0.0 111.196 161.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.59 -42.73 97.31 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.311 0.959 . . . . 0.0 112.575 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -57.42 -41.66 80.81 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.471 2.308 . . . . 0.0 110.81 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -62.59 -48.92 77.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.986 1.315 . . . . 0.0 112.011 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -62.79 -41.93 99.48 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.08 0.855 . . . . 0.0 112.014 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.06 -44.71 79.15 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.501 0.72 . . . . 0.0 112.353 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -60.1 -41.88 93.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.816 1.247 . . . . 0.0 112.446 172.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.5 -75.06 0.09 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.293 1.037 . . . . 0.0 112.016 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 p -80.07 79.79 6.57 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.897 1.279 . . . . 0.0 109.531 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -36.87 95.7 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.675 2.79 . . . . 0.0 114.269 -155.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.621 HG21 HG23 ' A' ' 42' ' ' ILE . 7.1 m -136.1 142.98 44.35 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.871 2.068 . . . . 0.0 110.494 -166.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -79.84 143.44 34.36 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.922 -0.486 . . . . 0.0 110.878 172.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.7 t -102.45 132.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 125.824 1.65 . . . . 0.0 109.547 173.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -127.23 107.09 9.7 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.222 1.009 . . . . 0.0 111.596 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -79.67 119.34 22.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.868 1.267 . . . . 0.0 111.208 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -138.09 31.25 2.43 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.211 1.404 . . . . 0.0 110.888 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -73.1 42.31 0.11 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -171.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -48.48 139.38 11.92 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -49.88 -27.34 9.66 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 123.972 0.796 . . . . 0.0 114.568 175.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.2 -8.07 52.04 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.579 1.951 . . . . 0.0 113.044 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . 0.323 0.1 OUTLIER 29.91 67.24 0.11 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 128.13 2.572 . . . . 0.0 114.403 -158.085 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' CD ' ' H ' ' A' ' 76' ' ' GLU . 1.9 mp0 -49.45 -24.5 2.04 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.456 2.703 . . . . 0.0 114.304 -173.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.534 HD22 HG21 ' A' ' 43' ' ' ILE . 21.0 tp -55.76 -19.08 9.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.142 2.177 . . . . 0.0 113.735 170.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.27 -30.83 49.13 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.995 -1.065 . . . . 0.0 112.676 168.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 m -51.2 -41.02 59.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.608 1.563 . . . . 0.0 111.063 171.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.33 -68.9 0.51 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.277 1.031 . . . . 0.0 111.677 166.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 m -110.47 -18.64 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -152.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.32 -2.9 0.48 Allowed Glycine 0 N--CA 1.476 1.309 0 N-CA-C 117.731 1.852 . . . . 0.0 117.731 -160.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm 53.91 -64.19 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 130.849 3.66 . . . . 0.0 116.094 169.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt -125.78 1.06 7.43 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.771 2.028 . . . . 0.0 113.25 -177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.39 171.76 1.79 Allowed 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.14 0.882 . . . . 0.0 112.908 171.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.2 6.36 4.93 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.9 t -123.68 72.73 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.405 1.082 . . . . 0.0 109.835 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.64 53.77 3.65 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.467 1.032 . . . . 0.0 113.961 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.4 p -93.04 116.4 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.504 0.668 . . . . 0.0 109.511 172.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.4 t -134.47 157.07 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 125.5 1.52 . . . . 0.0 108.885 -166.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 m -147.49 155.12 41.58 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 120.315 -1.491 . . . . 0.0 111.402 162.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.0 mm -120.57 129.13 75.93 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 C-N-CA 126.621 1.968 . . . . 0.0 108.836 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 39' ' ' SER . 5.3 mp -101.77 -63.87 1.11 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.48 1.912 . . . . 0.0 109.532 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' CD ' ' HZ1' ' A' ' 38' ' ' LYS . 17.0 mm-40 -117.34 103.31 10.02 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 124.395 1.078 . . . . 0.0 109.541 -177.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.21 56.08 0.46 Allowed 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.615 -0.678 . . . . 0.0 111.219 166.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.06 38.14 0.79 Allowed Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.815 1.674 . . . . 0.0 113.644 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -145.94 -93.65 0.09 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.138 1.775 . . . . 0.0 109.264 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -109.94 177.11 4.82 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 123.243 1.497 . . . . 0.0 113.107 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -53.81 -6.03 0.08 Allowed 'General case' 0 CA--C 1.543 0.708 1 C-N-CA 134.012 4.925 . . . . 0.0 121.36 -168.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . 0.252 13.1 tt -48.21 -59.47 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 123.401 2.819 . . . . 0.0 114.982 -154.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.298 0.1 OUTLIER -64.26 -2.26 2.06 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 116.758 2.133 . . . . 0.0 116.758 178.566 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.4 p -90.7 -29.65 17.57 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.194 1.398 . . . . 0.0 112.853 167.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.552 ' HG1' ' N ' ' A' ' 2' ' ' ALA . 9.6 t -108.13 -47.12 3.61 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.217 1.407 . . . . 0.0 112.575 -176.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -94.6 67.03 3.3 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 127.735 2.414 . . . . 0.0 105.467 168.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.943 1.697 . . . . 0.0 114.127 -161.353 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 117.159 -1.4 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -58.26 3.81 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.661 1 C-N-CA 125.468 4.112 . . . . 0.0 119.546 -172.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.35 -29.58 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.027 0.931 . . . . 0.0 110.985 160.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -78.86 85.86 4.8 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 156.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -93.3 -149.38 0.26 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.43 1.492 . . . . 0.0 112.772 -171.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -54.65 -31.66 57.92 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.568 1.547 . . . . 0.0 113.097 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -35.02 79.66 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.772 0.715 . . . . 0.0 112.205 175.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 m -76.12 -48.22 21.48 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.629 1.172 . . . . 0.0 111.399 -174.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -47.74 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.962 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -54.08 -57.81 9.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.294 0.952 . . . . 0.0 112.198 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -53.66 -58.53 6.87 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.799 1.639 . . . . 0.0 111.848 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.93 -37.48 82.46 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.798 1.239 . . . . 0.0 111.545 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.99 -42.16 81.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.136 -0.935 . . . . 0.0 112.158 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.49 87.96 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.793 1.178 . . . . 0.0 111.942 173.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -53.99 -42.16 68.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.369 1.468 . . . . 0.0 111.934 173.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 t -60.02 -62.71 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.994 1.317 . . . . 0.0 111.303 166.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.84 -32.71 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.765 1.626 . . . . 0.0 113.702 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -28.79 8.2 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.079 1.352 . . . . 0.0 114.431 171.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p -144.92 -6.68 0.67 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.54 -165.56 33.12 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 127.058 2.266 . . . . 0.0 113.979 175.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.95 113.41 13.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.411 1.085 . . . . 0.0 110.072 -176.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -131.34 174.37 10.13 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.619 1.568 . . . . 0.0 113.656 -170.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -145.86 155.13 42.69 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.698 1.999 . . . . 0.0 111.131 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -140.81 127.06 19.71 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.847 1.659 . . . . 0.0 113.396 -167.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.49 151.1 25.39 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.443 1.021 . . . . 0.0 112.758 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.524 ' CE2' HD21 ' A' ' 56' ' ' LEU . 37.8 t80 -50.52 -58.47 5.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.742 1.217 . . . . 0.0 112.998 -164.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.12 -44.51 79.22 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.746 0.818 . . . . 0.0 112.299 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -60.7 -50.24 74.28 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 126.588 1.955 . . . . 0.0 112.625 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.264 10.0 t -60.84 -62.03 2.15 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 116.668 -1.634 . . . . 0.0 108.856 170.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG21 ' CE1' ' A' ' 27' ' ' TYR . 71.9 t -48.21 -46.46 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 121.405 1.911 . . . . 0.0 113.555 -176.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -57.4 9.02 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.346 1.058 . . . . 0.0 111.119 169.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.3 m -64.63 -31.51 72.77 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.178 1.391 . . . . 0.0 113.849 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.6 mt -74.21 -39.18 63.29 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.891 0.877 . . . . 0.0 110.817 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -65.18 -24.01 67.26 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.94 0.896 . . . . 0.0 112.833 171.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -72.5 -1.99 17.95 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 163.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.18 -33.25 0.94 Allowed Glycine 0 CA--C 1.534 1.246 0 C-N-CA 126.675 2.083 . . . . 0.0 116.169 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -83.24 8.25 13.9 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.202 1.801 . . . . 0.0 115.233 -169.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.8 p -62.12 173.38 1.13 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.457 1.503 . . . . 0.0 112.03 165.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.77 -26.31 0.19 Allowed 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD11 HD11 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -147.16 128.93 15.25 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.72 1.208 . . . . 0.0 110.028 169.798 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.521 HG23 HG21 ' A' ' 65' ' ' THR . 17.3 pt -104.49 142.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.551 1.141 . . . . 0.0 111.667 168.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 41' ' ' LEU . 24.1 mm -115.6 137.02 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.626 1.17 . . . . 0.0 108.441 167.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.4 mt -119.5 86.14 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.44 12.49 34.85 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.773 1.629 . . . . 0.0 112.066 164.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.82 152.56 24.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.652 1.181 . . . . 0.0 111.161 169.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -73.3 76.35 1.34 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.498 1.519 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -106.6 104.84 52.7 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 125.574 1.55 . . . . 0.0 111.75 -157.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.89 164.23 35.44 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.228 1.952 . . . . 0.0 112.05 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.3 t -50.85 -50.27 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.622 1.569 . . . . 0.0 113.088 -168.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.78 -47.4 84.86 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.804 -0.56 . . . . 0.0 111.036 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -42.51 95.14 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.353 1.461 . . . . 0.0 110.801 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -64.76 -43.53 93.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.917 0.781 . . . . 0.0 109.198 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.0 p -57.28 -35.36 69.7 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.38 0.672 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.37 -44.92 74.16 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.362 0.665 . . . . 0.0 111.605 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.524 HD21 ' CE2' ' A' ' 27' ' ' TYR . 6.9 mt -57.75 -44.31 86.02 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 172.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.34 -40.81 98.33 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.492 2.317 . . . . 0.0 110.979 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.99 -47.39 86.69 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.482 1.513 . . . . 0.0 111.748 170.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.41 ' CE2' HG22 ' A' ' 31' ' ' VAL . 24.3 m-85 -64.88 -39.09 92.99 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.042 -1.036 . . . . 0.0 112.659 174.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.11 -36.73 71.0 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.969 0.908 . . . . 0.0 112.854 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 59.1 ttp -73.46 -41.15 63.55 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.448 1.899 . . . . 0.0 113.644 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.49 -60.79 2.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.714 1.206 . . . . 0.0 111.109 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.2 p -58.23 176.59 0.16 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.088 0.955 . . . . 0.0 110.62 162.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -112.24 75.54 0.92 Allowed 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.036 -1.665 . . . . 0.0 108.998 179.455 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.521 HG21 HG23 ' A' ' 42' ' ' ILE . 78.2 m -135.98 129.15 31.65 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 113.935 -1.484 . . . . 0.0 111.472 -156.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -78.53 157.36 28.85 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.368 1.067 . . . . 0.0 110.91 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.99 142.69 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.559 1.143 . . . . 0.0 111.244 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -139.34 156.41 47.04 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.616 1.166 . . . . 0.0 112.641 168.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -130.07 120.1 24.12 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.715 1.606 . . . . 0.0 111.123 -172.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -145.56 39.08 1.15 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.607 0.763 . . . . 0.0 111.948 -167.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -57.04 -28.29 62.4 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.298 -1.501 . . . . 0.0 113.931 -176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.19 1.98 16.26 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-O 118.812 -0.993 . . . . 0.0 115.107 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.07 26.96 11.41 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 126.851 2.167 . . . . 0.0 113.439 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -44.05 -33.5 1.47 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 128.46 2.704 . . . . 0.0 114.775 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -119.38 -18.75 8.47 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.968 2.107 . . . . 0.0 112.384 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -86.29 -45.93 10.79 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 128.073 2.549 . . . . 0.0 109.057 -169.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.9 -32.44 72.07 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.63 -0.668 . . . . 0.0 110.504 164.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.03 -22.81 29.58 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.553 0.597 . . . . 0.0 113.486 164.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.7 m -97.2 -23.02 16.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.904 1.281 . . . . 0.0 111.71 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.2 -48.74 66.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.03 0.932 . . . . 0.0 111.616 165.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 m -72.85 -29.87 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.806 0.443 . . . . 0.0 111.017 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.07 -43.16 1.95 Allowed Glycine 0 CA--C 1.531 1.062 0 C-N-CA 126.355 1.931 . . . . 0.0 115.179 159.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 59.19 0.26 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.443 1.897 . . . . 0.0 114.233 -174.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 mt 69.83 -15.36 0.32 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 129.966 3.306 . . . . 0.0 116.36 173.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.33 151.93 30.74 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.489 1.04 . . . . 0.0 113.118 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.78 172.57 14.9 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 129.028 2.931 . . . . 0.0 108.144 169.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.2 t 59.3 69.43 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-O 123.033 1.396 . . . . 0.0 108.12 -170.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.67 69.78 2.67 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.04 -0.982 . . . . 0.0 114.608 -146.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.1 119.53 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 118.274 1.037 . . . . 0.0 109.548 159.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.4 t -127.38 157.07 39.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 126.446 1.899 . . . . 0.0 107.868 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -146.65 150.14 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 119.947 -1.721 . . . . 0.0 110.373 160.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.5 mm -113.43 131.22 65.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 C-N-CA 126.217 1.807 . . . . 0.0 107.801 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.53 -54.14 3.91 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.621 1.568 . . . . 0.0 109.309 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -134.13 122.03 22.3 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.727 1.211 . . . . 0.0 110.911 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.08 75.01 5.61 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.775 1.23 . . . . 0.0 111.514 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.68 39.29 0.38 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.267 1.413 . . . . 0.0 115.676 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -154.1 -90.07 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.819 1.647 . . . . 0.0 109.541 162.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.3 t -107.09 158.39 17.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.053 1.341 . . . . 0.0 112.242 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.95 34.35 0.19 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.687 1.995 . . . . 0.0 116.274 -152.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.8 tt -52.59 -35.3 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -167.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.411 0.0 OUTLIER -65.02 -16.8 63.85 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 171.482 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . 0.3 8.8 t -106.44 -78.04 0.59 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.545 1.521 . . . . 0.0 111.526 157.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 m -75.57 99.76 4.37 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.5 1.5 . . . . 0.0 109.979 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.2 tp -64.87 -22.81 67.06 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.29 0 C-N-CA 128.407 2.683 . . . . 0.0 114.627 179.562 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 119.283 -0.389 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.48 67.14 4.54 Favored 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 123.76 2.973 . . . . 0.0 111.625 171.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.04 156.77 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.75 1.62 . . . . 0.0 111.525 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.522 ' HG2' HE22 ' A' ' 7' ' ' GLN . 5.7 ttpp -57.65 67.78 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 128.377 2.671 . . . . 0.0 110.616 161.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -95.09 -15.84 23.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -157.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.522 HE22 ' HG2' ' A' ' 5' ' ' LYS . 4.7 pm0 -52.98 -36.85 60.73 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -160.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.74 -42.84 9.91 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 122.049 0.928 . . . . 0.0 111.755 173.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.5 m -59.94 -39.23 84.81 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 129.062 2.945 . . . . 0.0 112.044 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.81 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 C-N-CA 125.679 1.592 . . . . 0.0 110.694 175.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -62.53 -55.16 30.03 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.773 0.715 . . . . 0.0 110.777 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -62.22 -46.57 88.28 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.216 0.606 . . . . 0.0 111.96 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -68.59 -37.17 79.6 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.446 0.566 . . . . 0.0 112.457 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.91 -36.64 82.73 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.233 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -62.14 -44.31 96.9 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.645 1.111 . . . . 0.0 112.206 169.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.3 -46.76 76.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.186 0.994 . . . . 0.0 110.44 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.3 -60.87 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.301 1.041 . . . . 0.0 111.771 168.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.413 HG23 ' CE1' ' A' ' 23' ' ' TYR . 4.1 mt -55.02 -24.33 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.716 1.606 . . . . 0.0 113.849 -176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -49.95 -34.73 21.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.07 1.348 . . . . 0.0 113.737 171.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.8 p -149.29 -5.03 0.39 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.577 2.065 . . . . 0.0 116.577 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.31 178.08 53.06 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.846 1.212 . . . . 0.0 113.08 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.42 109.6 21.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.611 1.564 . . . . 0.0 110.446 -173.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.413 ' CE1' HG23 ' A' ' 18' ' ' ILE . 41.5 p90 -123.75 168.36 12.81 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.098 1.759 . . . . 0.0 112.913 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -141.94 152.16 43.24 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.332 1.853 . . . . 0.0 110.733 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -137.14 118.93 15.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.853 1.261 . . . . 0.0 113.326 -162.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.53 160.85 36.91 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.647 1.118 . . . . 0.0 113.676 174.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.405 ' CE1' HD21 ' A' ' 56' ' ' LEU . 11.6 t80 -54.98 -62.39 1.69 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.45 1.1 . . . . 0.0 113.738 -163.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -54.31 -46.36 72.79 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.932 0.893 . . . . 0.0 111.928 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -55.08 -55.07 35.13 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.166 1.786 . . . . 0.0 111.815 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -65.61 -46.91 77.5 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 116.183 -1.865 . . . . 0.0 109.858 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -52.37 -51.08 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 122.88 2.582 . . . . 0.0 111.417 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -50.06 -48.48 52.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.85 1.26 . . . . 0.0 112.301 170.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -71.26 -46.01 61.91 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.308 1.443 . . . . 0.0 113.029 -175.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.42 -17.44 64.78 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.612 1.965 . . . . 0.0 112.069 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -52.1 5.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.517 1.527 . . . . 0.0 113.042 164.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -100.25 0.05 39.55 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -165.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.28 165.97 27.3 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 120.292 1.405 . . . . 0.0 114.288 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 70.71 4.43 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.237 1.415 . . . . 0.0 111.377 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.0 p -64.42 150.6 46.11 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.516 -0.74 . . . . 0.0 112.173 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -138.42 -22.44 1.01 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -144.77 130.08 18.72 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.21 1.404 . . . . 0.0 110.199 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.55 HG23 HG21 ' A' ' 65' ' ' THR . 16.4 pt -109.71 124.38 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.069 1.348 . . . . 0.0 110.968 165.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.4 mm -89.84 123.71 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 124.588 1.155 . . . . 0.0 107.922 162.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mt -109.92 108.75 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 166.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.0 51.2 1.68 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.276 2.231 . . . . 0.0 110.735 -176.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.07 169.38 17.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.477 1.511 . . . . 0.0 110.598 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.59 22.1 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 126.504 1.922 . . . . 0.0 113.657 176.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 m -52.97 109.8 1.65 Allowed Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 129.88 3.272 . . . . 0.0 112.022 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -78.25 173.49 13.79 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.6 2.867 . . . . 0.0 112.794 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -50.61 -48.41 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.354 1.862 . . . . 0.0 114.214 -167.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.92 -45.97 76.25 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.479 1.036 . . . . 0.0 111.09 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -46.14 87.71 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.373 1.869 . . . . 0.0 110.44 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -46.75 86.73 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.255 0.622 . . . . 0.0 110.132 174.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.2 m -59.47 -35.64 74.46 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.178 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -65.66 -47.46 75.45 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.526 1.057 . . . . 0.0 112.368 172.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.405 HD21 ' CE1' ' A' ' 27' ' ' TYR . 4.2 mt -60.77 -41.88 96.4 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.088 -1.007 . . . . 0.0 112.687 175.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.98 -39.33 89.23 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.96 2.104 . . . . 0.0 111.694 172.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -60.2 -48.71 80.59 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.761 1.225 . . . . 0.0 111.347 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -64.36 -37.72 88.51 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.048 -1.032 . . . . 0.0 112.718 174.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.04 74.66 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 170.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.9 ttp -77.94 -35.32 50.54 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.892 2.077 . . . . 0.0 113.891 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.5 -56.46 8.3 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.837 1.255 . . . . 0.0 110.802 173.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -60.55 -177.68 0.08 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.044 0.538 . . . . 0.0 110.18 157.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -116.94 66.18 0.72 Allowed 'General case' 0 N--CA 1.476 0.835 0 O-C-N 119.438 -2.039 . . . . 0.0 109.326 -178.732 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.55 HG21 HG23 ' A' ' 42' ' ' ILE . 87.8 m -125.47 130.49 51.92 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.775 1.23 . . . . 0.0 110.388 -156.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.99 149.34 32.27 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.745 -0.597 . . . . 0.0 110.321 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.01 131.94 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.921 1.288 . . . . 0.0 110.63 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -129.92 103.14 6.62 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.671 1.188 . . . . 0.0 111.274 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -79.97 76.49 6.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.734 1.214 . . . . 0.0 112.887 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.43 16.26 1.08 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.745 1.618 . . . . 0.0 111.261 170.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -57.21 -27.69 62.21 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.419 1.488 . . . . 0.0 111.376 154.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.37 124.72 7.76 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 123.637 0.637 . . . . 0.0 112.261 169.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.67 -57.2 4.21 Favored Glycine 0 N--CA 1.472 1.082 0 C-N-CA 124.738 1.161 . . . . 0.0 112.555 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CG ' ' H ' ' A' ' 75' ' ' ASN . 6.1 t-20 61.07 -158.14 0.33 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 160.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.415 ' H ' ' CG ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 61.53 -40.36 0.13 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 129.367 3.067 . . . . 0.0 116.187 -171.545 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -83.69 -10.16 58.36 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -154.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 tp -65.71 -24.06 66.9 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 -173.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.66 -42.51 45.0 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 124.11 0.862 . . . . 0.0 113.664 164.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 m -69.04 -16.12 63.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.153 1.381 . . . . 0.0 111.509 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -90.42 -52.07 5.1 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.484 1.114 . . . . 0.0 112.942 171.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.5 m -73.71 -18.39 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.87 23.97 73.36 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.632 1.587 . . . . 0.0 114.17 174.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -139.4 157.61 45.57 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.424 1.112 . . . . 0.0 112.672 -165.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.45 -39.91 61.64 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.714 2.406 . . . . 0.0 114.761 -166.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -51.59 -34.22 36.16 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.544 1.537 . . . . 0.0 114.339 -171.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . 0.25 37.2 ttt85 55.4 -33.85 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 130.526 3.531 . . . . 0.0 117.793 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.1 m -123.3 162.67 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 127.35 2.26 . . . . 0.0 109.59 172.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.49 -171.63 28.84 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-O 121.645 0.58 . . . . 0.0 114.011 -175.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p -100.97 135.76 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 124.666 1.186 . . . . 0.0 109.466 165.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.4 t -134.03 109.52 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 126.41 1.884 . . . . 0.0 107.401 -174.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 m -113.19 141.51 46.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.0 mm -116.76 131.51 69.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 C-N-CA 125.258 1.423 . . . . 0.0 108.609 -174.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.44 -60.53 1.55 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.288 1.835 . . . . 0.0 109.88 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.85 108.39 12.94 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.168 1.387 . . . . 0.0 109.114 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.02 -15.0 62.95 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.24 74.42 0.01 OUTLIER Glycine 0 CA--C 1.532 1.099 0 C-N-CA 127.478 2.466 . . . . 0.0 117.8 -148.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -153.39 -56.63 0.12 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.394 2.677 . . . . 0.0 107.033 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -106.68 -164.97 1.04 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.04 0.936 . . . . 0.0 110.108 144.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -105.17 -3.01 23.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -168.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.4 tt -39.09 -39.07 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -137.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -9.04 0.24 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 168.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 p -93.09 -57.94 2.47 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 120.643 1.565 . . . . 0.0 111.689 164.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.2 p -72.74 -27.99 62.37 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.129 1.371 . . . . 0.0 113.966 -171.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.23 -6.85 27.35 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.894 1.678 . . . . 0.0 113.139 -176.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.992 0 C-N-CA 125.423 1.489 . . . . 0.0 113.283 177.265 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.31 73.15 2.16 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 124.14 3.227 . . . . 0.0 112.025 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -52.99 117.88 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.712 1.605 . . . . 0.0 112.471 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.92 5.96 46.52 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.369 1.468 . . . . 0.0 114.935 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -63.38 95.37 0.09 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 159.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -52.83 -41.51 64.28 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.099 1.359 . . . . 0.0 111.472 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -49.2 -66.38 0.41 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.034 1.334 . . . . 0.0 110.099 168.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -65.94 -38.76 89.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 118.599 -0.715 . . . . 0.0 112.299 -163.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -49.69 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 119.042 0.837 . . . . 0.0 110.62 171.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -57.66 -54.03 51.43 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.936 1.294 . . . . 0.0 111.569 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -52.4 63.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.535 1.934 . . . . 0.0 112.088 174.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 54.4 tttp -64.74 -32.02 73.51 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 118.784 0.72 . . . . 0.0 112.135 176.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.81 -32.22 73.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.41 -1.432 . . . . 0.0 112.656 173.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.1 -38.9 93.0 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.532 1.06 . . . . 0.0 112.575 164.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.19 -28.28 67.83 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.587 0.755 . . . . 0.0 112.081 171.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.39 -65.01 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 119.495 1.043 . . . . 0.0 109.217 163.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 mt -57.33 -19.92 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 125.73 1.612 . . . . 0.0 113.993 -168.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -53.58 -31.63 47.54 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.618 1.099 . . . . 0.0 113.851 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 p -155.92 -5.59 0.12 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -171.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.48 156.82 18.36 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 125.563 1.554 . . . . 0.0 113.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -85.7 112.7 21.28 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.503 0.721 . . . . 0.0 110.988 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -113.08 169.23 9.08 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.583 1.553 . . . . 0.0 112.812 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -141.95 153.46 44.36 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.211 1.804 . . . . 0.0 110.921 172.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.5 mt -134.85 127.21 30.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.629 1.571 . . . . 0.0 113.75 -167.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.45 149.73 10.69 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.272 1.415 . . . . 0.0 112.93 173.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.453 ' CE1' HD21 ' A' ' 56' ' ' LEU . 24.7 t80 -45.25 -55.93 5.36 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.18 1.792 . . . . 0.0 112.973 -164.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -39.94 -59.92 1.12 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.45 1.9 . . . . 0.0 113.043 171.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -70.16 -43.87 69.97 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 127.856 2.463 . . . . 0.0 112.149 -166.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.256 8.8 t -60.79 -64.74 0.85 Allowed 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 116.216 -1.85 . . . . 0.0 108.64 166.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.0 t -49.26 -45.58 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 121.823 2.102 . . . . 0.0 113.464 -174.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -43.78 -66.07 0.43 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.385 1.474 . . . . 0.0 111.147 164.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 m -62.69 -31.57 72.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.487 1.515 . . . . 0.0 113.873 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.6 -45.86 57.06 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.659 1.184 . . . . 0.0 111.081 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 mtt-85 -62.83 -31.5 72.51 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.241 1.017 . . . . 0.0 112.145 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -72.61 -4.24 29.68 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.565 1.146 . . . . 0.0 114.034 167.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.65 2.56 51.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.324 1.44 . . . . 0.0 115.306 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.28 0.05 57.41 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.628 1.214 . . . . 0.0 113.626 -167.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -69.46 161.4 29.53 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.162 0.985 . . . . 0.0 112.968 166.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -130.95 -16.95 3.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.079 0.951 . . . . 0.0 113.01 158.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.572 HD11 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -145.04 138.56 26.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.071 1.348 . . . . 0.0 109.594 176.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.415 HG23 HG21 ' A' ' 65' ' ' THR . 23.0 pt -116.64 142.7 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.746 1.218 . . . . 0.0 111.336 165.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.572 HD11 HD11 ' A' ' 41' ' ' LEU . 40.4 mm -117.28 110.76 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 126.248 1.819 . . . . 0.0 109.079 177.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 mt -99.98 97.46 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.24 17.09 17.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.965 2.106 . . . . 0.0 111.497 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.62 148.61 30.2 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.852 -1.155 . . . . 0.0 108.481 160.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -77.42 87.59 3.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 171.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.7 m -105.07 122.33 43.49 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 126.129 1.772 . . . . 0.0 112.512 -150.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.7 156.83 53.01 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.533 2.155 . . . . 0.0 112.331 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.7 t -50.56 -54.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.827 1.651 . . . . 0.0 113.178 -167.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 99.0 mt -63.37 -22.22 66.75 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -40.69 12.02 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.376 -0.828 . . . . 0.0 110.505 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -58.41 -49.13 78.39 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 169.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.2 m -77.93 -19.75 54.06 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.502 -1.237 . . . . 0.0 113.462 -170.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -67.08 -41.24 86.67 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 120.993 1.724 . . . . 0.0 112.644 160.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD21 ' CE1' ' A' ' 27' ' ' TYR . 5.7 mt -60.81 -44.0 97.46 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.07 1.304 . . . . 0.0 113.597 172.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -56.15 -44.43 79.25 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.747 2.419 . . . . 0.0 110.269 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -59.99 -46.58 88.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.194 1.398 . . . . 0.0 112.148 171.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.13 -39.23 92.75 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.067 1.303 . . . . 0.0 113.092 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.78 -33.52 68.63 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 170.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.7 ttp -80.29 -36.26 34.67 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.62 1.968 . . . . 0.0 113.92 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.06 -55.35 14.72 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.254 1.422 . . . . 0.0 110.914 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.3 p -61.4 -175.91 0.06 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.239 0.615 . . . . 0.0 110.245 157.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -122.2 89.64 3.15 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.148 -1.595 . . . . 0.0 108.249 172.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.415 HG21 HG23 ' A' ' 42' ' ' ILE . 81.1 m -143.24 138.52 29.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.132 1.373 . . . . 0.0 110.846 -157.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -78.33 124.0 27.61 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.537 1.135 . . . . 0.0 110.47 174.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.4 t -85.72 127.11 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.156 0.582 . . . . 0.0 110.135 167.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -122.23 120.24 33.56 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.071 0.948 . . . . 0.0 111.952 167.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.14 97.68 9.49 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.551 1.14 . . . . 0.0 110.856 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -79.95 -15.61 56.95 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.523 1.129 . . . . 0.0 112.498 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -51.95 91.44 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.287 2.235 . . . . 0.0 113.688 -160.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.14 5.43 75.32 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.717 2.103 . . . . 0.0 114.378 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.97 -57.91 3.12 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-N 118.924 1.362 . . . . 0.0 111.888 -170.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -67.79 -39.77 83.99 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 128.126 2.57 . . . . 0.0 113.601 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 51.46 57.08 6.97 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.518 2.327 . . . . 0.0 115.277 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 76' ' ' GLU . 5.0 pm0 -49.73 0.6 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 130.758 3.623 . . . . 0.0 117.559 171.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.5 -18.34 58.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.458 2.303 . . . . 0.0 114.286 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.74 -32.79 8.6 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.987 0.803 . . . . 0.0 112.774 165.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 m -56.62 -48.31 77.75 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.67 1.588 . . . . 0.0 111.987 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.13 84.76 Favored 'General case' 0 C--N 1.341 0.22 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.3 m -88.92 -20.88 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -170.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.58 -37.44 1.02 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 126.078 1.799 . . . . 0.0 113.496 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.1 90.82 1.21 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.348 1.459 . . . . 0.0 108.132 166.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.9 mt -63.19 34.0 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 128.007 2.523 . . . . 0.0 116.95 -167.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -22.16 60.46 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 120.346 -1.471 . . . . 0.0 114.69 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 63.94 -79.79 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.875 2.47 . . . . 0.0 112.761 163.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.6 t -79.35 83.06 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 125.339 1.456 . . . . 0.0 108.261 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.58 169.76 39.45 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 -167.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.6 p -101.5 134.71 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.48 1.112 . . . . 0.0 111.23 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.7 t -114.0 159.26 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.647 1.579 . . . . 0.0 107.398 170.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 m -148.89 150.46 33.0 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 119.522 -1.986 . . . . 0.0 109.901 165.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.455 HG12 HD12 ' A' ' 41' ' ' LEU . 46.6 mm -111.93 130.11 66.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 125.196 1.398 . . . . 0.0 109.199 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.16 -45.95 6.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.613 1.965 . . . . 0.0 111.161 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -143.67 116.11 8.57 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.488 1.915 . . . . 0.0 109.324 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.96 76.39 0.64 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.574 1.15 . . . . 0.0 112.648 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.26 58.66 0.42 Allowed Glycine 0 CA--C 1.533 1.17 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 156.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 98' ' ' SER . 31.8 t70 -111.84 -120.12 0.29 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.294 2.638 . . . . 0.0 108.599 -169.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.506 ' H ' ' CG ' ' A' ' 97' ' ' ASP . 2.0 t -108.37 -80.77 0.57 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 130.473 3.509 . . . . 0.0 105.218 139.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.47 -14.77 12.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 130.125 3.37 . . . . 0.0 118.832 -169.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.425 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 11.4 tt -38.63 -59.38 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -139.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 101' ' ' LEU 0.352 0.0 OUTLIER -78.38 0.84 24.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -171.4 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.7 p -80.17 -34.36 37.62 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.655 1.182 . . . . 0.0 112.281 159.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.3 p -105.21 -28.95 10.65 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.434 1.494 . . . . 0.0 113.506 -169.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -10.17 59.41 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.87 1.668 . . . . 0.0 113.027 173.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.477 1.511 . . . . 0.0 114.056 -169.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -45.4 118.81 2.28 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.957 3.105 . . . . 0.0 112.157 172.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.6 t -48.96 -55.11 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.586 1.554 . . . . 0.0 113.058 -156.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 5.47 0.73 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -90.12 -23.81 21.27 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.594 1.088 . . . . 0.0 112.999 161.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -77.14 -26.32 52.98 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -160.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.08 -39.52 25.56 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.127 1.331 . . . . 0.0 111.558 170.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m -65.95 -48.78 70.19 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 126.133 1.773 . . . . 0.0 111.514 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -49.15 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.122 0.969 . . . . 0.0 108.965 173.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -64.68 -50.74 65.83 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.865 1.266 . . . . 0.0 111.86 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -57.27 -52.62 64.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.944 0.898 . . . . 0.0 111.295 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 50.8 tttp -65.6 -33.73 76.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.018 0.927 . . . . 0.0 112.229 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.68 -43.95 71.48 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.825 1.25 . . . . 0.0 111.373 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.74 98.31 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.661 1.118 . . . . 0.0 111.592 172.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tt -53.71 -42.98 68.62 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.257 1.023 . . . . 0.0 111.518 171.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 t -63.63 -53.3 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.223 1.409 . . . . 0.0 112.809 171.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.0 mt -54.9 -19.85 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.648 1.979 . . . . 0.0 113.613 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -48.02 -37.62 15.26 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.816 1.646 . . . . 0.0 113.771 165.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.6 p -150.8 -12.06 0.23 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.43 160.45 45.71 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 119.861 1.209 . . . . 0.0 112.765 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HB2' ' H ' ' A' ' 94' ' ' GLU . 3.9 mmmm -82.6 110.43 17.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.602 1.161 . . . . 0.0 111.987 -175.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -119.5 175.81 5.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.546 1.539 . . . . 0.0 113.179 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -148.2 147.39 29.36 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.45 1.9 . . . . 0.0 110.487 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.423 HD23 HG13 ' A' ' 90' ' ' VAL . 74.0 mt -132.42 126.42 33.07 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.046 1.339 . . . . 0.0 113.684 -166.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.51 149.46 16.49 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.898 1.237 . . . . 0.0 113.038 175.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CE2' HD21 ' A' ' 56' ' ' LEU . 36.9 t80 -48.87 -55.68 10.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.447 1.499 . . . . 0.0 112.726 -164.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -39.74 -58.58 1.31 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.659 1.983 . . . . 0.0 112.352 170.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -65.96 -53.42 39.3 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.449 1.9 . . . . 0.0 110.775 -170.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -56.44 -58.68 6.97 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 116.84 -1.552 . . . . 0.0 109.528 173.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.44 HG21 ' CE1' ' A' ' 27' ' ' TYR . 71.3 t -49.9 -48.41 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 121.861 2.119 . . . . 0.0 113.097 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -55.16 -51.7 65.65 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.91 0.777 . . . . 0.0 111.916 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 m -60.56 -42.39 96.48 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.854 1.662 . . . . 0.0 113.032 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -71.19 -39.49 71.77 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.613 1.165 . . . . 0.0 111.507 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -73.64 -37.49 65.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 118.368 -0.825 . . . . 0.0 112.409 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -106.12 -13.45 15.44 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -174.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.35 175.08 20.07 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 120.473 1.488 . . . . 0.0 115.52 -168.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.93 53.34 1.38 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.378 1.871 . . . . 0.0 113.23 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.3 p -56.18 131.16 47.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.738 1.215 . . . . 0.0 113.251 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -113.86 -34.27 5.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -144.58 135.08 24.56 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.238 1.415 . . . . 0.0 109.652 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.0 pt -113.7 131.26 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.705 0.802 . . . . 0.0 111.266 170.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.2 mm -96.21 127.24 48.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 125.75 1.62 . . . . 0.0 107.746 170.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.2 mt -123.82 90.02 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 170.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.46 61.99 0.64 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.725 1.61 . . . . 0.0 110.881 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.22 165.38 27.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.248 1.019 . . . . 0.0 110.984 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.2 53.84 0.84 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.618 1.167 . . . . 0.0 110.747 170.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -70.12 117.98 59.45 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 126.255 1.822 . . . . 0.0 113.474 -162.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.77 149.19 51.64 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.242 2.628 . . . . 0.0 113.122 171.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.6 t -53.63 -51.0 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.065 1.346 . . . . 0.0 112.747 -172.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.96 -21.19 66.8 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -43.84 10.22 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.229 -0.92 . . . . 0.0 110.041 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -50.45 73.35 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 118.699 -0.667 . . . . 0.0 109.444 170.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 m -72.66 -21.44 61.08 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -65.99 -42.29 89.96 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 121.562 1.983 . . . . 0.0 112.318 163.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 27' ' ' TYR . 8.3 mt -63.11 -41.78 99.43 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.795 -1.19 . . . . 0.0 113.255 174.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -56.79 -43.08 80.55 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 127.029 2.132 . . . . 0.0 111.281 171.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -57.97 -51.09 71.08 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.446 1.099 . . . . 0.0 111.39 170.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -63.45 -35.02 79.06 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.365 -0.834 . . . . 0.0 113.157 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.31 99.11 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.496 1.043 . . . . 0.0 113.21 167.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -60.23 -22.72 63.37 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.365 1.866 . . . . 0.0 113.202 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.1 mt -63.39 82.63 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 122.568 1.175 . . . . 0.0 109.404 158.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.8 p -61.23 23.82 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 130.81 3.644 . . . . 0.0 119.608 -136.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -65.47 -19.73 66.06 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.823 1.649 . . . . 0.0 112.627 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.8 m -133.69 160.16 38.38 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.194 -0.941 . . . . 0.0 112.897 -146.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.62 163.7 22.86 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.629 1.172 . . . . 0.0 111.49 169.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.5 t -117.55 137.87 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.817 1.647 . . . . 0.0 111.022 -172.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -132.35 100.76 5.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.906 1.282 . . . . 0.0 111.022 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -79.13 116.14 19.23 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.494 1.518 . . . . 0.0 110.831 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -129.07 68.81 1.4 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.875 1.27 . . . . 0.0 111.277 -164.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -58.09 -28.35 64.51 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -173.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.73 -18.53 72.3 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 119.869 1.213 . . . . 0.0 114.158 173.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.95 -2.67 87.12 Favored Glycine 0 CA--C 1.535 1.315 0 CA-C-O 117.752 -1.582 . . . . 0.0 114.04 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -52.57 -17.42 1.26 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.805 1.642 . . . . 0.0 113.118 167.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -127.72 -32.26 2.38 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 162.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -91.72 -15.52 28.27 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 -170.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.4 tp -67.23 -24.05 65.78 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 121.019 1.736 . . . . 0.0 110.181 161.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.82 -16.85 53.08 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-O 119.038 -0.868 . . . . 0.0 114.441 164.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -80.12 -18.1 50.76 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.622 1.711 . . . . 0.0 111.438 168.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.13 -45.83 8.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.747 1.219 . . . . 0.0 113.317 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 m -121.3 6.11 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -169.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.66 118.66 4.51 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 125.013 1.292 . . . . 0.0 113.002 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -59.58 -1.09 0.21 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.46 -45.62 56.19 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.506 1.123 . . . . 0.0 110.558 155.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -64.65 139.84 58.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.668 0.747 . . . . 0.0 112.301 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.98 -50.11 0.88 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.896 1.678 . . . . 0.0 110.667 172.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.4 t -69.0 80.66 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 158.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.16 63.26 2.9 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.682 1.134 . . . . 0.0 112.353 -174.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.8 p -97.38 115.99 38.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.748 0.785 . . . . 0.0 110.436 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.423 HG13 HD23 ' A' ' 25' ' ' LEU . 85.0 t -137.47 159.79 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 125.58 1.552 . . . . 0.0 107.972 -174.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.8 m -149.79 156.1 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 119.361 -2.087 . . . . 0.0 110.531 171.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.8 mm -123.61 138.35 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.066 1.746 . . . . 0.0 109.011 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.23 -67.4 0.99 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.393 1.477 . . . . 0.0 110.266 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' H ' ' HB2' ' A' ' 22' ' ' LYS . 14.6 mp0 -114.79 92.76 4.05 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.475 1.51 . . . . 0.0 109.06 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.4 52.62 0.19 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.808 1.243 . . . . 0.0 112.385 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.17 41.21 0.9 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 126.251 1.881 . . . . 0.0 114.115 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -142.51 -83.42 0.18 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.811 1.644 . . . . 0.0 109.353 -173.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 t -108.8 152.33 25.02 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 123.379 1.561 . . . . 0.0 112.06 161.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -52.0 3.86 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.836 1 C-N-CA 136.354 5.862 . . . . 0.0 117.719 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.438 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 16.2 tt -46.84 -43.83 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -158.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.305 0.0 OUTLIER -98.3 4.48 48.72 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -170.578 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.8 p -58.97 -62.11 2.13 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.783 1.233 . . . . 0.0 110.422 169.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.0 t -62.88 -5.32 2.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.54 1.536 . . . . 0.0 114.899 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.2 mt -104.49 -12.78 16.31 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.136 1.375 . . . . 0.0 113.435 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.216 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -147.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.55 -176.06 0.04 OUTLIER 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.056 2.504 . . . . 0.0 112.311 153.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -47.07 -24.07 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -171.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.34 3.03 0.32 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.059 2.144 . . . . 0.0 115.662 165.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.84 58.78 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.976 1 C-N-CA 132.999 4.519 . . . . 0.0 116.923 -178.452 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.495 ' HA ' HG22 ' A' ' 10' ' ' ILE . 18.5 pt20 -65.66 -22.87 66.68 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -43.82 96.14 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.587 -0.696 . . . . 0.0 111.904 170.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m -84.5 -40.26 17.87 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.221 1.808 . . . . 0.0 112.395 -174.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -57.47 -37.73 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -46.46 75.11 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.734 1.614 . . . . 0.0 112.167 177.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.92 -54.29 37.01 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.813 0.845 . . . . 0.0 109.979 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.6 -42.67 93.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.815 0.846 . . . . 0.0 111.475 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.14 -49.9 65.85 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.739 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -37.61 84.65 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 120.607 1.549 . . . . 0.0 112.444 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.69 -44.47 77.4 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 123.862 0.865 . . . . 0.0 111.119 169.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.7 -47.99 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.685 1.194 . . . . 0.0 112.791 174.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.417 HG23 ' CE1' ' A' ' 23' ' ' TYR . 7.3 mm -50.94 -28.74 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.716 2.006 . . . . 0.0 113.184 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -57.96 -24.5 58.25 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 p -140.76 -17.31 0.86 Allowed 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.226 1.935 . . . . 0.0 116.226 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.07 148.3 26.88 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 119.535 1.061 . . . . 0.0 113.747 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -79.0 113.36 17.07 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.221 1.008 . . . . 0.0 111.577 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' CE1' HG23 ' A' ' 18' ' ' ILE . 25.3 p90 -119.08 169.21 10.12 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -140.86 147.56 39.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 127.217 2.207 . . . . 0.0 109.725 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.0 mt -136.01 130.53 33.69 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.704 1.202 . . . . 0.0 113.993 -168.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.64 155.57 27.32 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.564 1.078 . . . . 0.0 112.933 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CE1' HD21 ' A' ' 56' ' ' LEU . 21.1 t80 -52.54 -60.62 3.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.649 1.18 . . . . 0.0 113.38 -162.626 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.66 -43.73 76.56 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.978 0.911 . . . . 0.0 112.543 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.52 -55.95 28.48 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.65 1.58 . . . . 0.0 111.754 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -61.71 -53.51 55.11 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 116.919 -1.515 . . . . 0.0 109.469 175.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.6 t -47.25 -49.62 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 121.83 2.105 . . . . 0.0 112.429 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -54.36 -56.14 21.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.93 0.892 . . . . 0.0 112.026 170.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -58.36 -41.75 85.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.27 1.828 . . . . 0.0 113.527 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.9 mt -73.63 -38.24 65.09 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.478 1.511 . . . . 0.0 111.44 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -68.31 -23.04 64.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.601 0.637 . . . . 0.0 112.446 172.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.9 3.33 8.4 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.823 1.249 . . . . 0.0 113.822 162.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.6 -40.97 2.48 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.778 1.656 . . . . 0.0 116.343 158.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.18 7.68 4.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -168.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.4 p -65.67 159.66 24.45 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.204 1.365 . . . . 0.0 112.187 174.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -134.42 -21.53 1.78 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' A' ' 43' ' ' ILE . 2.1 tm? -142.43 132.61 24.69 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.261 1.024 . . . . 0.0 110.832 173.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.714 HG23 HG21 ' A' ' 65' ' ' THR . 16.8 pt -113.77 138.56 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.733 1.213 . . . . 0.0 111.228 163.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.48 ' CD1' HD11 ' A' ' 41' ' ' LEU . 31.8 mm -112.2 119.6 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.017 1.327 . . . . 0.0 108.184 169.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.6 mt -100.87 110.41 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 171.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.12 59.48 0.94 Allowed 'General case' 0 C--N 1.344 0.334 0 C-N-CA 125.796 1.638 . . . . 0.0 111.923 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.7 150.83 37.98 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 126.053 1.741 . . . . 0.0 109.256 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -68.85 77.45 0.31 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.289 1.436 . . . . 0.0 109.323 174.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 84.0 m -97.68 118.13 64.49 Favored Pre-proline 0 N--CA 1.47 0.565 0 C-N-CA 125.119 1.367 . . . . 0.0 111.153 -154.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.83 146.37 36.28 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.114 2.543 . . . . 0.0 113.036 173.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.67 -46.42 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.281 1.032 . . . . 0.0 111.908 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.87 -48.98 76.88 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.1 0.56 . . . . 0.0 111.524 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -49.13 77.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.389 1.876 . . . . 0.0 110.737 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -61.6 -44.51 96.86 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.334 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 p -57.88 -34.99 70.37 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.541 0.736 . . . . 0.0 112.712 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.88 -46.6 71.2 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.307 0.958 . . . . 0.0 111.192 174.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' A' ' 27' ' ' TYR . 4.1 mt -60.64 -41.12 94.31 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.512 -0.743 . . . . 0.0 112.854 175.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.89 -39.46 94.55 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.116 2.566 . . . . 0.0 111.502 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -61.82 -47.44 85.07 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.312 1.445 . . . . 0.0 111.708 169.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -65.69 -37.45 86.5 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.051 -1.03 . . . . 0.0 112.85 174.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.97 -36.78 70.74 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 170.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.9 ttp -76.82 -34.74 57.89 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.728 2.011 . . . . 0.0 114.078 175.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.22 -52.64 25.74 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.938 1.295 . . . . 0.0 111.557 173.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.5 p -61.15 -173.07 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.125 0.97 . . . . 0.0 110.437 156.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -120.9 62.83 0.87 Allowed 'General case' 0 N--CA 1.479 1.022 0 O-C-N 119.372 -2.08 . . . . 0.0 110.094 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.714 HG21 HG23 ' A' ' 42' ' ' ILE . 93.4 m -114.42 135.62 53.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.644 -159.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -78.27 128.37 33.62 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.46 130.66 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 167.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -127.13 144.21 51.09 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.789 0.836 . . . . 0.0 110.765 170.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -115.3 108.11 16.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.979 1.312 . . . . 0.0 109.304 -177.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.05 86.68 2.5 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -73.98 78.72 1.68 Allowed 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -150.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.75 172.17 51.24 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 126.797 2.141 . . . . 0.0 111.158 166.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.01 -7.87 60.26 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.904 2.192 . . . . 0.0 114.237 -6.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -41.26 75.65 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.836 2.454 . . . . 0.0 112.428 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -150.82 119.55 6.56 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.316 1.447 . . . . 0.0 107.414 166.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -137.56 175.1 9.9 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -156.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -132.9 14.8 4.31 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.9 -41.2 20.54 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-N 120.488 1.495 . . . . 0.0 110.836 157.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.1 m -47.41 -38.18 12.83 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.711 2.405 . . . . 0.0 114.563 166.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.31 -51.98 13.59 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.632 1.105 . . . . 0.0 111.529 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m -96.25 -25.34 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -159.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.42 -5.95 0.78 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.693 1.139 . . . . 0.0 114.477 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt 73.14 -62.11 0.48 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 129.174 2.989 . . . . 0.0 112.235 163.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.28 -65.58 0.66 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.407 1.883 . . . . 0.0 110.947 -179.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.34 164.5 13.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.693 0.797 . . . . 0.0 112.82 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.34 144.75 50.76 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.845 1.658 . . . . 0.0 109.536 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 t 72.88 142.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 127.829 2.452 . . . . 0.0 112.114 171.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 147.14 -174.03 27.08 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 121.238 -0.914 . . . . 0.0 114.819 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 p -101.98 139.15 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.163 1.385 . . . . 0.0 110.559 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.1 t -113.2 153.64 14.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 126.943 2.097 . . . . 0.0 107.604 172.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.415 ' OG ' HG22 ' A' ' 42' ' ' ILE . 4.8 m -144.89 154.05 42.21 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 120.14 -1.6 . . . . 0.0 110.592 159.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 mm -124.43 137.49 57.08 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 125.155 1.382 . . . . 0.0 109.315 -177.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.86 -50.15 2.7 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.015 1.726 . . . . 0.0 112.291 -169.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.42 93.83 2.94 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.961 1.305 . . . . 0.0 110.2 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.09 84.23 1.8 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.033 -0.417 . . . . 0.0 109.941 164.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.24 39.93 0.46 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.429 1.014 . . . . 0.0 112.606 166.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -153.86 -148.42 0.25 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.005 2.122 . . . . 0.0 108.793 -156.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -56.78 147.66 22.52 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 124.301 2.0 . . . . 0.0 111.548 166.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -51.87 4.22 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.651 1 C-N-CA 135.494 5.518 . . . . 0.0 117.574 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.5 tt -49.65 -47.79 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 120.549 1.522 . . . . 0.0 113.625 -163.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -9.88 58.96 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.3 t -105.8 -9.34 17.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 117.508 -1.234 . . . . 0.0 113.926 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.5 p -105.34 -24.68 12.64 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.402 1.455 . . . . 0.0 113.831 174.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.4 mt -82.92 -4.62 58.4 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 163.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.324 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 -143.051 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 115.623 -2.132 . . . . 0.0 107.809 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 2' ' ' ALA 0.294 10.6 Cg_exo -37.65 9.69 0.0 OUTLIER 'Trans proline' 0 CA--C 1.547 1.14 2 C-N-CA 130.125 7.217 . . . . 0.0 125.606 -142.635 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.4 t -59.61 142.77 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 120.728 -1.233 . . . . 0.0 108.213 142.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -81.26 44.45 0.78 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -156.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 p -62.25 156.0 23.22 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.279 1.032 . . . . 0.0 111.075 164.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -68.57 -28.15 66.7 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.208 -0.932 . . . . 0.0 111.467 169.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -53.35 -50.33 65.27 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.496 1.518 . . . . 0.0 111.833 164.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -55.28 -48.34 74.18 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 117.568 -1.206 . . . . 0.0 113.519 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -43.19 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 120.405 1.457 . . . . 0.0 110.591 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -54.26 -57.05 12.66 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.2 1.0 . . . . 0.0 111.312 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -54.75 -55.74 26.71 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.6 1.96 . . . . 0.0 111.431 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -63.18 -36.47 83.72 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.4 1.48 . . . . 0.0 111.982 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.66 -38.28 83.58 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.718 0.69 . . . . 0.0 111.614 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.65 83.0 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.188 0.904 . . . . 0.0 112.458 169.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.33 -40.29 64.75 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.04 1.336 . . . . 0.0 110.903 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 t -62.59 -63.57 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.909 1.684 . . . . 0.0 111.967 166.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.8 mt -56.46 -17.86 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.944 1.697 . . . . 0.0 114.648 -174.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -47.06 -36.9 8.66 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.262 1.825 . . . . 0.0 113.608 161.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -149.46 -12.24 0.3 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 -168.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.63 167.17 20.89 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.848 1.689 . . . . 0.0 113.352 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -99.79 118.45 36.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.946 1.299 . . . . 0.0 111.503 -169.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -128.84 170.09 13.79 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.326 1.45 . . . . 0.0 114.268 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.6 t -139.83 161.91 36.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.781 2.432 . . . . 0.0 110.11 169.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.28 151.62 40.73 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.182 1.793 . . . . 0.0 112.444 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.63 157.35 26.79 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.152 1.358 . . . . 0.0 112.52 174.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.497 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 66.4 t80 -67.0 -77.05 0.07 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.132 1.466 . . . . 0.0 114.461 -165.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -66.92 -19.89 65.81 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.54 -1.35 . . . . 0.0 111.948 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 t -57.28 -59.95 4.35 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 128.439 2.696 . . . . 0.0 113.151 163.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.255 14.7 t -63.54 -40.5 97.18 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-O 117.395 -1.288 . . . . 0.0 110.908 173.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 59' ' ' TYR . 54.1 t -48.71 -55.52 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 121.818 2.099 . . . . 0.0 112.179 172.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -55.85 -45.46 78.43 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.84 1.656 . . . . 0.0 111.862 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 m -57.74 -56.74 18.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.212 1.405 . . . . 0.0 111.692 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.19 -35.31 78.46 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 127.105 2.162 . . . . 0.0 112.087 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -64.66 -33.25 75.5 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.137 0.975 . . . . 0.0 113.046 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -105.46 -15.21 15.07 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.99 156.14 26.83 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 120.485 1.493 . . . . 0.0 115.254 -171.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 91.93 1.24 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.373 1.869 . . . . 0.0 111.425 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -71.35 169.36 15.44 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.686 -0.634 . . . . 0.0 111.754 156.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -136.46 -14.23 1.72 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 157.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.431 HD11 HD11 ' A' ' 43' ' ' ILE . 1.2 tm? -141.29 131.97 25.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.281 1.032 . . . . 0.0 110.222 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 pt -112.45 146.83 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.857 1.263 . . . . 0.0 111.05 165.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.525 HG21 HD22 ' A' ' 77' ' ' LEU . 18.1 mm -122.59 136.73 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.37 1.068 . . . . 0.0 109.348 170.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.19 96.28 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 124.294 1.038 . . . . 0.0 109.315 169.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -110.31 50.53 0.8 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.141 1.777 . . . . 0.0 109.529 159.655 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.69 138.75 52.9 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.803 1.641 . . . . 0.0 107.162 162.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -63.51 83.12 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.379 1.472 . . . . 0.0 111.331 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 95.1 m -106.58 108.47 61.92 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 126.531 1.932 . . . . 0.0 111.568 -159.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.49 168.3 22.92 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.746 2.297 . . . . 0.0 113.193 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -52.33 -52.21 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.359 1.463 . . . . 0.0 113.789 -165.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.76 -32.24 73.67 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.882 1.219 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.497 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -71.78 -45.92 60.01 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 126.143 1.777 . . . . 0.0 110.712 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -65.53 -42.15 92.3 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.064 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -55.69 -42.76 75.67 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 124.459 1.104 . . . . 0.0 111.545 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.11 -56.62 17.83 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.482 1.037 . . . . 0.0 111.195 169.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.84 -44.54 86.55 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.283 0.947 . . . . 0.0 113.066 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -62.92 -35.75 81.1 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.56 2.344 . . . . 0.0 111.694 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -62.98 -49.0 76.4 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.719 1.208 . . . . 0.0 111.459 169.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.548 ' CE2' HG13 ' A' ' 31' ' ' VAL . 29.1 m-85 -66.0 -35.96 81.99 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.422 -0.799 . . . . 0.0 112.389 177.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.26 81.02 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.952 0.796 . . . . 0.0 112.352 167.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -57.68 -43.32 85.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.951 1.301 . . . . 0.0 112.56 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -61.05 2.78 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.967 0.803 . . . . 0.0 111.224 173.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.4 p -75.4 42.33 0.21 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.453 2.301 . . . . 0.0 114.186 -173.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' H ' ' HD2' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -31.87 98.12 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.854 1.261 . . . . 0.0 112.82 -134.235 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -132.46 146.02 51.62 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 128.162 2.585 . . . . 0.0 110.237 -162.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -78.94 146.92 33.22 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.483 1.513 . . . . 0.0 110.614 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.3 t -117.5 144.85 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.824 1.25 . . . . 0.0 110.372 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -140.34 152.75 46.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.902 0.881 . . . . 0.0 112.277 170.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -126.72 85.75 2.42 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.406 1.482 . . . . 0.0 110.509 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.711 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER -82.14 59.17 4.3 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 122.963 1.363 . . . . 0.0 108.52 177.368 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -82.08 52.54 2.01 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.104 1.362 . . . . 0.0 113.513 -160.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.44 -39.71 91.38 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 135.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.49 29.35 55.84 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.804 1.192 . . . . 0.0 113.684 169.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -133.66 -101.3 0.25 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.66 1.23 . . . . 0.0 112.51 -173.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -138.91 8.01 2.51 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.534 1.934 . . . . 0.0 111.566 -166.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -56.01 27.36 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 127.487 2.315 . . . . 0.0 110.559 172.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 43' ' ' ILE . 42.8 tp -74.76 -19.6 60.15 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.822 1.249 . . . . 0.0 112.048 170.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.27 -28.89 4.73 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.355 0.979 . . . . 0.0 112.955 165.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -58.17 -39.12 78.05 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.213 1.805 . . . . 0.0 113.215 171.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.16 -18.74 55.17 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.9 -14.31 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.68 30.14 0.5 Allowed Glycine 0 CA--C 1.537 1.468 0 N-CA-C 117.804 1.882 . . . . 0.0 117.804 161.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? 58.22 -69.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 128.327 2.651 . . . . 0.0 116.101 175.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.67 139.25 53.48 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.084 1.354 . . . . 0.0 112.582 -172.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.5 p90 56.61 -22.5 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 128.684 2.794 . . . . 0.0 117.645 -165.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -58.87 78.76 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.517 2.327 . . . . 0.0 114.663 -171.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 m -60.11 123.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 143.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -78.87 40.93 2.12 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 121.495 -0.753 . . . . 0.0 114.813 -162.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.42 116.52 31.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 118.313 1.057 . . . . 0.0 109.178 169.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 t -132.0 155.59 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.791 1.637 . . . . 0.0 109.058 -166.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.4 m -147.82 148.87 31.37 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 120.374 -1.454 . . . . 0.0 110.898 163.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.1 mm -125.53 133.27 69.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 126.083 1.753 . . . . 0.0 109.442 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.48 -56.11 2.27 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.05 2.14 . . . . 0.0 111.446 -171.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -131.57 111.71 11.98 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.484 1.514 . . . . 0.0 108.471 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.78 -29.19 19.96 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -173.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.22 -5.61 0.3 Allowed Glycine 0 CA--C 1.539 1.589 0 N-CA-C 120.918 3.127 . . . . 0.0 120.918 -113.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -112.64 84.24 1.95 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.71 1.755 . . . . 0.0 108.645 169.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -105.41 -178.18 3.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 129.545 3.138 . . . . 0.0 114.042 8.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -53.52 23.13 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.078 1 C-N-CA 134.396 5.078 . . . . 0.0 117.866 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 tt -62.53 -21.62 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 121.097 1.771 . . . . 0.0 114.441 -166.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.32 0.0 OUTLIER -89.26 -15.69 32.96 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.015 2.126 . . . . 0.0 115.886 169.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.2 m -86.27 -56.92 3.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.914 1.686 . . . . 0.0 109.463 170.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -87.15 -152.53 0.19 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.205 1.402 . . . . 0.0 108.53 170.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -109.31 0.32 Allowed 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.105 -1.622 . . . . 0.0 108.182 142.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.136 0 C-N-CA 123.666 0.786 . . . . 0.0 110.334 151.08 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 115.682 -2.104 . . . . 0.0 108.834 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 2' ' ' ALA 0.253 44.5 Cg_exo -44.37 7.71 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.024 2 C-N-CA 128.597 6.198 . . . . 0.0 124.472 -161.479 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.7 t -84.98 -72.32 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 152.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -73.58 69.6 1.26 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.294 1.038 . . . . 0.0 108.547 161.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.7 37.61 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 128.63 2.772 . . . . 0.0 114.247 -173.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -55.05 -58.25 8.41 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 129.515 3.126 . . . . 0.0 111.916 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -53.71 41.72 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.642 1.577 . . . . 0.0 112.009 -178.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 p -63.55 -54.9 28.86 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 127.429 2.292 . . . . 0.0 111.91 -176.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -47.49 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 118.931 0.787 . . . . 0.0 111.145 177.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -59.56 -51.62 69.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.086 0.857 . . . . 0.0 111.475 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -57.65 -54.74 43.45 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.401 177.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -63.2 -38.93 93.1 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.008 0.822 . . . . 0.0 112.457 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.7 -40.41 88.47 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.822 -0.609 . . . . 0.0 111.858 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.01 93.03 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.875 1.216 . . . . 0.0 112.504 171.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 98' ' ' SER . 1.2 tt -56.38 -42.8 78.49 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.996 1.319 . . . . 0.0 109.799 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 t -59.92 -57.89 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.64 1.176 . . . . 0.0 112.451 168.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.5 mt -52.78 -28.51 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.595 1.158 . . . . 0.0 113.262 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -48.67 -37.11 17.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.265 1.426 . . . . 0.0 114.162 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -149.6 -2.86 0.42 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.18 -166.6 29.18 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.359 1.457 . . . . 0.0 112.344 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.39 122.59 26.58 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.329 -1.101 . . . . 0.0 111.802 -177.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -129.94 173.71 10.44 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.532 2.333 . . . . 0.0 112.234 -172.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.4 t -146.1 146.9 31.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.977 1.711 . . . . 0.0 110.337 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -135.71 134.04 38.69 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.148 1.379 . . . . 0.0 113.54 -170.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.5 145.75 11.51 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 123.98 0.8 . . . . 0.0 111.895 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 32.7 t80 -51.76 -51.9 52.79 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.798 1.239 . . . . 0.0 113.295 -165.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -39.67 -58.92 1.23 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.933 2.093 . . . . 0.0 112.04 168.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -66.08 -52.09 52.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 126.581 1.952 . . . . 0.0 110.835 -170.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.262 6.6 t -56.68 -58.17 9.22 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 116.718 -1.611 . . . . 0.0 109.86 173.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.5 t -47.98 -50.25 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 121.734 2.061 . . . . 0.0 112.893 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -56.17 -47.9 77.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.118 0.967 . . . . 0.0 112.646 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 m -65.53 -41.25 93.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.431 1.492 . . . . 0.0 112.73 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.4 mt -71.64 -38.28 70.75 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.296 1.039 . . . . 0.0 111.317 177.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -61.21 -27.47 68.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.679 0.792 . . . . 0.0 112.757 169.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -78.57 5.45 10.88 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 166.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.95 -19.99 1.99 Allowed Glycine 0 CA--C 1.534 1.281 0 N-CA-C 117.258 1.663 . . . . 0.0 117.258 159.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -88.74 -0.74 57.6 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.497 1.665 . . . . 0.0 115.497 -166.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.1 p -59.43 165.51 2.77 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.229 -0.92 . . . . 0.0 113.001 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -138.59 -18.47 1.09 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 164.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.561 HD11 HD11 ' A' ' 43' ' ' ILE . 1.1 tm? -139.38 129.51 25.19 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.936 0.789 . . . . 0.0 109.799 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 65' ' ' THR . 16.9 pt -113.66 141.36 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.25 1.02 . . . . 0.0 111.575 168.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 41' ' ' LEU . 21.6 mm -115.95 138.94 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.784 1.234 . . . . 0.0 108.866 172.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.92 91.47 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.23 46.82 0.91 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.675 1.99 . . . . 0.0 110.265 168.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.62 151.53 39.15 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.218 1.807 . . . . 0.0 109.992 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -66.71 75.33 0.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.273 2.229 . . . . 0.0 112.943 -173.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.7 m -107.73 99.93 32.34 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.842 1.657 . . . . 0.0 111.674 -162.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -72.68 171.25 17.65 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.065 2.51 . . . . 0.0 113.195 -175.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.7 t -50.05 -48.97 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.138 1.775 . . . . 0.0 114.164 -166.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.01 -44.26 85.28 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.032 0.833 . . . . 0.0 111.087 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -63.45 -46.88 84.23 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.615 1.966 . . . . 0.0 110.819 -178.124 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -47.53 83.39 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.046 0.538 . . . . 0.0 109.623 175.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.1 m -60.95 -34.38 74.66 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.603 0.761 . . . . 0.0 112.225 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -64.47 -48.69 74.31 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.066 0.848 . . . . 0.0 111.835 172.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.098 0.863 . . . . 0.0 112.497 175.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -59.94 -43.69 94.84 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.393 1.877 . . . . 0.0 111.532 174.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -59.6 -48.29 82.25 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.848 1.259 . . . . 0.0 111.544 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -64.15 -43.12 96.19 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 118.35 -0.833 . . . . 0.0 112.48 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.28 -41.9 72.87 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.485 1.039 . . . . 0.0 112.846 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.0 ttp -61.99 -38.57 89.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.961 1.304 . . . . 0.0 112.317 172.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.91 -61.11 2.36 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.186 0.903 . . . . 0.0 111.288 170.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.8 p -78.49 46.59 0.65 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.167 1.787 . . . . 0.0 113.584 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' H ' ' HD2' ' A' ' 64' ' ' LYS . 1.2 mptp? -32.52 98.7 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.123 1.369 . . . . 0.0 112.978 -137.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.627 HG21 HG23 ' A' ' 42' ' ' ILE . 1.8 m -133.09 144.24 49.85 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 128.352 2.661 . . . . 0.0 110.12 -161.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -79.04 144.76 34.33 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 122.079 -0.388 . . . . 0.0 110.976 176.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.67 135.6 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.637 1.575 . . . . 0.0 110.225 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -132.11 98.67 4.49 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.054 0.941 . . . . 0.0 111.586 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -78.78 74.88 5.3 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.232 1.413 . . . . 0.0 111.414 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.401 ' CE1' ' HA3' ' A' ' 73' ' ' GLY . 1.4 t80 -81.34 44.49 0.79 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.369 1.868 . . . . 0.0 111.288 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -61.9 -28.8 69.77 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.83 -1.169 . . . . 0.0 112.319 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.49 49.78 3.09 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.076 -1.015 . . . . 0.0 112.506 163.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.401 ' HA3' ' CE1' ' A' ' 70' ' ' PHE . . . -160.02 16.59 0.21 Allowed Glycine 0 CA--C 1.534 1.222 0 C-N-CA 128.382 2.896 . . . . 0.0 112.92 -176.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -25.14 20.29 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 129.433 3.093 . . . . 0.0 115.071 -160.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -128.09 -25.97 2.93 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.343 1.457 . . . . 0.0 111.22 170.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -54.04 -45.35 71.6 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.397 2.679 . . . . 0.0 113.155 -175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.82 -20.7 65.31 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.048 0.84 . . . . 0.0 112.847 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.39 -15.65 32.28 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.118 -0.989 . . . . 0.0 113.935 169.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 m -61.36 -47.35 86.28 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.493 1.117 . . . . 0.0 110.24 167.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.35 -57.63 5.62 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.93 0.892 . . . . 0.0 111.007 168.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.287 17.6 m -96.61 -139.13 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -163.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.07 90.43 1.1 Allowed Glycine 0 CA--C 1.526 0.738 0 C-N-CA 126.402 1.953 . . . . 0.0 113.775 -165.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HD2' ' H ' ' A' ' 83' ' ' LYS . 2.0 mptt -45.61 -29.76 1.31 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.379 2.272 . . . . 0.0 114.737 177.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.4 tp -55.69 -48.4 75.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.189 0.996 . . . . 0.0 112.118 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -111.99 -36.41 5.39 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.835 1.254 . . . . 0.0 114.243 -170.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 60.29 -25.29 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 129.131 2.972 . . . . 0.0 117.148 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.7 m -56.74 100.9 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.118 1.767 . . . . 0.0 110.304 169.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.19 64.54 3.56 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.864 -159.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -85.24 108.42 17.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 161.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.7 t -130.81 156.52 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.702 1.601 . . . . 0.0 108.895 -168.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -144.97 156.1 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 120.301 -1.5 . . . . 0.0 110.86 158.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.6 mm -122.79 131.76 72.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 125.995 1.718 . . . . 0.0 108.989 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.95 -55.28 2.42 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 127.168 2.187 . . . . 0.0 110.517 -173.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -120.35 102.67 8.63 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.346 1.058 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.0 56.42 1.22 Allowed 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.466 -0.772 . . . . 0.0 112.467 173.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.81 24.42 0.66 Allowed Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.121 1.343 . . . . 0.0 115.853 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -145.63 -77.37 0.2 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.345 1.573 . . . . 0.0 110.999 -172.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.401 ' HB2' HD22 ' A' ' 16' ' ' LEU . 17.9 t -108.2 162.81 13.73 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.031 1.332 . . . . 0.0 111.74 165.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -83.68 18.06 2.06 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 -157.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 tt -44.1 -52.17 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -160.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.2 -15.01 62.81 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.4 t -105.95 -9.48 17.08 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 117.413 -1.279 . . . . 0.0 113.96 167.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -41.87 70.01 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.299 1.409 . . . . 0.0 111.041 163.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -97.62 -4.02 38.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -169.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -145.265 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 118.618 -0.706 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -50.04 129.58 25.32 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.124 2.549 . . . . 0.0 112.818 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.6 p -77.34 -18.55 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -27.65 61.28 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.091 1.756 . . . . 0.0 114.799 -168.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 p -90.84 -52.82 4.67 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.323 1.449 . . . . 0.0 111.828 168.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -58.66 -25.39 62.74 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.134 2.173 . . . . 0.0 114.036 -174.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.42 -27.97 27.31 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.028 1.331 . . . . 0.0 113.565 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 p -51.0 -63.03 1.26 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.284 1.834 . . . . 0.0 112.406 171.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.6 -50.89 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.995 167.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.61 -55.23 31.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.905 0.882 . . . . 0.0 112.355 -168.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -66.46 -42.84 86.94 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.387 0.675 . . . . 0.0 111.999 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -64.14 -44.18 92.96 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.641 0.655 . . . . 0.0 111.276 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.92 -36.97 78.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.69 1.196 . . . . 0.0 111.98 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -45.3 87.84 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.522 1.055 . . . . 0.0 112.391 170.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.95 -40.74 73.65 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.374 1.07 . . . . 0.0 110.779 172.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -60.01 -60.31 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.577 0.751 . . . . 0.0 111.836 168.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mt -52.65 -29.04 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.609 1.564 . . . . 0.0 113.775 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -18.31 4.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.067 1.347 . . . . 0.0 114.355 171.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 p -149.77 -15.16 0.27 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 117.276 2.325 . . . . 0.0 117.276 160.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.53 158.6 43.57 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.991 1.281 . . . . 0.0 113.267 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.05 122.01 26.23 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.52 1.128 . . . . 0.0 111.086 -171.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -127.92 172.59 10.75 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.617 1.167 . . . . 0.0 113.756 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -142.81 149.91 39.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.328 1.851 . . . . 0.0 111.021 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.67 126.92 33.71 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.293 1.837 . . . . 0.0 112.493 -170.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.61 151.57 28.42 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.421 1.01 . . . . 0.0 112.591 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 36.6 t80 -55.26 -55.25 33.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.887 0.875 . . . . 0.0 113.253 -163.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.82 -42.91 80.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.694 0.798 . . . . 0.0 111.951 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -61.06 -49.48 77.17 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 126.573 1.949 . . . . 0.0 112.608 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.293 9.0 t -60.61 -63.63 1.23 Allowed 'General case' 0 C--N 1.345 0.371 0 CA-C-O 116.274 -1.822 . . . . 0.0 109.334 169.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.2 t -43.35 -50.57 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 121.602 2.001 . . . . 0.0 113.304 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -56.73 12.45 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.008 1.323 . . . . 0.0 111.378 172.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 m -64.41 -33.58 76.18 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.847 1.259 . . . . 0.0 113.522 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.7 mt -71.1 -41.75 70.19 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.652 0.781 . . . . 0.0 110.669 173.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -62.79 -28.53 70.06 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.262 1.025 . . . . 0.0 113.1 171.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -72.24 -6.05 40.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 165.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.46 -1.57 35.12 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.302 1.43 . . . . 0.0 115.486 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -87.31 -7.6 57.63 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.182 1.393 . . . . 0.0 114.359 -164.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -68.49 163.3 23.72 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.16 0.984 . . . . 0.0 112.926 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -138.93 -12.58 1.25 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.69 1.366 . . . . 0.0 114.69 161.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -140.28 134.87 31.63 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.35 1.46 . . . . 0.0 108.992 171.388 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.526 HG23 HG21 ' A' ' 65' ' ' THR . 17.8 pt -116.35 149.55 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.986 0.915 . . . . 0.0 111.762 167.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.574 HG21 HD22 ' A' ' 77' ' ' LEU . 37.9 mm -124.25 136.42 60.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 125.885 1.674 . . . . 0.0 109.85 178.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.38 96.92 4.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 123.06 0.544 . . . . 0.0 109.713 168.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.95 50.06 1.06 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.981 2.912 . . . . 0.0 110.722 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.06 168.96 18.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.478 1.511 . . . . 0.0 110.832 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -66.62 21.22 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.67 1.988 . . . . 0.0 114.841 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.3 m -60.02 114.22 9.25 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 129.441 3.096 . . . . 0.0 112.907 -172.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -59.97 167.71 6.85 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.985 3.79 . . . . 0.0 115.201 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.07 -43.95 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.878 1.271 . . . . 0.0 113.172 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.96 -39.97 83.27 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.958 -1.089 . . . . 0.0 111.034 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -64.08 -47.96 78.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.66 1.984 . . . . 0.0 111.227 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -42.67 99.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.858 171.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.0 m -58.09 -37.54 74.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.242 0.617 . . . . 0.0 112.174 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -65.25 -46.71 79.43 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.103 0.865 . . . . 0.0 112.062 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.14 -44.86 92.08 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.174 0.897 . . . . 0.0 112.794 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -60.03 -39.9 87.47 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 127.671 2.389 . . . . 0.0 111.549 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -61.26 -49.77 75.75 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.724 1.21 . . . . 0.0 111.861 169.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -63.28 -36.88 85.13 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.115 -0.991 . . . . 0.0 112.778 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.51 -44.09 96.4 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.14 0.882 . . . . 0.0 112.43 170.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -58.43 -43.95 88.92 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.738 1.215 . . . . 0.0 112.191 171.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.41 -61.49 2.5 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.905 0.775 . . . . 0.0 111.406 173.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.8 p -76.3 43.5 0.3 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 128.155 2.582 . . . . 0.0 114.159 -173.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -32.22 99.39 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.758 1.223 . . . . 0.0 112.68 -136.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.526 HG21 HG23 ' A' ' 42' ' ' ILE . 1.7 m -133.85 143.22 48.19 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 128.518 2.727 . . . . 0.0 109.659 -162.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -79.35 118.26 21.09 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.565 0.746 . . . . 0.0 110.753 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.94 131.74 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 123.286 0.634 . . . . 0.0 110.249 170.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -129.22 123.89 33.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.028 0.918 . . . . 0.0 112.315 168.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -87.51 109.12 19.38 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 124.628 1.171 . . . . 0.0 110.886 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -116.0 30.26 7.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.989 2.115 . . . . 0.0 108.703 -177.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -76.0 52.92 0.74 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.831 2.052 . . . . 0.0 112.694 -168.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.42 -5.79 51.29 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 126.182 1.849 . . . . 0.0 115.43 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.35 8.06 65.24 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-N 118.469 1.135 . . . . 0.0 114.757 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -127.29 1.41 6.38 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.267 1.533 . . . . 0.0 112.824 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.8 t30 44.11 47.29 7.45 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.544 1.938 . . . . 0.0 111.664 -167.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -60.58 -28.65 68.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.765 1.226 . . . . 0.0 112.621 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD22 HG21 ' A' ' 43' ' ' ILE . 50.0 tp -54.34 -26.65 30.96 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.158 1.783 . . . . 0.0 112.834 164.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.78 -28.16 6.9 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.313 0.959 . . . . 0.0 113.457 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 m -54.68 -39.59 68.25 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.268 1.827 . . . . 0.0 112.584 171.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.85 -21.43 44.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.033 1.333 . . . . 0.0 114.319 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.1 m -124.49 -11.41 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -167.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.04 20.51 8.71 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.221 1.391 . . . . 0.0 116.091 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 42.1 tptt 52.72 -55.88 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 130.918 3.687 . . . . 0.0 118.711 172.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.23 136.01 55.28 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.001 1.721 . . . . 0.0 111.903 -169.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.1 p90 56.31 -39.87 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 130.025 3.33 . . . . 0.0 116.905 -172.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -70.11 68.53 0.32 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.613 2.365 . . . . 0.0 112.905 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.3 p -52.65 133.58 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 160.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.27 45.38 3.44 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 116.184 1.234 . . . . 0.0 116.184 -142.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 p -87.55 110.02 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 118.551 1.176 . . . . 0.0 108.583 164.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.7 t -135.74 159.24 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.164 1.386 . . . . 0.0 108.387 -166.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.0 m -149.08 155.79 41.25 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 119.699 -1.876 . . . . 0.0 110.894 166.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mm -120.82 136.33 58.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 125.819 1.648 . . . . 0.0 109.002 -178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.69 -105.11 0.34 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.894 2.078 . . . . 0.0 107.882 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.91 94.63 4.6 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.943 -1.098 . . . . 0.0 110.577 170.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.38 65.15 0.42 Allowed 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.564 -0.71 . . . . 0.0 111.59 165.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.65 39.2 0.75 Allowed Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.408 1.48 . . . . 0.0 114.179 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -144.02 -81.02 0.18 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.019 1.328 . . . . 0.0 110.478 -169.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 t -108.28 152.77 24.17 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.643 1.687 . . . . 0.0 111.702 161.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -52.22 3.41 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.902 1 C-N-CA 136.039 5.736 . . . . 0.0 117.866 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.6 tt -48.12 -50.58 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.961 1.255 . . . . 0.0 114.078 -161.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.436 ' H ' ' HG ' ' A' ' 101' ' ' LEU 0.355 0.1 OUTLIER -61.28 -11.69 10.62 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 117.141 2.275 . . . . 0.0 117.141 179.323 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 t -109.04 -11.8 14.91 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 162.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 77.7 p -109.88 -16.46 13.86 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.42 ' CD2' ' H ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -64.82 170.63 4.05 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 124.419 2.057 . . . . 0.0 113.813 -175.183 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.42 ' H ' ' CD2' ' A' ' 104' ' ' LEU . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-N 110.295 -3.138 . . . . 0.0 112.904 160.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 118.627 -0.701 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -68.97 -178.09 1.9 Allowed 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.816 2.344 . . . . 0.0 112.73 161.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.37 -48.28 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.611 0.765 . . . . 0.0 111.462 170.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -92.77 178.98 5.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.41 1.084 . . . . 0.0 110.144 164.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -66.88 159.72 27.69 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -173.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -90.22 -40.49 12.15 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.792 1.237 . . . . 0.0 113.807 -165.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -47.81 80.12 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.192 1.397 . . . . 0.0 112.792 -175.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -63.3 -49.94 72.03 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 126.169 1.787 . . . . 0.0 111.242 -174.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -51.15 76.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.325 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.399 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -53.82 -57.2 11.79 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.613 1.097 . . . . 0.0 111.906 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -56.7 -57.4 12.58 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.976 0.91 . . . . 0.0 110.932 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -66.5 -34.12 77.21 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-O 118.877 -0.583 . . . . 0.0 112.172 -175.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -71.64 -41.49 68.74 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.147 0.885 . . . . 0.0 111.662 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.42 94.47 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.34 0.973 . . . . 0.0 111.975 171.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tt -55.47 -39.53 70.5 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.25 1.02 . . . . 0.0 111.15 172.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -63.84 -57.08 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 119.115 0.87 . . . . 0.0 112.975 167.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 mt -57.21 -17.84 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.706 1.602 . . . . 0.0 113.788 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -47.69 -34.94 8.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.727 1.611 . . . . 0.0 113.354 164.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.6 p -149.35 -14.89 0.29 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 172.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.8 169.49 54.24 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.937 1.256 . . . . 0.0 113.201 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.03 129.95 46.14 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.441 -1.035 . . . . 0.0 112.811 -171.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -133.82 166.88 21.62 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.775 1.63 . . . . 0.0 113.248 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 t -140.67 149.62 42.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.953 2.101 . . . . 0.0 110.107 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -140.21 135.11 32.05 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.849 1.26 . . . . 0.0 114.154 -166.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.59 149.71 26.04 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.551 1.072 . . . . 0.0 111.876 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -54.36 -65.52 0.56 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -161.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -20.06 60.82 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.281 -0.887 . . . . 0.0 111.968 -178.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -59.37 -52.98 63.28 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.854 1.261 . . . . 0.0 111.677 169.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.285 4.9 t -61.48 -53.1 60.91 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 116.222 -1.847 . . . . 0.0 109.647 172.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 59' ' ' TYR . 55.5 t -43.87 -55.17 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 122.025 2.193 . . . . 0.0 113.29 176.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -49.2 -57.7 6.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.265 1.426 . . . . 0.0 111.278 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.2 m -60.11 -31.87 70.45 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.661 1.584 . . . . 0.0 114.039 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.0 mt -82.84 -34.76 26.78 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.171 1.389 . . . . 0.0 112.017 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -67.0 -25.8 66.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.935 0.894 . . . . 0.0 111.777 169.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -72.37 0.14 10.89 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.22 1.408 . . . . 0.0 113.594 162.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.76 -36.12 1.03 Allowed Glycine 0 CA--C 1.532 1.144 0 C-N-CA 127.594 2.521 . . . . 0.0 116.516 166.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -73.59 24.11 0.07 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.343 2.257 . . . . 0.0 116.331 -162.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.4 p -90.84 172.99 8.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.36 2.264 . . . . 0.0 113.399 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -138.07 -19.74 1.13 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 167.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.505 HD11 HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -148.5 141.42 24.77 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.166 1.348 . . . . 0.0 111.185 175.843 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 pt -115.0 140.73 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.188 1.395 . . . . 0.0 111.383 169.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.556 HG21 HD22 ' A' ' 77' ' ' LEU . 15.2 mm -112.54 138.15 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.845 0.858 . . . . 0.0 108.933 169.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mt -123.59 90.38 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.78 0.832 . . . . 0.0 109.159 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.87 85.37 2.16 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.585 1.954 . . . . 0.0 108.97 161.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -158.79 169.48 24.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.133 0.973 . . . . 0.0 111.534 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -61.05 76.95 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.426 1.89 . . . . 0.0 109.979 169.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -112.36 91.56 16.84 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -164.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -74.02 170.35 20.32 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.985 2.457 . . . . 0.0 111.532 168.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.8 t -52.02 -53.02 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.29 1.436 . . . . 0.0 112.926 -170.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.78 -40.46 92.64 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.533 0.606 . . . . 0.0 112.125 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -65.48 -52.17 54.81 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.241 1.416 . . . . 0.0 110.552 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -57.85 -48.58 79.38 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -77.39 -17.75 57.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 117.206 -1.378 . . . . 0.0 113.349 -171.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.06 -51.35 69.53 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.829 1.649 . . . . 0.0 110.023 159.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.53 -43.77 96.81 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 121.696 0.76 . . . . 0.0 112.59 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -57.67 -41.37 81.39 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.74 2.416 . . . . 0.0 111.212 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -59.37 -45.16 92.2 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.275 1.03 . . . . 0.0 111.42 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE2' HG13 ' A' ' 31' ' ' VAL . 32.2 m-85 -72.81 -31.39 64.79 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.36 -0.837 . . . . 0.0 113.256 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.31 -37.68 72.85 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.279 0.945 . . . . 0.0 112.067 167.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -75.52 -40.38 57.07 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.65 1.98 . . . . 0.0 114.146 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.19 -51.72 35.11 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.529 1.059 . . . . 0.0 111.945 176.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.4 p -62.79 -175.74 0.1 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 158.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -121.9 85.16 2.36 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.025 -1.672 . . . . 0.0 108.767 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.4 m -144.35 134.6 24.33 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.993 1.317 . . . . 0.0 110.792 -153.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -78.96 154.31 29.68 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.981 1.312 . . . . 0.0 111.386 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.03 130.47 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.242 1.417 . . . . 0.0 111.198 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -126.2 107.69 10.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.684 1.194 . . . . 0.0 111.752 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -82.8 115.08 21.55 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.259 1.024 . . . . 0.0 112.652 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -130.13 14.17 5.69 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.449 2.3 . . . . 0.0 111.69 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -66.79 -5.15 11.05 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 119.514 -1.991 . . . . 0.0 113.998 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.78 0.46 87.96 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 125.99 1.757 . . . . 0.0 114.601 163.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.27 -39.54 1.36 Allowed Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.584 1.564 . . . . 0.0 111.405 161.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.53 -68.7 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 128.389 2.676 . . . . 0.0 115.422 166.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -20.0 65.99 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.229 1.412 . . . . 0.0 113.074 171.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.49 -173.12 2.4 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.73 1.212 . . . . 0.0 112.883 -174.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 43' ' ' ILE . 16.1 tp 67.75 -27.02 0.13 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.44 2.296 . . . . 0.0 114.709 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.72 -37.84 14.8 Favored Glycine 0 N--CA 1.477 1.375 0 CA-C-N 120.26 1.391 . . . . 0.0 112.09 159.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 m -53.34 -37.9 62.75 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.569 2.747 . . . . 0.0 113.304 169.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.06 -46.2 8.26 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.335 1.454 . . . . 0.0 113.055 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 m -71.77 -13.52 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.09 64.23 2.73 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.572 1.082 . . . . 0.0 111.429 167.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -141.74 162.46 35.42 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.419 1.488 . . . . 0.0 110.72 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.47 -27.26 64.09 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -82.44 116.19 21.79 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.983 0.913 . . . . 0.0 112.029 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -74.13 73.46 1.74 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.427 1.091 . . . . 0.0 111.224 169.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.5 p -157.97 164.34 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 127.61 2.364 . . . . 0.0 108.249 166.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.81 69.82 0.29 Allowed Glycine 0 CA--C 1.527 0.817 0 O-C-N 121.59 -0.694 . . . . 0.0 114.72 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.3 p -92.35 112.59 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 157.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.06 157.78 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.423 1.489 . . . . 0.0 109.057 -162.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 m -144.53 155.25 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 120.386 -1.446 . . . . 0.0 111.037 157.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.5 mm -119.74 139.31 47.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 C-N-CA 126.174 1.79 . . . . 0.0 108.776 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 mp -116.28 -96.15 0.47 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.94 1.696 . . . . 0.0 108.097 -173.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -77.09 92.84 3.8 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.546 1.138 . . . . 0.0 110.086 173.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.0 44.87 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.463 1.505 . . . . 0.0 112.693 163.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.51 41.14 1.36 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.996 1.76 . . . . 0.0 114.004 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -144.49 -81.69 0.17 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.219 1.407 . . . . 0.0 109.725 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.6 t -109.99 159.43 17.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.929 1.292 . . . . 0.0 111.275 160.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.55 9.64 0.24 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.801 2.44 . . . . 0.0 116.652 -166.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 tt -38.8 -63.03 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.131 1.372 . . . . 0.0 113.806 -145.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.473 HD22 ' H ' ' A' ' 101' ' ' LEU 0.262 0.0 OUTLIER -62.89 -5.05 2.51 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -172.968 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 68.9 p -74.46 -77.3 0.12 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.464 1.106 . . . . 0.0 110.171 159.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.6 p -69.3 -31.86 70.62 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.228 2.611 . . . . 0.0 115.045 -172.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.76 87.78 0.98 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.495 1.518 . . . . 0.0 108.517 173.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.641 1.977 . . . . 0.0 113.932 -179.622 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -77.12 179.22 6.73 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 124.307 3.338 . . . . 0.0 111.774 169.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.7 t -58.8 127.08 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.707 1.203 . . . . 0.0 110.273 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.49 ' HE3' ' HB3' ' A' ' 76' ' ' GLU . 52.2 tttt -75.02 49.29 0.43 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.411 1.484 . . . . 0.0 114.307 -174.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -56.08 -36.34 68.0 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.384 -1.448 . . . . 0.0 111.718 171.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.457 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 4.3 pm0 -57.7 -5.73 0.42 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 129.047 2.939 . . . . 0.0 116.142 168.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HA ' ' HE2' ' A' ' 5' ' ' LYS . 9.8 tp10 -51.52 -40.62 59.97 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.203 1.365 . . . . 0.0 111.335 163.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 p -39.25 -63.4 0.55 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.906 2.082 . . . . 0.0 113.591 168.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -48.14 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.773 0.829 . . . . 0.0 111.633 174.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -52.22 -56.53 14.1 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.007 1.323 . . . . 0.0 112.488 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.13 -40.3 94.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.479 0.712 . . . . 0.0 111.232 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 57.0 tttp -63.15 -43.35 98.58 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.117 1.367 . . . . 0.0 111.377 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.71 -37.27 82.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.141 0.976 . . . . 0.0 111.886 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -63.72 -46.3 86.01 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.254 0.934 . . . . 0.0 111.609 172.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.33 -39.6 73.06 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.492 1.117 . . . . 0.0 111.537 173.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.93 -62.45 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.489 166.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.7 mt -49.99 -32.51 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.892 1.677 . . . . 0.0 113.518 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.32 -18.06 9.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.111 1.765 . . . . 0.0 114.354 174.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 p -148.42 -21.35 0.33 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 163.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.4 158.66 32.85 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.551 1.548 . . . . 0.0 113.513 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -87.04 127.45 35.11 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.261 1.024 . . . . 0.0 112.257 -168.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -130.39 174.48 9.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.895 1.678 . . . . 0.0 113.252 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.7 t -146.78 153.88 40.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.129 1.771 . . . . 0.0 111.18 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -140.43 130.56 24.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.879 1.672 . . . . 0.0 112.835 -169.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.71 150.34 25.37 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.155 0.883 . . . . 0.0 112.64 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CE1' HD21 ' A' ' 56' ' ' LEU . 32.1 t80 -54.07 -55.84 23.69 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.223 1.009 . . . . 0.0 113.568 -164.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -55.58 -44.77 77.23 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.909 0.884 . . . . 0.0 111.735 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -60.34 -49.94 75.61 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 126.851 2.06 . . . . 0.0 112.476 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.28 8.8 t -61.19 -63.15 1.39 Allowed 'General case' 0 C--N 1.345 0.401 0 CA-C-O 116.285 -1.817 . . . . 0.0 109.595 170.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -44.0 -51.33 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 121.818 2.099 . . . . 0.0 112.967 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -48.83 -60.7 2.53 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.822 1.249 . . . . 0.0 111.255 170.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 m -62.01 -35.95 80.09 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.34 1.456 . . . . 0.0 113.671 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.22 -44.64 68.18 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.572 0.749 . . . . 0.0 110.789 174.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -65.5 -25.24 67.39 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.449 0.699 . . . . 0.0 112.572 174.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -76.3 0.59 18.81 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.342 1.457 . . . . 0.0 114.093 165.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.12 -22.43 0.96 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.369 1.938 . . . . 0.0 116.913 167.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -72.38 -4.99 33.29 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.466 1.507 . . . . 0.0 114.816 -172.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -63.48 160.62 16.02 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.32 -0.862 . . . . 0.0 112.725 170.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -138.83 -13.55 1.24 Allowed 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 163.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD11 HD11 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -144.3 141.82 30.02 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.796 1.18 . . . . 0.0 111.126 171.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 pt -119.31 144.14 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.367 1.467 . . . . 0.0 111.608 168.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.428 HD11 HD11 ' A' ' 41' ' ' LEU . 18.2 mm -116.52 136.17 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.737 1.215 . . . . 0.0 108.318 168.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mt -118.76 111.69 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 164.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -122.98 59.32 1.07 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.782 1.633 . . . . 0.0 111.654 174.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.32 169.32 21.09 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.868 1.267 . . . . 0.0 111.106 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -68.67 33.32 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.244 2.218 . . . . 0.0 114.127 175.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.0 m -68.45 111.96 9.65 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 127.924 2.49 . . . . 0.0 111.581 -170.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.32 165.4 32.56 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.599 2.2 . . . . 0.0 112.364 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.6 t -49.33 -56.27 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.731 1.612 . . . . 0.0 113.119 -167.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.81 -35.31 76.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.731 0.696 . . . . 0.0 112.525 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -71.87 -50.94 24.97 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.417 1.487 . . . . 0.0 110.639 179.311 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -58.84 -46.67 87.16 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -77.21 -16.97 58.84 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 118.016 -0.992 . . . . 0.0 113.376 -172.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.69 -46.58 78.5 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.181 1.355 . . . . 0.0 110.987 160.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.421 HD21 ' CE1' ' A' ' 27' ' ' TYR . 4.0 mt -59.32 -44.58 92.57 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.233 0.924 . . . . 0.0 112.55 174.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -58.47 -41.02 84.26 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.631 2.373 . . . . 0.0 110.889 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -62.81 -47.9 81.42 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.27 1.428 . . . . 0.0 111.801 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -63.08 -38.09 89.82 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.052 0.842 . . . . 0.0 112.514 174.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.54 76.58 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.086 0.857 . . . . 0.0 111.663 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.2 ttp -56.94 -40.0 75.57 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.172 1.389 . . . . 0.0 112.826 174.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.2 -65.67 0.64 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.304 0.956 . . . . 0.0 111.658 172.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.4 p -71.94 47.45 0.15 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.102 2.961 . . . . 0.0 114.261 -169.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -31.52 94.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.578 1.551 . . . . 0.0 112.234 -133.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -132.7 143.89 49.93 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 128.375 2.67 . . . . 0.0 109.599 -162.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -78.76 146.39 33.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.637 1.175 . . . . 0.0 110.773 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.6 t -109.43 143.37 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.813 1.245 . . . . 0.0 109.772 173.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -137.63 151.69 48.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.593 1.157 . . . . 0.0 111.407 166.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -123.22 103.67 8.68 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.637 1.575 . . . . 0.0 109.081 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.638 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 2.0 t80 -98.35 139.38 34.2 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.13 1.372 . . . . 0.0 108.693 -175.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.256 25.9 pt20 -74.17 82.59 1.81 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.586 1.184 . . . . 0.0 113.422 -178.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.01 -19.01 9.85 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 127.333 2.397 . . . . 0.0 116.09 -177.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.24 -8.75 12.99 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 118.855 1.327 . . . . 0.0 114.158 167.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.61 -23.13 37.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.898 1.279 . . . . 0.0 113.623 166.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 55.86 -23.5 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 128.634 2.773 . . . . 0.0 115.248 -164.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.49 ' HB3' ' HE3' ' A' ' 5' ' ' LYS . 26.5 mm-40 -55.35 -12.92 1.17 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 127.796 2.438 . . . . 0.0 117.461 -167.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.39 -21.97 60.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 121.316 1.871 . . . . 0.0 111.924 166.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.64 -32.81 25.25 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.61 1.1 . . . . 0.0 113.639 163.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 m -65.43 -22.91 66.82 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.886 1.343 . . . . 0.0 112.13 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -89.07 -41.6 12.22 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 m -101.28 -12.91 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -166.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.29 104.03 1.46 Allowed Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.632 1.111 . . . . 0.0 110.579 -172.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -62.8 -4.1 1.92 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -165.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 tt -61.58 -34.82 76.26 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.082 2.153 . . . . 0.0 112.613 162.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -68.56 153.17 44.28 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -171.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -126.47 177.21 6.62 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.957 2.903 . . . . 0.0 107.449 165.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 m 37.65 69.67 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 126.216 1.806 . . . . 0.0 113.192 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.46 74.23 1.3 Allowed Glycine 0 CA--C 1.527 0.836 0 C-N-CA 125.416 1.484 . . . . 0.0 113.908 -164.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -89.27 116.63 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.587 0.708 . . . . 0.0 109.881 164.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.0 t -132.75 155.71 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 125.962 1.705 . . . . 0.0 108.964 -167.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.9 m -147.0 155.41 42.22 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 120.27 -1.518 . . . . 0.0 111.461 161.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.1 mm -119.63 135.61 59.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 126.615 1.966 . . . . 0.0 108.906 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mp -111.13 -103.89 0.39 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.324 1.85 . . . . 0.0 108.163 -176.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -77.94 81.41 4.34 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.704 1.202 . . . . 0.0 109.697 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.7 11.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.699 2.799 . . . . 0.0 117.193 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.18 55.54 0.04 OUTLIER Glycine 0 CA--C 1.537 1.414 0 C-N-CA 128.251 2.834 . . . . 0.0 118.723 -151.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -139.97 -64.08 0.49 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.374 1.87 . . . . 0.0 109.106 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -110.17 156.09 21.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 123.206 1.479 . . . . 0.0 112.398 162.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -52.45 4.23 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 1 C-N-CA 134.18 4.992 . . . . 0.0 117.043 170.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.465 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 13.0 tt -45.9 -47.35 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 120.327 1.421 . . . . 0.0 113.677 -157.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.458 HD22 ' H ' ' A' ' 101' ' ' LEU 0.351 0.0 OUTLIER -86.08 9.33 17.57 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -173.131 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.3 t -106.38 -5.71 18.81 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 151.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.2 m -107.39 -39.71 5.58 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.291 1.436 . . . . 0.0 113.281 -175.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.33 81.23 7.55 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.87 2.068 . . . . 0.0 112.134 -164.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 C-N-CA 125.738 1.615 . . . . 0.0 111.848 162.222 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.72 ' N ' HE21 ' A' ' 71' ' ' GLN . . . . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 118.132 -0.937 . . . . 0.0 109.189 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -76.23 66.26 7.07 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.404 2.736 . . . . 0.0 113.964 -168.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.69 -25.96 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.29 1.436 . . . . 0.0 113.954 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -91.27 106.54 18.58 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.544 1.538 . . . . 0.0 107.712 169.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 m -40.38 128.18 2.37 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.381 2.272 . . . . 0.0 115.565 -157.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.516 ' NE2' ' H ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -45.8 -65.74 0.5 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 129.389 3.076 . . . . 0.0 113.408 -167.791 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -37.39 67.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.642 2.777 . . . . 0.0 112.928 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -70.08 -51.76 29.22 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.759 1.624 . . . . 0.0 110.995 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -44.59 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.697 171.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -54.05 -57.0 12.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.624 1.169 . . . . 0.0 111.934 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -56.42 -53.19 60.29 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.767 1.227 . . . . 0.0 111.357 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.13 -35.46 78.8 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 118.378 0.535 . . . . 0.0 111.984 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.49 -38.94 77.87 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.348 0.977 . . . . 0.0 112.686 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.79 89.34 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.893 1.224 . . . . 0.0 111.914 170.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.54 -34.48 64.74 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.893 1.277 . . . . 0.0 111.367 171.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.644 HG22 ' H ' ' A' ' 98' ' ' SER . 23.1 t -70.83 -51.51 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.015 1.726 . . . . 0.0 112.488 170.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.3 mt -57.18 -21.95 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.9 1.28 . . . . 0.0 113.545 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -48.41 -33.49 9.29 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.361 1.864 . . . . 0.0 114.204 162.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 p -158.03 23.9 0.26 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.375 1.47 . . . . 0.0 113.163 -154.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.86 150.69 22.88 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.759 0.695 . . . . 0.0 113.389 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -79.59 114.05 18.22 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.525 1.13 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -118.63 168.75 10.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.752 1.221 . . . . 0.0 113.968 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -144.07 160.73 40.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.401 2.28 . . . . 0.0 110.18 173.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.7 mt -144.4 145.34 31.87 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.284 1.433 . . . . 0.0 112.398 -164.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.04 160.42 21.29 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.249 1.404 . . . . 0.0 113.635 171.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.53 -80.6 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -162.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -23.33 65.92 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.095 -1.628 . . . . 0.0 112.425 -175.324 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.5 t -54.59 -58.63 6.73 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 128.507 2.723 . . . . 0.0 113.354 166.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -69.26 -35.52 76.19 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 116.344 -1.788 . . . . 0.0 110.789 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.6 HG13 ' CE2' ' A' ' 59' ' ' TYR . 26.8 t -52.73 -55.01 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 122.08 2.218 . . . . 0.0 110.908 173.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.53 -52.5 22.28 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.496 1.519 . . . . 0.0 110.675 170.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.3 m -65.25 -26.94 68.32 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.78 -30.88 18.68 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.038 1.735 . . . . 0.0 111.12 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -66.58 -21.2 66.14 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.464 1.105 . . . . 0.0 112.384 168.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -69.13 -2.22 9.72 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 161.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.04 -39.24 1.81 Allowed Glycine 0 CA--C 1.531 1.081 0 C-N-CA 126.516 2.007 . . . . 0.0 116.162 163.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -72.0 17.89 0.09 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -167.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -83.6 167.09 17.63 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.649 1.18 . . . . 0.0 113.721 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 -22.8 0.91 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -146.13 128.41 15.8 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 120.224 1.374 . . . . 0.0 111.474 176.389 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.502 HG23 HG21 ' A' ' 65' ' ' THR . 15.5 pt -111.58 141.33 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.24 1.416 . . . . 0.0 111.923 167.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.48 HD11 HD11 ' A' ' 41' ' ' LEU . 40.2 mm -118.17 124.57 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 127.748 2.419 . . . . 0.0 108.435 175.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mt -116.46 106.14 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.62 64.97 0.8 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.316 1.846 . . . . 0.0 110.649 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -151.2 161.03 43.47 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.29 1.036 . . . . 0.0 111.702 -176.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -60.7 68.01 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 129.535 3.134 . . . . 0.0 114.081 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.9 m -98.88 110.64 58.23 Favored Pre-proline 0 N--CA 1.469 0.51 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -152.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -77.21 168.5 23.01 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.006 2.471 . . . . 0.0 111.951 170.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.92 -42.49 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.081 1.352 . . . . 0.0 112.226 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.8 -47.51 83.14 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.534 0.734 . . . . 0.0 111.988 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -59.55 -51.11 71.27 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.793 0.837 . . . . 0.0 110.18 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -59.55 -46.59 88.46 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.2 m -53.22 -47.98 68.51 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.651 1.18 . . . . 0.0 111.428 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.57 -50.89 72.13 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.525 1.057 . . . . 0.0 111.556 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.1 -41.39 97.3 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.811 0.815 . . . . 0.0 112.615 -176.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.8 -38.57 91.6 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.063 2.545 . . . . 0.0 111.703 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.94 -45.68 91.84 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.265 1.026 . . . . 0.0 111.535 171.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.6 ' CE2' HG13 ' A' ' 31' ' ' VAL . 31.5 m-85 -69.35 -36.74 77.19 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.35 -0.844 . . . . 0.0 112.825 175.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -36.65 68.8 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 169.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.5 ttp -77.53 -36.78 52.02 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.137 2.175 . . . . 0.0 114.15 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.38 -52.88 28.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.561 1.145 . . . . 0.0 111.431 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.6 p -62.42 -174.24 0.06 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.994 0.918 . . . . 0.0 110.456 158.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -121.83 73.84 1.1 Allowed 'General case' 0 N--CA 1.477 0.875 0 O-C-N 119.561 -1.962 . . . . 0.0 109.838 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.502 HG21 HG23 ' A' ' 42' ' ' ILE . 98.2 m -127.91 133.45 49.28 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.141 -155.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -78.05 140.66 39.13 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.419 1.088 . . . . 0.0 109.988 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.1 t -110.14 132.72 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.532 1.133 . . . . 0.0 110.558 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -131.32 106.22 8.14 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.845 0.831 . . . . 0.0 113.21 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -79.48 75.4 6.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.38 1.472 . . . . 0.0 112.086 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.8 42.93 0.56 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.096 2.158 . . . . 0.0 110.77 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.72 HE21 ' N ' ' A' ' 2' ' ' ALA . 8.5 pt20 -61.5 -14.81 32.19 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 -164.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.36 -10.68 63.6 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.728 1.156 . . . . 0.0 114.875 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.85 33.9 1.44 Allowed Glycine 0 CA--C 1.533 1.179 0 CA-C-N 119.833 1.817 . . . . 0.0 114.219 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -18.07 5.83 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 130.159 3.384 . . . . 0.0 116.559 -165.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.64 -28.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.946 1.698 . . . . 0.0 110.862 172.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 13.0 mp0 -66.09 -43.87 86.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 129.165 2.986 . . . . 0.0 109.474 -170.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 tp -65.05 -31.0 72.0 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.974 -0.454 . . . . 0.0 111.891 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.45 -20.99 56.63 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.046 -0.863 . . . . 0.0 113.807 168.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.5 m -87.91 -29.77 20.6 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.228 1.514 . . . . 0.0 111.963 169.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.38 98.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.684 1.129 . . . . 0.0 111.451 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.8 m -92.3 -19.04 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.587 0.755 . . . . 0.0 112.724 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.32 56.11 11.04 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.653 1.596 . . . . 0.0 112.506 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -141.06 164.34 30.54 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.689 1.196 . . . . 0.0 112.918 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.8 tp -76.35 -24.47 54.23 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -168.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -67.38 -24.92 65.74 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -172.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 63.66 -59.94 0.17 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.81 2.844 . . . . 0.0 114.823 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.5 p -103.12 125.69 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 127.001 2.121 . . . . 0.0 110.821 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.03 -171.51 41.15 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 116.675 1.43 . . . . 0.0 116.675 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.01 145.87 11.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 126.612 1.965 . . . . 0.0 110.862 172.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.0 t -131.98 142.45 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 127.556 2.342 . . . . 0.0 106.878 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 m -134.6 148.24 50.39 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.798 0.726 . . . . 0.0 110.702 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.2 mm -121.46 136.72 57.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 125.512 1.525 . . . . 0.0 108.719 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.61 -61.84 1.62 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.031 1.332 . . . . 0.0 110.583 -171.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -130.74 94.03 3.54 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.291 1.036 . . . . 0.0 109.878 -174.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.48 98.0 10.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.795 0.838 . . . . 0.0 110.624 174.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.13 -38.75 97.04 Favored Glycine 0 CA--C 1.534 1.255 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 170.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -141.82 152.14 43.42 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 148.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.644 ' H ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -109.31 177.96 4.59 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 118.94 -2.35 . . . . 0.0 112.969 -8.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -71.72 18.31 0.08 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -162.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.404 ' CG2' HG21 ' A' ' 17' ' ' VAL . 8.5 tt -54.39 -31.52 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.164 -1.585 . . . . 0.0 113.48 -172.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 101' ' ' LEU 0.324 0.2 OUTLIER -70.94 -9.36 57.72 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 176.153 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.4 -64.89 1.0 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.252 1.021 . . . . 0.0 109.52 147.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.58 89.36 2.97 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.992 1.317 . . . . 0.0 112.699 -158.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 tt -102.85 -33.73 9.24 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.64 1.576 . . . . 0.0 114.155 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 C-N-CA 131.486 3.915 . . . . 0.0 114.208 -4.227 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 117.55 -1.215 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -53.19 165.15 1.49 Allowed 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 123.675 2.916 . . . . 0.0 114.887 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.465 HG22 ' H ' ' A' ' 5' ' ' LYS . 2.5 p -82.85 -170.8 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 159.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' H ' HG22 ' A' ' 4' ' ' VAL . 1.9 ptmm? -59.71 16.37 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 172.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 p -66.63 7.5 0.34 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.904 2.882 . . . . 0.0 115.79 -167.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -68.29 -27.3 66.19 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -164.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -42.06 18.21 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.989 1.268 . . . . 0.0 110.775 170.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.9 m -59.62 -48.4 81.81 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 128.467 2.707 . . . . 0.0 110.589 -174.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -53.56 25.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 C-N-CA 125.489 1.516 . . . . 0.0 111.166 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.82 -51.17 70.69 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.153 0.888 . . . . 0.0 111.165 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -67.22 -48.27 68.35 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.378 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -61.26 -38.74 87.79 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.146 0.884 . . . . 0.0 111.52 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.79 -44.69 73.09 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.77 0.828 . . . . 0.0 111.296 178.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.8 99.14 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.428 1.013 . . . . 0.0 112.059 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -57.33 -43.08 83.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.634 1.174 . . . . 0.0 110.889 173.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -61.04 -53.71 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.343 1.057 . . . . 0.0 112.629 170.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mt -54.72 -18.92 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 126.331 1.852 . . . . 0.0 113.643 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -48.52 -36.43 15.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.373 1.469 . . . . 0.0 113.624 166.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.8 p -151.87 -12.1 0.19 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.37 152.64 36.21 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 119.67 1.123 . . . . 0.0 112.428 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -85.55 116.49 23.88 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.576 1.15 . . . . 0.0 111.861 -171.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -123.39 175.17 6.89 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.237 1.815 . . . . 0.0 113.716 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -146.17 148.83 32.95 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.823 2.049 . . . . 0.0 110.576 173.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.7 mt -136.86 129.7 30.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.509 1.523 . . . . 0.0 113.543 -168.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.76 150.18 26.39 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 123.991 0.805 . . . . 0.0 112.195 177.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.94 -57.9 10.13 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -165.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -55.01 -43.02 73.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.056 0.942 . . . . 0.0 111.686 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -57.7 -57.57 12.15 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.543 1.537 . . . . 0.0 111.465 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.251 8.4 t -59.96 -51.24 70.52 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-O 117.315 -1.326 . . . . 0.0 110.464 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG13 ' CE2' ' A' ' 59' ' ' TYR . 70.0 t -49.81 -51.51 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 121.394 1.906 . . . . 0.0 112.552 177.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -56.08 -50.55 70.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.551 0.74 . . . . 0.0 111.699 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -60.24 -48.34 82.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.544 1.538 . . . . 0.0 112.39 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 mt -67.67 -34.76 77.57 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.662 1.185 . . . . 0.0 111.843 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -74.7 -35.57 62.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.385 -0.817 . . . . 0.0 112.924 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -106.17 -13.21 15.49 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -173.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.45 174.07 22.75 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 120.293 1.406 . . . . 0.0 115.044 -169.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 73.04 2.06 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.491 1.516 . . . . 0.0 111.603 -174.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.0 p -56.09 152.68 10.17 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.897 1.279 . . . . 0.0 112.614 167.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.81 -32.71 0.48 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 166.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 43' ' ' ILE . 1.3 tm? -142.12 131.14 23.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.783 1.233 . . . . 0.0 109.657 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.2 pt -112.93 147.0 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.798 0.839 . . . . 0.0 111.82 171.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.678 HG21 HD22 ' A' ' 77' ' ' LEU . 21.1 mm -122.72 125.15 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 124.796 1.239 . . . . 0.0 109.566 172.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -102.45 88.0 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 164.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -106.2 57.53 0.66 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 122.929 1.347 . . . . 0.0 109.546 163.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.94 140.13 29.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.705 1.602 . . . . 0.0 107.481 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.74 77.27 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.007 1.723 . . . . 0.0 112.391 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.3 m -106.45 121.45 45.23 Favored Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 127.361 2.265 . . . . 0.0 110.669 -162.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.82 167.89 25.34 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.057 2.505 . . . . 0.0 112.594 176.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.1 t -52.81 -51.33 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.679 1.592 . . . . 0.0 113.014 -170.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.4 mt -57.6 -50.35 73.43 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.876 0.762 . . . . 0.0 111.371 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -48.32 82.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.736 2.014 . . . . 0.0 111.612 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -61.77 -44.38 97.01 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 118.704 -0.665 . . . . 0.0 109.331 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -58.38 -34.49 70.77 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-O 118.528 -0.749 . . . . 0.0 112.323 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -66.95 -48.16 69.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.125 0.875 . . . . 0.0 111.477 173.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mt -58.99 -45.59 90.27 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 122.056 0.931 . . . . 0.0 112.447 175.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.58 -37.79 79.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.295 2.238 . . . . 0.0 111.563 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -61.98 -47.26 85.63 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.128 1.371 . . . . 0.0 111.632 170.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CE2' HG13 ' A' ' 31' ' ' VAL . 31.4 m-85 -66.43 -34.61 78.33 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.411 1.005 . . . . 0.0 113.107 176.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.03 83.0 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.918 0.781 . . . . 0.0 112.134 168.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.31 -42.04 94.74 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.477 1.511 . . . . 0.0 112.497 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.77 -68.25 0.36 Allowed 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.66 1.184 . . . . 0.0 110.735 172.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.9 p -79.89 62.46 4.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.243 1.817 . . . . 0.0 111.37 -172.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -33.89 98.03 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.303 2.241 . . . . 0.0 113.466 -145.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -141.63 149.33 40.52 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.487 1.915 . . . . 0.0 112.24 -162.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -86.39 149.41 25.03 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.959 0.904 . . . . 0.0 111.232 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 t -114.09 152.22 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.139 1.376 . . . . 0.0 111.384 -174.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -140.46 149.96 43.2 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.716 1.207 . . . . 0.0 111.85 171.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -129.97 120.22 24.45 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 125.393 1.477 . . . . 0.0 110.857 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.532 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 1.3 t80 -149.11 37.91 0.79 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.026 1.331 . . . . 0.0 110.107 -167.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -104.66 54.02 0.72 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.84 1.656 . . . . 0.0 111.221 -172.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.06 38.44 0.53 Allowed Glycine 0 CA--C 1.532 1.139 0 C-N-CA 128.001 2.715 . . . . 0.0 114.168 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.54 -12.69 20.11 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.549 1.547 . . . . 0.0 114.61 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -121.02 3.92 10.45 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.309 1.555 . . . . 0.0 113.57 -159.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 48.0 45.35 19.17 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.659 2.384 . . . . 0.0 112.5 -174.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -47.59 -46.0 27.82 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.761 2.025 . . . . 0.0 116.367 -156.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.678 HD22 HG21 ' A' ' 43' ' ' ILE . 29.3 tp -62.61 -14.08 38.83 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.295 1.038 . . . . 0.0 113.378 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.68 -31.64 7.51 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.855 0.752 . . . . 0.0 112.085 162.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 m -54.39 -44.81 72.61 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.707 1.603 . . . . 0.0 112.08 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -58.47 4.36 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.04 0.936 . . . . 0.0 111.146 168.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.3 m -99.69 -11.7 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 -154.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.03 -17.54 0.07 OUTLIER Glycine 0 N--CA 1.474 1.201 0 N-CA-C 117.791 1.876 . . . . 0.0 117.791 -175.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 47.95 -78.1 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 129.729 3.212 . . . . 0.0 113.345 -176.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.21 -51.0 65.83 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.294 2.238 . . . . 0.0 110.9 172.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -80.07 86.65 5.51 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 123.603 1.668 . . . . 0.0 110.235 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -72.87 64.1 0.67 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.978 2.111 . . . . 0.0 111.861 -174.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.0 t -139.71 110.17 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 126.74 2.016 . . . . 0.0 108.529 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.04 33.83 5.91 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.564 1.078 . . . . 0.0 113.801 -176.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.9 p -78.58 109.05 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.63 1.215 . . . . 0.0 108.827 164.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.29 157.9 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.395 1.478 . . . . 0.0 109.031 -170.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.6 m -145.53 154.05 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 120.168 -1.582 . . . . 0.0 110.323 158.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.7 mm -122.72 137.04 57.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 125.855 1.662 . . . . 0.0 108.625 -177.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.37 -63.79 1.34 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.039 1.735 . . . . 0.0 109.645 -171.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -121.93 93.28 3.95 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.081 1.352 . . . . 0.0 109.335 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.75 62.84 0.59 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.881 -0.512 . . . . 0.0 111.504 169.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.8 37.85 0.62 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.704 1.621 . . . . 0.0 113.51 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -141.46 -88.58 0.16 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.0 1.72 . . . . 0.0 109.505 -170.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -110.23 166.24 11.12 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 123.272 1.511 . . . . 0.0 113.146 165.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -53.39 4.2 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.961 1 C-N-CA 134.703 5.201 . . . . 0.0 119.868 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.9 tt -51.47 -50.93 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 121.801 2.091 . . . . 0.0 113.974 -161.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.36 0.1 OUTLIER -65.38 -6.16 9.44 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 176.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.2 t -108.07 -11.44 15.29 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 162.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.9 m -106.92 -38.1 6.16 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.785 1.175 . . . . 0.0 113.735 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.79 84.81 5.54 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.046 0.939 . . . . 0.0 113.226 -154.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.659 0 C-N-CA 126.859 2.064 . . . . 0.0 112.946 166.069 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.71 149.07 72.96 Favored 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 122.681 2.254 . . . . 0.0 111.994 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -57.59 -42.47 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.254 1.021 . . . . 0.0 111.303 -177.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -73.94 30.92 0.08 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.375 1.87 . . . . 0.0 113.993 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.4 m -79.95 -7.1 58.6 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -44.22 -74.61 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 127.236 2.215 . . . . 0.0 115.586 -161.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -37.06 73.86 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.481 1.112 . . . . 0.0 112.415 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m -65.88 -50.71 63.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.437 1.895 . . . . 0.0 111.216 -177.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -45.64 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 117.647 -1.168 . . . . 0.0 110.336 173.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -52.23 -59.19 4.68 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.918 1.235 . . . . 0.0 112.06 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.34 -55.73 28.19 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.807 1.243 . . . . 0.0 111.013 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -68.08 -32.95 73.64 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -71.42 -38.38 71.4 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.628 174.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.71 98.16 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.374 0.988 . . . . 0.0 112.056 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.6 -46.88 67.18 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.408 1.083 . . . . 0.0 110.577 171.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.8 t -58.58 -56.62 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.984 0.914 . . . . 0.0 111.843 171.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.86 -14.29 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.54 1.936 . . . . 0.0 114.312 -178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -48.02 -42.84 29.17 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.02 1.328 . . . . 0.0 112.786 163.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.5 p -147.77 -12.66 0.38 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.102 1.889 . . . . 0.0 116.102 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.5 130.08 9.6 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.088 1.327 . . . . 0.0 110.925 173.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 139.02 38.7 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 122.371 -0.488 . . . . 0.0 110.624 -171.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -135.63 172.94 12.29 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.681 1.192 . . . . 0.0 113.748 -173.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -143.76 157.56 44.3 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.533 1.933 . . . . 0.0 111.147 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.9 mt -141.47 128.7 20.99 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.734 1.613 . . . . 0.0 112.951 -168.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.4 154.12 26.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.404 1.002 . . . . 0.0 113.311 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.443 ' CE1' HD21 ' A' ' 56' ' ' LEU . 26.7 t80 -52.96 -58.5 6.74 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.718 1.207 . . . . 0.0 113.926 -161.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -58.0 -42.86 86.06 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.242 0.617 . . . . 0.0 111.994 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -59.95 -50.48 73.58 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 126.565 1.946 . . . . 0.0 112.537 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.266 9.7 t -61.23 -62.66 1.68 Allowed 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 116.315 -1.802 . . . . 0.0 109.162 170.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.2 t -44.72 -50.36 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 121.599 1.999 . . . . 0.0 113.119 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.43 -58.29 6.06 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.863 1.265 . . . . 0.0 111.272 171.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -63.95 -35.67 81.44 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.625 1.57 . . . . 0.0 114.072 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.36 -42.92 78.49 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.719 0.808 . . . . 0.0 110.366 174.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -66.61 -22.87 66.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.996 0.918 . . . . 0.0 112.968 174.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -76.32 -2.98 34.27 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.584 1.153 . . . . 0.0 114.04 164.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.5 -19.39 0.88 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.792 1.663 . . . . 0.0 116.648 171.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -12.41 47.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.482 1.913 . . . . 0.0 114.065 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -59.52 153.28 19.92 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.909 1.284 . . . . 0.0 113.181 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? -138.72 -21.97 0.98 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 173.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -145.8 137.68 25.23 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.566 1.147 . . . . 0.0 109.907 170.81 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 pt -114.3 139.06 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.111 1.365 . . . . 0.0 110.943 168.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.446 HD11 HD11 ' A' ' 41' ' ' LEU . 29.3 mm -114.84 130.82 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.761 1.225 . . . . 0.0 108.508 170.046 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mt -119.47 107.46 21.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.36 80.99 1.4 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.42 1.088 . . . . 0.0 111.582 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.39 175.92 9.75 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.231 1.012 . . . . 0.0 110.915 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -72.04 41.87 0.08 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.052 1.341 . . . . 0.0 111.494 162.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -54.46 110.36 2.09 Favored Pre-proline 0 N--CA 1.469 0.503 0 C-N-CA 126.645 1.978 . . . . 0.0 112.973 -151.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.36 145.81 76.44 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.252 2.635 . . . . 0.0 112.373 171.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.62 -44.54 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.308 1.043 . . . . 0.0 112.101 -175.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.64 -39.83 94.38 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.816 0.735 . . . . 0.0 111.726 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -47.07 68.4 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.358 1.063 . . . . 0.0 110.546 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -61.08 -44.66 97.02 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 118.821 -0.609 . . . . 0.0 109.469 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -56.18 -43.74 78.69 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.512 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.92 -46.31 85.34 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.658 1.117 . . . . 0.0 112.24 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.443 HD21 ' CE1' ' A' ' 27' ' ' TYR . 6.9 mt -57.64 -45.98 84.76 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 122.173 0.987 . . . . 0.0 113.253 175.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.5 -38.45 91.18 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.555 2.342 . . . . 0.0 111.794 175.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -60.14 -45.35 93.34 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.122 1.369 . . . . 0.0 111.179 170.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -68.04 -39.24 83.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.196 0.907 . . . . 0.0 113.253 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.17 -36.98 63.97 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.233 0.924 . . . . 0.0 112.882 169.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.3 ttp -79.52 -37.3 36.91 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.162 2.185 . . . . 0.0 114.422 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 mt -67.56 -54.49 19.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.087 1.355 . . . . 0.0 111.003 174.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.8 p -61.73 -176.18 0.08 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.123 0.569 . . . . 0.0 110.122 158.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.36 87.85 2.83 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.169 -1.582 . . . . 0.0 108.454 172.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.3 m -142.69 137.05 29.61 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.301 1.44 . . . . 0.0 110.321 -156.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.98 150.02 34.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.514 1.126 . . . . 0.0 110.502 175.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -115.94 140.06 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.752 1.221 . . . . 0.0 110.575 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -132.6 139.85 47.98 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.944 0.897 . . . . 0.0 112.983 164.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -104.64 87.66 2.74 Favored 'General case' 0 C--N 1.337 0.065 0 C-N-CA 125.52 1.528 . . . . 0.0 110.75 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -78.99 40.58 0.41 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.338 1.855 . . . . 0.0 108.073 169.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -55.34 138.9 44.58 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 119.875 -1.765 . . . . 0.0 110.709 -164.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -51.45 -19.66 4.6 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 119.117 2.407 . . . . 0.0 119.117 -143.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.82 -10.04 57.57 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.081 1.324 . . . . 0.0 114.367 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -63.28 -172.67 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.939 1.296 . . . . 0.0 111.514 158.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -82.57 -76.26 0.27 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.319 -0.863 . . . . 0.0 112.706 -155.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.97 -38.37 0.05 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 174.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 tp 68.39 -25.02 0.13 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.348 2.659 . . . . 0.0 114.804 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.98 -32.87 56.65 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 119.265 0.939 . . . . 0.0 114.754 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -70.76 -32.16 69.21 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.107 1.453 . . . . 0.0 111.777 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.8 78.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.582 0.753 . . . . 0.0 111.789 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 m -87.08 -19.3 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.289 0.635 . . . . 0.0 112.623 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.34 39.72 12.22 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 124.534 1.064 . . . . 0.0 111.911 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -151.32 95.27 2.13 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 129.536 3.135 . . . . 0.0 105.629 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.8 mt -71.8 53.96 0.25 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.183 1.793 . . . . 0.0 115.671 -156.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -71.29 156.77 39.14 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.975 -1.078 . . . . 0.0 111.95 165.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -93.92 -14.66 25.76 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.889 1.676 . . . . 0.0 113.257 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.9 p -150.7 141.52 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 127.02 2.128 . . . . 0.0 108.403 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 162.36 164.41 17.28 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 122.199 0.889 . . . . 0.0 114.576 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.7 p -104.34 143.16 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.449 1.5 . . . . 0.0 110.893 169.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 t -129.66 155.11 41.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 126.676 1.99 . . . . 0.0 108.046 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.1 m -146.84 146.15 30.11 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.26 -1.525 . . . . 0.0 111.062 162.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.0 mm -101.9 136.31 34.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 126.331 1.852 . . . . 0.0 108.411 174.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.47 -95.74 0.42 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.62 1.968 . . . . 0.0 109.682 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -81.93 79.89 8.35 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.754 1.622 . . . . 0.0 109.146 -173.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.35 51.79 0.07 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.107 2.563 . . . . 0.0 114.735 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.05 32.51 0.41 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.794 1.188 . . . . 0.0 114.547 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -142.1 -95.08 0.13 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.569 1.148 . . . . 0.0 111.939 -168.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.0 t -109.84 152.43 25.77 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 123.928 1.823 . . . . 0.0 114.255 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -54.61 4.53 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.816 1 C-N-CA 135.319 5.448 . . . . 0.0 117.921 170.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.5 tt -51.16 -39.61 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 121.513 1.96 . . . . 0.0 112.628 -170.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -53.15 -26.63 17.61 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.961 2.904 . . . . 0.0 116.456 171.219 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.1 t -108.63 -14.73 14.57 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.5 p -106.74 -26.46 11.29 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 120.654 1.57 . . . . 0.0 114.903 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.0 58.99 2.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.467 1.507 . . . . 0.0 109.049 167.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.465 1.906 . . . . 0.0 110.935 -175.586 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 117.392 -1.289 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -52.79 129.39 32.47 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.13 2.553 . . . . 0.0 113.315 -176.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.5 p -52.58 -38.88 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.851 1.261 . . . . 0.0 114.105 -168.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.54 0.67 57.48 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 176.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 m -90.32 -40.4 12.14 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.385 0.993 . . . . 0.0 110.789 163.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.78 -54.76 4.92 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 127.332 2.253 . . . . 0.0 114.298 -173.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.26 -33.15 63.2 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.112 0.869 . . . . 0.0 112.182 -176.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -70.66 -45.7 64.62 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 125.502 1.521 . . . . 0.0 111.37 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -53.46 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 118.985 -0.531 . . . . 0.0 109.658 169.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -56.65 -52.91 63.07 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.355 1.062 . . . . 0.0 111.61 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -56.99 -56.28 23.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.833 1.253 . . . . 0.0 112.016 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -67.92 -31.39 71.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.779 0.718 . . . . 0.0 112.002 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 tt -68.96 -39.04 79.73 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.34 -0.85 . . . . 0.0 111.794 173.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -61.54 -46.42 90.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.675 1.125 . . . . 0.0 111.613 170.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.39 -34.35 64.27 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.788 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG21 HG22 ' A' ' 100' ' ' ILE . 28.2 t -70.98 -58.73 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.888 1.222 . . . . 0.0 111.614 168.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -48.35 -30.71 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.323 1.849 . . . . 0.0 114.004 -176.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -58.01 -19.82 33.95 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 p -142.15 -24.87 0.67 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 167.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.9 146.12 27.91 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.882 1.23 . . . . 0.0 112.888 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.4 119.91 23.08 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.869 0.868 . . . . 0.0 111.209 -171.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -120.59 171.53 8.5 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.81 1.644 . . . . 0.0 113.167 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -143.34 152.23 41.39 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.73 2.012 . . . . 0.0 110.378 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.3 mt -139.06 125.83 20.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.026 1.33 . . . . 0.0 113.97 -165.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.99 152.45 24.06 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.632 1.111 . . . . 0.0 113.097 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' CE2' HD21 ' A' ' 56' ' ' LEU . 31.9 t80 -50.39 -59.74 3.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.877 1.271 . . . . 0.0 113.019 -164.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -52.35 -47.97 65.78 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.34 1.056 . . . . 0.0 112.254 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.95 -56.51 21.27 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.964 1.706 . . . . 0.0 111.847 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -59.35 -55.86 29.44 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.457 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.438 HG22 ' CE2' ' A' ' 59' ' ' TYR . 70.5 t -50.04 -46.31 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 121.719 2.054 . . . . 0.0 112.966 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -56.11 -52.49 64.13 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.026 0.83 . . . . 0.0 112.178 170.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 m -58.24 -43.4 87.76 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.064 1.746 . . . . 0.0 113.134 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.1 mt -70.7 -41.43 71.96 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.45 1.5 . . . . 0.0 110.921 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -62.8 -28.05 69.73 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.847 0.748 . . . . 0.0 112.534 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.76 4.47 11.61 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.166 1.387 . . . . 0.0 114.167 166.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.04 -32.37 1.51 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.223 1.868 . . . . 0.0 116.584 162.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -74.94 15.44 0.39 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -167.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.6 p -75.66 164.69 26.03 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.873 -1.142 . . . . 0.0 112.431 172.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -132.54 -22.77 2.14 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 158.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -141.15 134.61 29.83 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.04 0.837 . . . . 0.0 110.738 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.6 pt -113.01 137.89 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.673 1.189 . . . . 0.0 111.077 167.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.454 HD11 HD11 ' A' ' 41' ' ' LEU . 37.8 mm -108.06 129.87 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 C-N-CA 124.982 1.313 . . . . 0.0 107.772 169.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.0 mt -118.1 97.93 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 172.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -106.85 53.33 0.7 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.839 1.656 . . . . 0.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.8 155.18 39.65 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.637 -0.665 . . . . 0.0 111.915 -174.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -61.69 62.93 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 129.571 3.149 . . . . 0.0 113.251 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.5 m -94.36 115.1 64.86 Favored Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 125.545 1.538 . . . . 0.0 111.56 -157.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.48 152.71 25.57 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.283 2.655 . . . . 0.0 113.578 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.27 -41.53 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.918 0.887 . . . . 0.0 112.597 -173.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.4 -19.03 63.04 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.195 -0.941 . . . . 0.0 112.547 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -43.6 9.91 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.403 1.081 . . . . 0.0 110.11 -178.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -42.82 95.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 119.139 -0.457 . . . . 0.0 110.821 167.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.7 m -60.45 -43.81 96.47 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.33 -0.843 . . . . 0.0 112.583 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -63.56 -42.59 98.35 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 120.071 1.305 . . . . 0.0 112.811 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.456 HD21 ' CE2' ' A' ' 27' ' ' TYR . 5.5 mt -60.8 -44.72 96.48 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.242 -0.911 . . . . 0.0 113.361 174.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -62.75 -36.41 82.97 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 125.602 1.561 . . . . 0.0 112.237 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -62.5 -46.79 86.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.399 1.08 . . . . 0.0 111.459 169.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' CE2' HG22 ' A' ' 31' ' ' VAL . 25.2 m-85 -62.69 -43.44 98.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.481 1.037 . . . . 0.0 112.328 173.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.41 -47.0 69.95 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.095 0.861 . . . . 0.0 112.133 171.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.9 ttp -59.59 -37.13 77.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.158 1.383 . . . . 0.0 112.698 173.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.45 -65.54 0.67 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.701 1.137 . . . . 0.0 111.425 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.7 p -77.33 53.71 1.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.434 1.894 . . . . 0.0 113.19 -169.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -31.92 96.43 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.12 1.768 . . . . 0.0 112.837 -136.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -137.26 148.33 46.36 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.968 2.507 . . . . 0.0 111.26 -161.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -87.09 150.33 24.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.812 1.245 . . . . 0.0 111.544 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.84 137.08 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.827 1.651 . . . . 0.0 110.661 173.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -128.34 112.98 15.03 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.574 1.15 . . . . 0.0 111.716 167.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -79.94 85.86 5.51 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.901 1.28 . . . . 0.0 111.536 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -80.86 41.97 0.6 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.112 1.365 . . . . 0.0 110.986 177.634 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -68.71 92.12 0.46 Allowed 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.994 -1.066 . . . . 0.0 108.939 170.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.35 -117.24 0.73 Allowed Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.059 1.314 . . . . 0.0 110.974 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.38 -72.11 2.89 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 129.415 3.388 . . . . 0.0 110.664 9.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.6 p30 47.55 39.71 10.16 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.004 2.522 . . . . 0.0 114.205 173.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -152.3 -33.73 0.13 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.71 2.004 . . . . 0.0 112.673 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -55.53 -26.48 43.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.341 2.657 . . . . 0.0 114.136 -173.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.06 -15.21 12.55 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.106 2.162 . . . . 0.0 113.166 173.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.62 -32.62 32.29 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 124.961 1.267 . . . . 0.0 112.614 168.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.3 m -56.76 -31.75 64.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.469 1.908 . . . . 0.0 112.504 173.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.5 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -90.27 -50.74 5.8 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 124.242 1.017 . . . . 0.0 112.751 175.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.5 m -80.42 -29.73 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -170.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.65 40.05 77.73 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-N 119.198 0.908 . . . . 0.0 114.408 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -141.67 171.9 13.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.843 2.457 . . . . 0.0 108.997 169.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.58 11.27 10.55 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -167.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -54.99 -13.76 1.23 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 118.135 2.643 . . . . 0.0 118.135 -170.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 46.1 tpt85 150.1 -39.02 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 1 C-N-CA 133.658 4.783 . . . . 0.0 109.809 -178.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t 55.82 54.13 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 124.704 1.202 . . . . 0.0 113.133 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.98 -179.18 17.1 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 130.204 3.764 . . . . 0.0 113.522 5.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 p -93.69 136.2 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 121.872 -0.781 . . . . 0.0 110.737 170.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.4 t -130.72 156.8 42.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 127.04 2.136 . . . . 0.0 107.588 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 m -147.95 157.33 43.46 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 119.825 -1.797 . . . . 0.0 111.099 165.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -122.81 132.24 71.69 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 C-N-CA 126.293 1.837 . . . . 0.0 109.256 -174.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mp -114.51 -65.18 1.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.923 2.089 . . . . 0.0 111.78 -170.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.06 85.67 2.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.84 0.856 . . . . 0.0 109.77 -172.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.45 85.38 2.56 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 122.063 -0.398 . . . . 0.0 110.878 171.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.53 36.95 0.46 Allowed Glycine 0 CA--C 1.538 1.531 0 O-C-N 121.576 -0.703 . . . . 0.0 112.154 160.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -160.13 -154.81 0.41 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.893 1.677 . . . . 0.0 108.666 -155.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -54.64 148.88 11.71 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 124.596 2.141 . . . . 0.0 113.918 171.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -53.09 -4.12 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.723 1 C-N-CA 134.026 4.93 . . . . 0.0 117.636 174.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.443 HG22 HG21 ' A' ' 17' ' ' VAL . 8.5 tt -55.66 -32.43 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.306 1.412 . . . . 0.0 113.331 -164.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.262 1.1 pt? -66.46 -14.11 61.75 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.6 t -107.97 -50.08 3.11 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.281 1.032 . . . . 0.0 112.793 161.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.82 81.56 1.58 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.46 1.104 . . . . 0.0 112.591 -174.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.6 tt -103.45 -55.82 2.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.568 1.947 . . . . 0.0 111.511 169.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.245 0 C-N-CA 131.699 3.999 . . . . 0.0 112.74 -7.595 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 CA--C 1.545 0.777 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -42.62 49.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 119.554 1.07 . . . . 0.0 109.629 159.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -54.46 -49.93 68.91 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.474 1.51 . . . . 0.0 111.749 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -57.83 -53.66 55.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.5 1.12 . . . . 0.0 111.112 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 56.7 tttp -64.79 -36.69 85.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.076 0.55 . . . . 0.0 112.364 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.07 -38.77 72.45 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.084 0.954 . . . . 0.0 112.429 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.76 -43.26 89.41 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.805 1.184 . . . . 0.0 111.536 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -51.63 -42.32 61.94 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.813 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 t -64.51 -59.0 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.698 1.199 . . . . 0.0 112.969 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -54.49 -19.7 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.693 1.997 . . . . 0.0 113.693 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -47.13 -35.23 6.91 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.892 1.677 . . . . 0.0 113.462 165.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.5 p -150.36 -16.46 0.24 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.36 152.22 35.68 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.884 1.23 . . . . 0.0 111.905 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -94.51 138.06 32.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.836 0.827 . . . . 0.0 113.15 -163.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -141.16 174.33 10.64 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.4 1.48 . . . . 0.0 113.627 -170.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -146.6 150.77 36.13 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.536 1.935 . . . . 0.0 110.723 173.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.9 mt -136.29 126.08 25.67 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.368 1.467 . . . . 0.0 114.248 -164.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.89 147.67 11.74 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 123.707 0.67 . . . . 0.0 112.599 177.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.484 ' CE2' HD21 ' A' ' 56' ' ' LEU . 40.7 t80 -44.82 -59.2 2.65 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.291 1.436 . . . . 0.0 113.112 -163.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -56.46 -39.68 73.59 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -71.02 -46.05 62.85 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 125.541 1.536 . . . . 0.0 112.523 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.255 5.2 t -60.15 -61.33 2.69 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 117.683 -1.151 . . . . 0.0 108.994 168.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' A' ' 27' ' ' TYR . 59.5 t -47.71 -45.69 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 120.174 1.352 . . . . 0.0 113.104 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -45.41 -69.62 0.13 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.783 1.233 . . . . 0.0 111.489 166.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.0 m -77.01 -15.15 59.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -171.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 HG22 ' A' ' 42' ' ' ILE . 48.9 mt -69.51 -42.83 74.21 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.078 0.854 . . . . 0.0 111.06 162.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -71.49 -20.13 62.11 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.793 0.724 . . . . 0.0 112.852 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -71.37 -6.9 43.57 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 160.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.87 3.92 81.35 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.283 1.42 . . . . 0.0 115.264 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -94.32 -4.39 48.75 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -153.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 p -83.52 161.16 21.32 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.614 1.565 . . . . 0.0 113.824 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -123.24 -16.12 7.02 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.947 1.299 . . . . 0.0 113.567 163.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -144.78 136.85 25.98 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 118.995 0.816 . . . . 0.0 111.207 173.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.604 HG23 HG21 ' A' ' 65' ' ' THR . 25.0 pt -111.33 135.69 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.045 1.338 . . . . 0.0 111.054 165.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.548 HG21 HD22 ' A' ' 77' ' ' LEU . 36.8 mm -102.1 132.19 48.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 167.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -124.21 91.62 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 170.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -91.05 70.79 6.34 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.97 0.89 . . . . 0.0 111.513 175.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.6 148.5 16.15 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.718 2.007 . . . . 0.0 109.255 167.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -71.95 70.88 0.78 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.489 1.138 . . . . 0.0 110.747 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.7 m -78.13 130.47 72.28 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 127.261 2.224 . . . . 0.0 111.384 -156.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.61 152.86 77.63 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.553 2.169 . . . . 0.0 112.216 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.1 t -51.84 -46.6 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.631 1.572 . . . . 0.0 113.124 -165.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.97 -26.55 65.1 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -40.7 11.57 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.413 -0.805 . . . . 0.0 110.201 -176.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -49.01 79.08 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 168.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 m -63.5 -36.96 85.48 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 117.602 -1.189 . . . . 0.0 112.967 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.25 -43.32 95.22 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.661 1.573 . . . . 0.0 112.498 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 27' ' ' TYR . 6.1 mt -59.67 -43.94 93.8 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.106 0.866 . . . . 0.0 113.099 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.08 -40.36 93.4 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.72 2.008 . . . . 0.0 111.837 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -61.44 -46.49 89.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.102 1.361 . . . . 0.0 111.403 172.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -66.41 -36.71 83.51 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.114 -0.991 . . . . 0.0 112.935 173.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.97 -35.68 71.51 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.812 0.845 . . . . 0.0 113.039 170.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.7 ttp -78.31 -34.83 48.44 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.003 2.121 . . . . 0.0 114.031 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.93 -53.18 22.35 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.907 1.283 . . . . 0.0 111.35 173.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.5 p -62.29 -174.11 0.05 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.906 0.883 . . . . 0.0 110.309 156.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -121.82 75.75 1.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 O-C-N 119.529 -1.982 . . . . 0.0 109.573 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.604 HG21 HG23 ' A' ' 42' ' ' ILE . 86.5 m -132.54 133.56 43.88 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 114.434 -1.257 . . . . 0.0 111.222 -155.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -79.67 149.93 31.08 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.239 0.615 . . . . 0.0 110.937 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -113.2 128.86 69.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.539 1.136 . . . . 0.0 110.199 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -125.04 103.73 8.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.465 1.106 . . . . 0.0 111.062 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -79.49 87.97 5.08 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.877 1.271 . . . . 0.0 111.188 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.446 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 125.307 1.443 . . . . 0.0 108.68 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.548 HD22 HG21 ' A' ' 43' ' ' ILE . 14.8 tp . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 113.807 1.039 . . . . 0.0 113.807 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.51 -17.35 19.16 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 121.595 -0.691 . . . . 0.0 113.923 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -63.96 -38.65 91.86 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.687 1.195 . . . . 0.0 111.835 169.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.06 -26.14 59.15 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.758 1.223 . . . . 0.0 114.067 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -164.649 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.471 0.577 0 CA-C-O 121.308 0.575 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.5 t -135.83 158.46 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.824 1.649 . . . . 0.0 108.432 -172.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m -146.93 151.41 36.98 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 119.753 -1.842 . . . . 0.0 110.634 166.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.4 mm -123.22 133.51 68.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 C-N-CA 125.771 1.628 . . . . 0.0 109.588 -172.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 mp -115.57 -106.89 0.38 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.355 2.662 . . . . 0.0 108.517 -169.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.54 82.09 3.23 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.831 -1.168 . . . . 0.0 110.698 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 51.99 0.07 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.066 1.746 . . . . 0.0 113.285 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.49 47.68 1.16 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.633 1.587 . . . . 0.0 113.972 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -144.51 -83.99 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.713 1.605 . . . . 0.0 110.171 -174.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -108.38 155.16 20.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 123.355 1.55 . . . . 0.0 111.914 163.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -52.41 -1.1 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 1 C-N-CA 135.128 5.371 . . . . 0.0 117.586 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.416 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 13.8 tt -45.25 -49.2 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 120.087 1.312 . . . . 0.0 114.369 -157.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.473 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -173.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 CA--C 1.522 -0.131 0 CA-C-O 118.736 -0.65 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -48.35 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.419 177.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.96 -59.42 5.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.172 0.989 . . . . 0.0 110.228 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -63.46 -47.06 83.41 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -63.34 -34.85 78.6 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.652 -0.655 . . . . 0.0 111.892 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.25 -44.59 79.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.422 -0.799 . . . . 0.0 111.185 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.68 90.82 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.508 1.049 . . . . 0.0 112.076 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tt -54.47 -50.28 68.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.647 1.579 . . . . 0.0 111.125 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -55.97 -48.95 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.089 0.956 . . . . 0.0 112.404 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mt -54.72 -20.46 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 125.398 1.479 . . . . 0.0 113.762 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -57.0 -30.43 64.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.554 1.525 . . . . 0.0 113.363 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.9 p -150.85 -4.99 0.3 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -175.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.32 165.53 34.2 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.636 1.112 . . . . 0.0 113.535 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -93.8 112.9 24.84 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.754 1.222 . . . . 0.0 110.779 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -128.16 174.69 9.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.751 1.22 . . . . 0.0 113.802 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -148.05 148.92 31.2 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.286 1.835 . . . . 0.0 110.762 174.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -137.56 129.89 29.43 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.603 1.561 . . . . 0.0 113.766 -166.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.72 149.23 24.46 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.773 0.701 . . . . 0.0 111.791 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 35.2 t80 -57.01 -53.41 58.38 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -163.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -54.0 -46.89 71.88 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.396 1.078 . . . . 0.0 111.372 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -58.65 -53.18 61.3 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.73 1.612 . . . . 0.0 112.074 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.268 7.7 t -60.52 -56.59 19.55 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 116.734 -1.603 . . . . 0.0 110.185 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.4 t -48.25 -51.5 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 121.602 2.001 . . . . 0.0 112.755 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -49.93 -57.74 6.86 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.046 1.338 . . . . 0.0 111.19 171.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 m -61.78 -44.23 97.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.836 1.254 . . . . 0.0 112.757 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.5 mt -65.13 -39.64 93.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.533 1.133 . . . . 0.0 111.373 176.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -66.11 -35.62 80.99 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.795 0.838 . . . . 0.0 112.63 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -73.29 -40.85 64.22 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.71 -171.85 38.55 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 117.159 1.623 . . . . 0.0 117.159 -169.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.47 89.66 0.15 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.265 1.826 . . . . 0.0 112.934 -171.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -64.18 171.95 2.72 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.276 -0.89 . . . . 0.0 111.213 150.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -134.66 -24.02 1.56 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 164.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -143.68 129.81 19.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.138 1.775 . . . . 0.0 108.75 178.331 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.697 HG23 HG21 ' A' ' 65' ' ' THR . 13.0 pt -113.12 150.49 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.738 0.699 . . . . 0.0 111.364 166.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.605 HD11 HD11 ' A' ' 41' ' ' LEU . 17.5 mm -120.54 135.07 61.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 124.769 1.227 . . . . 0.0 109.694 175.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.11 92.2 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.636 0.732 . . . . 0.0 109.066 164.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -109.36 55.24 0.64 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.359 2.263 . . . . 0.0 109.275 165.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.5 159.54 43.95 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.768 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -66.54 55.74 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 129.375 3.07 . . . . 0.0 112.446 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.3 m -105.49 101.5 32.2 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 129.629 3.172 . . . . 0.0 109.876 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.31 174.13 12.61 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.586 2.858 . . . . 0.0 114.227 -168.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.2 t -51.8 -44.99 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 126.225 1.81 . . . . 0.0 114.744 -164.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.95 -39.27 72.71 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.715 1.143 . . . . 0.0 111.732 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -68.11 -46.76 70.01 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 127.203 2.201 . . . . 0.0 111.583 -175.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -57.04 -45.05 83.45 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -75.56 -25.15 56.86 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 122.824 0.45 . . . . 0.0 111.756 -168.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.45 -49.91 73.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.818 160.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.45 -44.66 76.6 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 120.424 1.466 . . . . 0.0 112.868 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.74 -47.26 77.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.682 2.393 . . . . 0.0 111.035 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.5 -49.85 75.93 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.003 1.321 . . . . 0.0 112.204 172.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -62.94 -40.79 98.73 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.195 -0.941 . . . . 0.0 112.089 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.83 91.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.009 0.924 . . . . 0.0 112.679 170.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -57.87 -38.44 75.72 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.785 0.834 . . . . 0.0 111.982 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.11 -68.22 0.38 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.77 1.168 . . . . 0.0 111.645 170.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.4 p -77.18 66.76 3.03 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.323 1.449 . . . . 0.0 111.578 -175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -33.91 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.535 2.334 . . . . 0.0 114.834 -146.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.697 HG21 HG23 ' A' ' 42' ' ' ILE . 3.5 m -134.57 147.28 50.23 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.418 1.887 . . . . 0.0 111.95 -165.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.13 153.62 21.38 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.375 0.67 . . . . 0.0 111.203 172.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.37 96.69 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 125.753 1.621 . . . . 0.0 109.96 -171.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.412 ' HB3' HD13 ' A' ' 43' ' ' ILE . 41.9 t80 -83.36 102.37 11.96 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.772 0.796 . . . . 0.0 110.435 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -79.03 122.8 26.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.784 0.802 . . . . 0.0 111.576 173.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.438 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.9 OUTLIER . . . . . 0 CA--C 1.547 0.852 0 C-N-CA 128.408 2.683 . . . . 0.0 107.932 -178.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.583 HD22 HG21 ' A' ' 43' ' ' ILE . 36.5 tp . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.55 -40.09 23.83 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 118.185 -1.342 . . . . 0.0 112.569 161.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.3 m -55.15 -31.43 61.31 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.25 2.025 . . . . 0.0 112.804 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.0 -65.67 0.74 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.977 0.808 . . . . 0.0 111.583 162.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.47 0.574 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -154.715 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 121.57 0.7 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.2 t -134.48 156.94 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.665 1.186 . . . . 0.0 109.466 -164.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.8 m -147.47 148.82 31.65 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 120.541 -1.35 . . . . 0.0 110.935 163.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.0 mm -120.87 132.51 70.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 125.853 1.661 . . . . 0.0 108.722 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.92 -58.37 2.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.256 1.822 . . . . 0.0 110.033 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -131.63 113.34 13.48 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.051 1.741 . . . . 0.0 109.084 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.89 73.04 1.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.581 0.752 . . . . 0.0 111.874 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.5 44.96 0.36 Allowed Glycine 0 CA--C 1.535 1.326 0 C-N-CA 126.66 2.076 . . . . 0.0 115.303 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -158.24 -81.87 0.06 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.205 1.402 . . . . 0.0 111.232 164.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -107.95 163.31 13.24 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.39 1.476 . . . . 0.0 113.288 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -64.77 12.22 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.811 2.844 . . . . 0.0 117.495 -162.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.8 tt -49.59 -43.5 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 120.003 1.274 . . . . 0.0 114.28 -157.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.251 0.2 OUTLIER . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -175.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 N--CA 1.468 0.459 0 CA-C-O 118.496 -0.764 . . . . 0.0 112.904 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -50.53 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 118.935 0.789 . . . . 0.0 108.959 169.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -55.94 9.79 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.731 1.612 . . . . 0.0 111.929 170.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.87 -47.39 85.21 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.178 0.991 . . . . 0.0 112.541 -177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.94 -40.86 98.94 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.572 0.749 . . . . 0.0 111.38 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.9 -39.73 94.87 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.736 0.815 . . . . 0.0 111.846 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.635 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -61.98 -48.52 79.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.552 1.069 . . . . 0.0 112.016 172.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -53.67 -43.79 69.15 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 124.674 1.19 . . . . 0.0 110.461 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -59.92 -57.56 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.276 1.03 . . . . 0.0 112.416 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mt -50.74 -29.37 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.317 1.847 . . . . 0.0 113.5 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -21.86 7.17 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 171.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 p -151.52 -14.04 0.2 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 163.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.35 157.83 43.03 Favored Glycine 0 CA--C 1.534 1.276 0 CA-C-N 119.949 1.25 . . . . 0.0 113.193 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -79.36 110.42 14.63 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.887 -0.773 . . . . 0.0 111.879 -171.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -118.41 173.34 6.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.07 1.348 . . . . 0.0 113.84 174.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -146.0 163.37 35.41 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.783 2.033 . . . . 0.0 110.954 171.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.9 mt -143.64 145.63 32.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.773 2.029 . . . . 0.0 111.716 -170.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.51 159.4 35.39 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.122 1.344 . . . . 0.0 113.013 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' CE1' HD21 ' A' ' 56' ' ' LEU . 79.4 t80 -65.6 -80.41 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -164.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -20.95 66.42 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.33 -1.481 . . . . 0.0 111.887 178.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.6 t -55.23 -56.34 21.09 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 127.133 2.173 . . . . 0.0 112.896 167.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 t -62.51 -45.58 92.36 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 116.723 -1.608 . . . . 0.0 110.535 172.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' CD2' ' A' ' 59' ' ' TYR . 93.6 t -47.49 -55.59 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 121.973 2.17 . . . . 0.0 112.672 176.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -50.64 58.7 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.624 1.97 . . . . 0.0 111.198 172.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -65.21 -41.14 94.76 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.918 1.287 . . . . 0.0 113.579 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.22 -29.87 71.12 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.668 1.987 . . . . 0.0 111.155 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -43.01 36.09 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.152 1.381 . . . . 0.0 112.825 170.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -63.6 -41.84 98.3 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.76 168.89 21.66 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.05 1.18 . . . . 0.0 116.05 -163.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -69.07 71.5 0.24 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.41 2.284 . . . . 0.0 112.077 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.5 p -62.12 152.29 33.31 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -142.18 -26.29 0.65 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 169.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -145.31 123.52 12.21 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.24 0.927 . . . . 0.0 109.907 -179.17 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.3 pt -106.05 144.78 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 118.748 0.704 . . . . 0.0 111.051 168.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.525 HD11 HD11 ' A' ' 41' ' ' LEU . 25.5 mm -110.65 134.47 52.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 125.118 1.367 . . . . 0.0 108.608 172.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mt -123.89 90.72 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.33 51.21 0.82 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.355 2.262 . . . . 0.0 110.416 172.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.78 168.37 19.83 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.335 1.454 . . . . 0.0 111.447 -172.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -68.37 55.22 0.08 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.782 2.033 . . . . 0.0 113.804 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.3 m -98.98 108.51 49.68 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 125.566 1.546 . . . . 0.0 112.026 -162.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -77.99 174.2 12.86 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.809 3.006 . . . . 0.0 112.573 172.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.4 t -53.02 -46.78 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.997 1.719 . . . . 0.0 113.451 -172.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.37 -44.96 89.75 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.259 0.936 . . . . 0.0 111.702 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -64.68 -45.52 86.33 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.612 1.165 . . . . 0.0 111.16 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -62.69 -43.07 99.74 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.244 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -56.72 -40.18 75.22 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.117 0.967 . . . . 0.0 111.893 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -55.61 32.27 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.885 0.766 . . . . 0.0 111.106 171.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.429 HD21 ' CE1' ' A' ' 27' ' ' TYR . 5.4 mt -57.78 -43.15 85.35 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.167 0.984 . . . . 0.0 112.992 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -62.44 -35.47 79.35 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 128.029 2.532 . . . . 0.0 112.208 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.19 -48.5 78.09 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.154 0.888 . . . . 0.0 111.596 168.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.436 ' CD2' HG22 ' A' ' 31' ' ' VAL . 39.0 m-85 -66.48 -30.63 71.01 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.154 -0.966 . . . . 0.0 113.348 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.73 71.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.966 1.306 . . . . 0.0 112.174 165.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -56.11 -41.61 75.51 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.808 1.243 . . . . 0.0 112.413 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.66 -78.75 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.328 1.051 . . . . 0.0 112.466 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 p -80.4 78.16 7.12 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.034 1.334 . . . . 0.0 109.374 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -35.34 100.39 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.326 2.25 . . . . 0.0 113.131 -152.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -137.25 146.05 44.31 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.689 2.396 . . . . 0.0 109.732 -165.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -87.41 155.01 20.22 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.286 0.493 . . . . 0.0 111.114 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.03 107.92 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 126.081 1.752 . . . . 0.0 110.157 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -95.83 101.69 13.4 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.888 0.851 . . . . 0.0 110.795 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -77.95 108.76 11.44 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.375 1.07 . . . . 0.0 110.613 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 CA--C 1.55 0.975 0 C-N-CA 126.196 1.798 . . . . 0.0 110.372 -176.605 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 tp . . . . . 0 CA--C 1.541 0.625 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.76 -24.9 34.68 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.163 -0.798 . . . . 0.0 113.561 167.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 m -64.2 -47.72 78.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.172 1.389 . . . . 0.0 111.005 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.635 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -68.14 -39.54 82.65 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.954 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 121.827 0.823 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.9 t -135.66 157.41 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 126.001 1.721 . . . . 0.0 107.621 -172.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 m -150.94 152.64 33.88 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 119.85 -1.781 . . . . 0.0 111.205 167.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.8 mm -121.66 134.37 65.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 126.298 1.839 . . . . 0.0 108.724 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.38 -67.78 0.96 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.524 1.53 . . . . 0.0 109.216 -173.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -123.93 89.46 3.09 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.204 1.002 . . . . 0.0 110.163 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.75 65.11 0.69 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.732 0.813 . . . . 0.0 111.767 171.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.36 43.98 0.9 Allowed Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.01 1.29 . . . . 0.0 112.983 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -145.6 -84.37 0.13 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.475 1.51 . . . . 0.0 110.072 -167.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 t -107.79 152.52 24.26 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 123.767 1.746 . . . . 0.0 111.519 160.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -52.23 11.78 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.824 1 C-N-CA 135.897 5.679 . . . . 0.0 117.319 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 tt -52.02 -52.68 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 121.171 1.805 . . . . 0.0 112.916 -169.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.313 0.1 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 175.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 CA--C 1.531 0.22 0 N-CA-C 110.911 -0.033 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -46.63 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.242 169.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -52.5 -55.14 24.12 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 120.055 1.298 . . . . 0.0 111.017 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -52.77 -61.62 2.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.857 0.863 . . . . 0.0 111.444 177.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -66.05 -37.04 84.83 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.98 -38.95 76.18 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.186 -0.912 . . . . 0.0 112.002 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.34 89.79 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.104 1.32 . . . . 0.0 112.068 172.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.35 -43.04 64.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.543 1.137 . . . . 0.0 110.841 171.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -63.55 -57.95 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.172 0.989 . . . . 0.0 112.838 169.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.5 mt -51.5 -31.4 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.43 1.492 . . . . 0.0 113.139 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -16.7 4.88 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.44 1.496 . . . . 0.0 114.435 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.3 p -148.82 -14.34 0.32 Allowed 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 164.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.47 170.78 39.18 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.465 1.507 . . . . 0.0 114.827 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.07 112.15 23.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.78 1.232 . . . . 0.0 111.346 -174.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -123.34 172.17 8.86 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.657 1.583 . . . . 0.0 113.618 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 t -142.77 156.97 45.07 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.49 1.916 . . . . 0.0 110.875 171.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.6 mt -141.06 130.81 24.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.069 1.748 . . . . 0.0 113.255 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.98 151.16 21.63 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.609 1.099 . . . . 0.0 113.032 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CE1' HD21 ' A' ' 56' ' ' LEU . 24.6 t80 -50.64 -57.5 8.08 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.842 1.257 . . . . 0.0 113.53 -162.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -55.58 -47.03 77.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.041 0.937 . . . . 0.0 112.101 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -60.5 -47.4 86.32 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 127.138 2.175 . . . . 0.0 112.845 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -66.0 -58.47 5.44 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 116.72 -1.61 . . . . 0.0 109.203 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -46.86 -49.75 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.561 1.982 . . . . 0.0 113.147 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -44.12 -65.11 0.55 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.516 1.527 . . . . 0.0 111.332 166.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -70.04 -27.2 64.46 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.146 1.378 . . . . 0.0 113.681 -169.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 mt -75.02 -38.78 61.42 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.393 1.077 . . . . 0.0 111.422 171.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -68.17 -20.83 64.9 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.668 0.667 . . . . 0.0 112.445 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -75.12 3.41 8.65 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.12 1.368 . . . . 0.0 113.849 161.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.9 -48.49 3.9 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.764 1.65 . . . . 0.0 115.725 160.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -78.98 20.39 0.48 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -164.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.8 p -70.68 162.58 28.76 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.594 1.088 . . . . 0.0 111.636 167.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -130.76 -14.71 3.55 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 164.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.528 HD11 ' CD1' ' A' ' 43' ' ' ILE . 2.6 tm? -139.23 130.45 26.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.661 1.119 . . . . 0.0 110.748 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.616 HG23 HG21 ' A' ' 65' ' ' THR . 14.6 pt -114.93 138.59 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.022 0.929 . . . . 0.0 111.182 161.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CD1' HD11 ' A' ' 41' ' ' LEU . 23.9 mm -111.63 139.84 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 124.273 1.029 . . . . 0.0 108.466 167.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 mt -122.67 94.04 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.21 58.86 3.37 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 123.594 1.664 . . . . 0.0 110.866 169.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.93 140.29 32.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.888 1.275 . . . . 0.0 110.826 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -73.04 72.98 1.17 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.341 1.856 . . . . 0.0 108.4 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.8 m -91.23 117.89 68.15 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 124.775 1.23 . . . . 0.0 112.383 -149.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.34 148.53 41.45 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.405 2.737 . . . . 0.0 113.301 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.9 -45.32 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.624 1.17 . . . . 0.0 112.472 -173.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.65 -39.67 94.11 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.864 0.756 . . . . 0.0 112.127 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -46.89 72.72 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.825 1.25 . . . . 0.0 110.202 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -62.66 -44.65 95.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.413 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.6 m -56.33 -41.26 75.77 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 123.975 0.91 . . . . 0.0 111.62 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -64.06 -47.6 79.51 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.271 0.941 . . . . 0.0 112.162 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.421 HD21 ' CE1' ' A' ' 27' ' ' TYR . 5.8 mt -58.6 -44.32 89.82 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.836 0.827 . . . . 0.0 112.986 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -63.74 -38.1 89.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.815 2.446 . . . . 0.0 111.793 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -62.54 -47.21 84.89 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.671 1.188 . . . . 0.0 111.448 169.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -66.47 -34.86 78.88 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.145 -0.972 . . . . 0.0 112.898 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.72 67.79 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 119.061 0.846 . . . . 0.0 113.151 168.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -81.66 -35.13 30.29 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.702 2.001 . . . . 0.0 114.03 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.08 -51.86 34.41 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.528 1.058 . . . . 0.0 111.549 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.6 p -61.73 -174.94 0.05 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.162 0.585 . . . . 0.0 110.241 156.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -121.99 75.98 1.26 Allowed 'General case' 0 N--CA 1.474 0.734 0 O-C-N 119.767 -1.833 . . . . 0.0 109.456 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.616 HG21 HG23 ' A' ' 42' ' ' ILE . 90.7 m -131.78 139.28 48.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.449 -154.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -78.78 143.16 36.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.467 1.107 . . . . 0.0 110.637 170.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.64 129.02 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.179 1.392 . . . . 0.0 110.013 172.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -123.69 106.02 10.18 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.738 1.215 . . . . 0.0 110.918 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -78.71 82.54 4.93 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.754 1.222 . . . . 0.0 111.268 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.3 t80 . . . . . 0 CA--C 1.52 -0.197 0 C-N-CA 123.514 0.726 . . . . 0.0 111.653 -167.128 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.421 HD22 HG21 ' A' ' 43' ' ' ILE . 35.1 tp . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.77 -31.67 2.75 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.739 1.161 . . . . 0.0 113.827 163.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -56.71 -52.25 65.66 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.431 1.492 . . . . 0.0 111.419 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.56 -38.68 80.95 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.473 0.71 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -172.245 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.637 0.732 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.86 155.43 41.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 126.758 2.023 . . . . 0.0 107.804 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.9 m -148.25 151.41 35.4 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 120.133 -1.604 . . . . 0.0 111.056 164.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.403 HG12 HD12 ' A' ' 41' ' ' LEU . 16.2 mm -121.1 137.07 56.01 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 C-N-CA 125.763 1.625 . . . . 0.0 110.008 -178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mp -119.96 -41.58 2.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.424 1.89 . . . . 0.0 112.655 -170.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.8 100.64 4.37 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.337 1.055 . . . . 0.0 109.456 169.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.591 ' HB3' HD22 ' A' ' 101' ' ' LEU . . . -75.09 66.85 1.69 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.456 0.646 . . . . 0.0 111.269 173.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.21 27.5 0.32 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.416 1.484 . . . . 0.0 115.894 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -137.86 -78.3 0.37 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.028 1.414 . . . . 0.0 110.091 -170.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -108.68 163.42 13.26 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 123.073 1.416 . . . . 0.0 111.953 159.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -52.44 7.2 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.919 1 C-N-CA 134.448 5.099 . . . . 0.0 118.57 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.7 tt -50.83 -47.15 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 121.102 1.774 . . . . 0.0 112.532 -161.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' A' ' 95' ' ' ALA 0.311 0.1 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -174.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 t . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 119.001 -0.523 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -51.76 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 123.961 0.904 . . . . 0.0 111.817 176.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -59.92 -50.43 73.8 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.168 0.895 . . . . 0.0 110.629 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -59.02 5.85 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.368 1.067 . . . . 0.0 111.878 172.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -58.45 -42.75 88.09 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.986 1.315 . . . . 0.0 111.42 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -69.41 -42.27 75.3 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.919 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.81 97.87 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.182 1.355 . . . . 0.0 111.925 172.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.75 -43.6 80.91 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.915 0.886 . . . . 0.0 110.89 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.2 t -59.77 -57.29 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.964 0.906 . . . . 0.0 111.875 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.3 -29.76 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.713 1.605 . . . . 0.0 113.248 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -23.87 12.55 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 171.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 p -154.68 -15.61 0.12 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 165.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.37 158.03 43.22 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-N 120.008 1.276 . . . . 0.0 112.556 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -89.04 111.66 22.44 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.856 -0.791 . . . . 0.0 111.869 -167.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -115.24 171.45 7.68 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.489 1.516 . . . . 0.0 113.662 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.4 t -143.93 151.61 40.01 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.741 2.016 . . . . 0.0 110.714 171.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -139.49 134.39 32.21 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.538 1.535 . . . . 0.0 112.961 -171.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.66 146.92 20.33 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 124.054 0.835 . . . . 0.0 111.878 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 37.4 t80 -54.48 -50.96 66.52 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.047 0.939 . . . . 0.0 113.23 -164.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.46 -46.35 76.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.21 1.004 . . . . 0.0 112.036 175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -62.9 -48.12 80.35 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 126.942 2.097 . . . . 0.0 112.822 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.275 8.0 t -59.98 -65.37 0.69 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-O 116.197 -1.858 . . . . 0.0 109.303 168.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 59' ' ' TYR . 70.3 t -45.35 -48.9 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 121.642 2.019 . . . . 0.0 113.203 -177.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -48.15 -60.89 2.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.639 1.175 . . . . 0.0 111.19 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 m -59.76 -35.84 75.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.272 1.429 . . . . 0.0 113.649 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.33 -40.92 61.89 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.361 0.665 . . . . 0.0 111.23 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -68.07 -28.23 67.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.372 1.069 . . . . 0.0 112.762 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -68.95 -3.19 11.89 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.648 1.179 . . . . 0.0 113.461 162.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.66 4.02 74.51 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.397 1.475 . . . . 0.0 114.716 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 0.86 23.04 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -152.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.7 p -68.31 168.9 11.55 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.877 0.871 . . . . 0.0 112.249 164.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -136.45 -16.86 1.55 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 158.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.419 HD11 HD11 ' A' ' 43' ' ' ILE . 1.4 tm? -140.88 133.37 28.48 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.244 1.017 . . . . 0.0 109.993 171.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.434 HG23 HG21 ' A' ' 65' ' ' THR . 15.6 pt -111.41 148.16 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.718 1.207 . . . . 0.0 111.904 168.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.419 HD11 HD11 ' A' ' 41' ' ' LEU . 19.4 mm -119.22 139.77 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.865 1.266 . . . . 0.0 109.331 170.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.39 85.0 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.556 0.742 . . . . 0.0 109.107 167.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.3 53.05 0.95 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.221 1.808 . . . . 0.0 110.017 166.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.5 137.72 21.84 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.958 1.703 . . . . 0.0 108.408 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -65.05 83.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 122.651 1.215 . . . . 0.0 112.481 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.1 m -106.5 109.47 63.15 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 128.037 2.535 . . . . 0.0 110.48 -163.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.76 165.42 29.69 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.575 2.183 . . . . 0.0 112.979 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.8 t -51.5 -52.66 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.371 1.468 . . . . 0.0 113.551 -165.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.24 -37.95 87.39 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.11 0.868 . . . . 0.0 112.075 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.73 -47.51 69.11 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.813 1.645 . . . . 0.0 110.406 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -62.92 -46.28 88.55 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 t -59.53 -33.3 71.21 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.309 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -67.65 -48.84 65.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.489 1.041 . . . . 0.0 111.273 172.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.13 -44.07 87.58 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.057 0.844 . . . . 0.0 112.537 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -61.09 -42.36 98.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.652 2.381 . . . . 0.0 111.417 176.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.65 -48.29 82.25 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.769 1.228 . . . . 0.0 111.701 169.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.405 ' CE2' HG13 ' A' ' 31' ' ' VAL . 35.2 m-85 -65.77 -38.55 89.37 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.273 -0.892 . . . . 0.0 112.933 176.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.0 -46.85 81.98 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.707 1.14 . . . . 0.0 111.962 170.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.9 ttp -58.59 -40.42 83.18 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.307 1.443 . . . . 0.0 112.607 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.33 -66.14 0.58 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.492 1.042 . . . . 0.0 111.601 172.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.5 p -71.47 46.29 0.11 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 129.459 3.103 . . . . 0.0 114.38 -169.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -31.51 96.06 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.78 1.632 . . . . 0.0 112.184 -134.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.434 HG21 HG23 ' A' ' 42' ' ' ILE . 1.7 m -133.16 142.55 48.7 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.453 2.301 . . . . 0.0 109.801 -162.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -78.82 150.36 32.32 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.974 -0.454 . . . . 0.0 110.892 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -105.97 148.97 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 125.388 1.475 . . . . 0.0 110.429 172.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -139.04 110.8 7.15 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.059 1.344 . . . . 0.0 111.386 166.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -79.81 130.5 35.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.309 0.644 . . . . 0.0 111.275 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.539 0.525 0 C-N-CA 124.414 1.086 . . . . 0.0 110.472 -177.074 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 tp . . . . . 0 N--CA 1.472 0.632 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.83 -38.52 23.32 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.978 0.799 . . . . 0.0 112.662 165.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 m -48.65 -44.29 37.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.826 1.651 . . . . 0.0 111.64 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.68 -67.67 0.51 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.143 0.977 . . . . 0.0 111.556 168.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -154.05 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.0 t -127.85 157.93 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.22 1.408 . . . . 0.0 109.538 -166.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.1 m -146.0 156.48 43.53 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 120.429 -1.419 . . . . 0.0 111.213 156.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.6 mm -117.57 126.93 75.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 126.647 1.979 . . . . 0.0 108.161 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.98 -43.16 5.86 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.442 2.297 . . . . 0.0 111.788 -170.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -139.02 110.67 7.1 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.124 1.37 . . . . 0.0 109.396 171.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.5 56.31 0.25 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.579 0.752 . . . . 0.0 111.852 167.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.56 31.6 0.59 Allowed Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.501 1.524 . . . . 0.0 113.741 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -148.52 -95.91 0.08 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.097 1.759 . . . . 0.0 109.429 -170.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.5 t -109.17 154.49 22.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 123.764 1.745 . . . . 0.0 112.638 168.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.32 18.68 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.957 1 C-N-CA 136.968 6.107 . . . . 0.0 118.707 -176.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 tt -49.37 -51.04 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 121.367 1.894 . . . . 0.0 113.397 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.328 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.464 0.258 0 CA-C-O 118.903 -0.57 . . . . 0.0 109.727 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -56.1 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 118.218 -0.896 . . . . 0.0 112.69 -165.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -62.37 -55.09 31.34 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.716 1.144 . . . . 0.0 110.767 -169.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.06 -57.37 11.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.227 1.811 . . . . 0.0 111.931 172.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.68 -30.44 69.11 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.944 -172.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.82 -43.6 79.23 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.808 0.731 . . . . 0.0 110.693 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.5 93.54 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.987 0.812 . . . . 0.0 112.126 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.72 -38.41 75.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.877 0.871 . . . . 0.0 111.349 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.66 -54.93 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.082 1.353 . . . . 0.0 112.652 167.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.6 mt -55.82 -20.45 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.775 1.63 . . . . 0.0 113.642 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -48.06 -37.47 15.12 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.717 1.607 . . . . 0.0 113.844 167.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 p -149.21 -1.42 0.47 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.31 -165.93 28.23 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.345 1.45 . . . . 0.0 113.447 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.43 117.32 20.36 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.529 -0.983 . . . . 0.0 111.766 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -131.18 175.74 8.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.185 2.194 . . . . 0.0 112.724 -172.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 t -146.99 150.6 35.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.061 1.745 . . . . 0.0 110.511 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -136.76 129.67 30.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.803 1.641 . . . . 0.0 112.544 -171.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.25 150.65 26.95 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.671 1.129 . . . . 0.0 112.557 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.21 -58.38 7.94 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.922 0.889 . . . . 0.0 113.179 -164.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.17 -41.68 75.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.956 0.903 . . . . 0.0 111.946 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -58.1 -56.93 15.63 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.605 1.562 . . . . 0.0 111.408 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.262 9.9 t -60.37 -52.55 64.76 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.416 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -48.8 -50.91 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 121.669 2.032 . . . . 0.0 112.57 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -54.79 -53.06 60.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.562 0.745 . . . . 0.0 111.634 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -58.29 -52.47 65.46 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.697 1.599 . . . . 0.0 112.333 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.63 -34.67 77.51 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.227 1.411 . . . . 0.0 112.015 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -78.06 -29.2 49.12 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.035 0.934 . . . . 0.0 113.208 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -105.59 -14.51 15.26 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.08 168.59 28.23 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 120.436 1.471 . . . . 0.0 114.862 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HZ1' ' CD ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -75.03 83.13 2.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.989 1.315 . . . . 0.0 110.76 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 93' ' ' LEU . 81.5 p -68.9 161.66 28.27 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 122.106 -0.371 . . . . 0.0 111.355 158.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -136.02 -22.54 1.38 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 169.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 43' ' ' ILE . 1.8 tm? -143.27 125.72 15.74 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.798 0.726 . . . . 0.0 110.365 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.621 HG23 HG21 ' A' ' 65' ' ' THR . 13.8 pt -107.22 140.78 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.953 0.901 . . . . 0.0 111.302 166.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.547 HD11 HD11 ' A' ' 41' ' ' LEU . 25.4 mm -110.26 135.34 49.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 124.353 1.061 . . . . 0.0 108.474 169.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.3 mt -119.76 83.29 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 171.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.89 50.03 1.09 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.735 1.614 . . . . 0.0 110.397 168.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.3 144.58 40.51 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 125.894 1.678 . . . . 0.0 107.437 172.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -76.86 85.23 3.43 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.969 0.89 . . . . 0.0 109.93 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.7 m -105.85 113.65 63.6 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.395 1.478 . . . . 0.0 111.154 -152.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.28 161.35 46.33 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.793 2.328 . . . . 0.0 112.763 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.12 -58.74 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.349 1.86 . . . . 0.0 113.493 -165.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.97 -35.78 77.68 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.619 0.645 . . . . 0.0 112.426 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -50.23 27.35 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.048 1.339 . . . . 0.0 110.461 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -58.26 -48.83 79.19 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.9 m -76.19 -17.07 59.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 118.158 -0.925 . . . . 0.0 113.261 -171.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -66.44 -47.29 73.64 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.012 1.278 . . . . 0.0 111.196 161.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.59 -42.73 97.31 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.311 0.959 . . . . 0.0 112.575 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -57.42 -41.66 80.81 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.471 2.308 . . . . 0.0 110.81 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -62.59 -48.92 77.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.986 1.315 . . . . 0.0 112.011 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -62.79 -41.93 99.48 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.08 0.855 . . . . 0.0 112.014 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.06 -44.71 79.15 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.501 0.72 . . . . 0.0 112.353 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -60.1 -41.88 93.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.816 1.247 . . . . 0.0 112.446 172.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.5 -75.06 0.09 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.293 1.037 . . . . 0.0 112.016 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 p -80.07 79.79 6.57 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.897 1.279 . . . . 0.0 109.531 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -36.87 95.7 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.675 2.79 . . . . 0.0 114.269 -155.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.621 HG21 HG23 ' A' ' 42' ' ' ILE . 7.1 m -136.1 142.98 44.35 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.871 2.068 . . . . 0.0 110.494 -166.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -79.84 143.44 34.36 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.922 -0.486 . . . . 0.0 110.878 172.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.7 t -102.45 132.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 125.824 1.65 . . . . 0.0 109.547 173.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -127.23 107.09 9.7 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.222 1.009 . . . . 0.0 111.596 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -79.67 119.34 22.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.868 1.267 . . . . 0.0 111.208 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.543 0.687 0 C-N-CA 125.211 1.404 . . . . 0.0 110.888 -172.27 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.534 HD22 HG21 ' A' ' 43' ' ' ILE . 21.0 tp . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.27 -30.83 49.13 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.995 -1.065 . . . . 0.0 112.676 168.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 m -51.2 -41.02 59.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.608 1.563 . . . . 0.0 111.063 171.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.33 -68.9 0.51 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.277 1.031 . . . . 0.0 111.677 166.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -152.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.4 p . . . . . 0 CA--C 1.533 0.312 0 CA-C-O 121.504 0.668 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.4 t -134.47 157.07 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 125.5 1.52 . . . . 0.0 108.885 -166.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 m -147.49 155.12 41.58 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 120.315 -1.491 . . . . 0.0 111.402 162.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.0 mm -120.57 129.13 75.93 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 C-N-CA 126.621 1.968 . . . . 0.0 108.836 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 39' ' ' SER . 5.3 mp -101.77 -63.87 1.11 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.48 1.912 . . . . 0.0 109.532 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.412 ' CD ' ' HZ1' ' A' ' 38' ' ' LYS . 17.0 mm-40 -117.34 103.31 10.02 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 124.395 1.078 . . . . 0.0 109.541 -177.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.21 56.08 0.46 Allowed 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.615 -0.678 . . . . 0.0 111.219 166.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.06 38.14 0.79 Allowed Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.815 1.674 . . . . 0.0 113.644 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -145.94 -93.65 0.09 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.138 1.775 . . . . 0.0 109.264 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -109.94 177.11 4.82 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 123.243 1.497 . . . . 0.0 113.107 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -53.81 -6.03 0.08 Allowed 'General case' 0 CA--C 1.543 0.708 1 C-N-CA 134.012 4.925 . . . . 0.0 121.36 -168.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . 0.252 13.1 tt -48.21 -59.47 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 123.401 2.819 . . . . 0.0 114.982 -154.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.298 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 116.758 2.133 . . . . 0.0 116.758 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 m . . . . . 0 CA--C 1.517 -0.302 0 CA-C-O 118.468 -0.777 . . . . 0.0 111.399 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -47.74 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.962 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -54.08 -57.81 9.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.294 0.952 . . . . 0.0 112.198 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -53.66 -58.53 6.87 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.799 1.639 . . . . 0.0 111.848 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.93 -37.48 82.46 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.798 1.239 . . . . 0.0 111.545 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.99 -42.16 81.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.136 -0.935 . . . . 0.0 112.158 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.49 87.96 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.793 1.178 . . . . 0.0 111.942 173.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -53.99 -42.16 68.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.369 1.468 . . . . 0.0 111.934 173.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 t -60.02 -62.71 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.994 1.317 . . . . 0.0 111.303 166.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.84 -32.71 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.765 1.626 . . . . 0.0 113.702 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -28.79 8.2 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.079 1.352 . . . . 0.0 114.431 171.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p -144.92 -6.68 0.67 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.54 -165.56 33.12 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 127.058 2.266 . . . . 0.0 113.979 175.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.95 113.41 13.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.411 1.085 . . . . 0.0 110.072 -176.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -131.34 174.37 10.13 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.619 1.568 . . . . 0.0 113.656 -170.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -145.86 155.13 42.69 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.698 1.999 . . . . 0.0 111.131 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -140.81 127.06 19.71 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.847 1.659 . . . . 0.0 113.396 -167.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.49 151.1 25.39 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.443 1.021 . . . . 0.0 112.758 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.524 ' CE2' HD21 ' A' ' 56' ' ' LEU . 37.8 t80 -50.52 -58.47 5.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.742 1.217 . . . . 0.0 112.998 -164.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.12 -44.51 79.22 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.746 0.818 . . . . 0.0 112.299 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -60.7 -50.24 74.28 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 126.588 1.955 . . . . 0.0 112.625 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.264 10.0 t -60.84 -62.03 2.15 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 116.668 -1.634 . . . . 0.0 108.856 170.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG21 ' CE1' ' A' ' 27' ' ' TYR . 71.9 t -48.21 -46.46 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 121.405 1.911 . . . . 0.0 113.555 -176.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -57.4 9.02 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.346 1.058 . . . . 0.0 111.119 169.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.3 m -64.63 -31.51 72.77 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.178 1.391 . . . . 0.0 113.849 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.6 mt -74.21 -39.18 63.29 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.891 0.877 . . . . 0.0 110.817 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -65.18 -24.01 67.26 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.94 0.896 . . . . 0.0 112.833 171.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -72.5 -1.99 17.95 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 163.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.18 -33.25 0.94 Allowed Glycine 0 CA--C 1.534 1.246 0 C-N-CA 126.675 2.083 . . . . 0.0 116.169 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -83.24 8.25 13.9 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.202 1.801 . . . . 0.0 115.233 -169.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.8 p -62.12 173.38 1.13 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.457 1.503 . . . . 0.0 112.03 165.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.77 -26.31 0.19 Allowed 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD11 HD11 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -147.16 128.93 15.25 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.72 1.208 . . . . 0.0 110.028 169.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.521 HG23 HG21 ' A' ' 65' ' ' THR . 17.3 pt -104.49 142.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.551 1.141 . . . . 0.0 111.667 168.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 41' ' ' LEU . 24.1 mm -115.6 137.02 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.626 1.17 . . . . 0.0 108.441 167.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.4 mt -119.5 86.14 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.44 12.49 34.85 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.773 1.629 . . . . 0.0 112.066 164.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.82 152.56 24.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.652 1.181 . . . . 0.0 111.161 169.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -73.3 76.35 1.34 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.498 1.519 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -106.6 104.84 52.7 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 125.574 1.55 . . . . 0.0 111.75 -157.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.89 164.23 35.44 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.228 1.952 . . . . 0.0 112.05 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.3 t -50.85 -50.27 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.622 1.569 . . . . 0.0 113.088 -168.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.78 -47.4 84.86 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.804 -0.56 . . . . 0.0 111.036 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -42.51 95.14 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.353 1.461 . . . . 0.0 110.801 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -64.76 -43.53 93.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.917 0.781 . . . . 0.0 109.198 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.0 p -57.28 -35.36 69.7 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.38 0.672 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.37 -44.92 74.16 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.362 0.665 . . . . 0.0 111.605 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.524 HD21 ' CE2' ' A' ' 27' ' ' TYR . 6.9 mt -57.75 -44.31 86.02 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 172.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.34 -40.81 98.33 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.492 2.317 . . . . 0.0 110.979 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.99 -47.39 86.69 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.482 1.513 . . . . 0.0 111.748 170.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.41 ' CE2' HG22 ' A' ' 31' ' ' VAL . 24.3 m-85 -64.88 -39.09 92.99 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.042 -1.036 . . . . 0.0 112.659 174.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.11 -36.73 71.0 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.969 0.908 . . . . 0.0 112.854 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 59.1 ttp -73.46 -41.15 63.55 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.448 1.899 . . . . 0.0 113.644 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.49 -60.79 2.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.714 1.206 . . . . 0.0 111.109 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.2 p -58.23 176.59 0.16 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.088 0.955 . . . . 0.0 110.62 162.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -112.24 75.54 0.92 Allowed 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.036 -1.665 . . . . 0.0 108.998 179.455 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.521 HG21 HG23 ' A' ' 42' ' ' ILE . 78.2 m -135.98 129.15 31.65 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 113.935 -1.484 . . . . 0.0 111.472 -156.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -78.53 157.36 28.85 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.368 1.067 . . . . 0.0 110.91 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.99 142.69 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.559 1.143 . . . . 0.0 111.244 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -139.34 156.41 47.04 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.616 1.166 . . . . 0.0 112.641 168.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -130.07 120.1 24.12 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.715 1.606 . . . . 0.0 111.123 -172.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.54 0.581 0 C-N-CA 123.607 0.763 . . . . 0.0 111.948 -167.382 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 CA--C 1.537 0.463 0 CA-C-O 119.654 -0.212 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.03 -22.81 29.58 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.553 0.597 . . . . 0.0 113.486 164.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.7 m -97.2 -23.02 16.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.904 1.281 . . . . 0.0 111.71 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.2 -48.74 66.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.03 0.932 . . . . 0.0 111.616 165.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.473 0.689 0 C-N-CA 122.806 0.443 . . . . 0.0 111.017 173.247 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.467 0.401 0 CA-C-O 121.851 0.834 . . . . 0.0 109.548 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.4 t -127.38 157.07 39.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 126.446 1.899 . . . . 0.0 107.868 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -146.65 150.14 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 119.947 -1.721 . . . . 0.0 110.373 160.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.5 mm -113.43 131.22 65.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 C-N-CA 126.217 1.807 . . . . 0.0 107.801 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.53 -54.14 3.91 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.621 1.568 . . . . 0.0 109.309 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -134.13 122.03 22.3 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.727 1.211 . . . . 0.0 110.911 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.08 75.01 5.61 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.775 1.23 . . . . 0.0 111.514 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.68 39.29 0.38 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.267 1.413 . . . . 0.0 115.676 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -154.1 -90.07 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.819 1.647 . . . . 0.0 109.541 162.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.3 t -107.09 158.39 17.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.053 1.341 . . . . 0.0 112.242 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.95 34.35 0.19 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.687 1.995 . . . . 0.0 116.274 -152.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.8 tt -52.59 -35.3 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -167.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.411 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.451 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 171.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 CA--C 1.531 0.236 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.81 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 C-N-CA 125.679 1.592 . . . . 0.0 110.694 175.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -62.53 -55.16 30.03 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.773 0.715 . . . . 0.0 110.777 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -62.22 -46.57 88.28 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.216 0.606 . . . . 0.0 111.96 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -68.59 -37.17 79.6 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.446 0.566 . . . . 0.0 112.457 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.91 -36.64 82.73 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.233 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -62.14 -44.31 96.9 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.645 1.111 . . . . 0.0 112.206 169.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.3 -46.76 76.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.186 0.994 . . . . 0.0 110.44 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.3 -60.87 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.301 1.041 . . . . 0.0 111.771 168.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.413 HG23 ' CE1' ' A' ' 23' ' ' TYR . 4.1 mt -55.02 -24.33 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.716 1.606 . . . . 0.0 113.849 -176.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -49.95 -34.73 21.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.07 1.348 . . . . 0.0 113.737 171.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.8 p -149.29 -5.03 0.39 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.577 2.065 . . . . 0.0 116.577 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.31 178.08 53.06 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.846 1.212 . . . . 0.0 113.08 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.42 109.6 21.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.611 1.564 . . . . 0.0 110.446 -173.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.413 ' CE1' HG23 ' A' ' 18' ' ' ILE . 41.5 p90 -123.75 168.36 12.81 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.098 1.759 . . . . 0.0 112.913 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -141.94 152.16 43.24 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.332 1.853 . . . . 0.0 110.733 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -137.14 118.93 15.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.853 1.261 . . . . 0.0 113.326 -162.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.53 160.85 36.91 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.647 1.118 . . . . 0.0 113.676 174.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.405 ' CE1' HD21 ' A' ' 56' ' ' LEU . 11.6 t80 -54.98 -62.39 1.69 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.45 1.1 . . . . 0.0 113.738 -163.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -54.31 -46.36 72.79 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.932 0.893 . . . . 0.0 111.928 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -55.08 -55.07 35.13 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.166 1.786 . . . . 0.0 111.815 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -65.61 -46.91 77.5 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 116.183 -1.865 . . . . 0.0 109.858 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -52.37 -51.08 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 122.88 2.582 . . . . 0.0 111.417 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -50.06 -48.48 52.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.85 1.26 . . . . 0.0 112.301 170.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -71.26 -46.01 61.91 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.308 1.443 . . . . 0.0 113.029 -175.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.42 -17.44 64.78 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.612 1.965 . . . . 0.0 112.069 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -52.1 5.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.517 1.527 . . . . 0.0 113.042 164.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -100.25 0.05 39.55 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -165.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.28 165.97 27.3 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 120.292 1.405 . . . . 0.0 114.288 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 70.71 4.43 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.237 1.415 . . . . 0.0 111.377 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.0 p -64.42 150.6 46.11 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.516 -0.74 . . . . 0.0 112.173 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -138.42 -22.44 1.01 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -144.77 130.08 18.72 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.21 1.404 . . . . 0.0 110.199 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.55 HG23 HG21 ' A' ' 65' ' ' THR . 16.4 pt -109.71 124.38 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.069 1.348 . . . . 0.0 110.968 165.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.4 mm -89.84 123.71 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 124.588 1.155 . . . . 0.0 107.922 162.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mt -109.92 108.75 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 166.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.0 51.2 1.68 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.276 2.231 . . . . 0.0 110.735 -176.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.07 169.38 17.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.477 1.511 . . . . 0.0 110.598 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.59 22.1 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 126.504 1.922 . . . . 0.0 113.657 176.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 m -52.97 109.8 1.65 Allowed Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 129.88 3.272 . . . . 0.0 112.022 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -78.25 173.49 13.79 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.6 2.867 . . . . 0.0 112.794 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -50.61 -48.41 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.354 1.862 . . . . 0.0 114.214 -167.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.92 -45.97 76.25 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.479 1.036 . . . . 0.0 111.09 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -46.14 87.71 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.373 1.869 . . . . 0.0 110.44 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -46.75 86.73 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.255 0.622 . . . . 0.0 110.132 174.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.2 m -59.47 -35.64 74.46 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.178 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -65.66 -47.46 75.45 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.526 1.057 . . . . 0.0 112.368 172.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.405 HD21 ' CE1' ' A' ' 27' ' ' TYR . 4.2 mt -60.77 -41.88 96.4 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.088 -1.007 . . . . 0.0 112.687 175.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.98 -39.33 89.23 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.96 2.104 . . . . 0.0 111.694 172.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -60.2 -48.71 80.59 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.761 1.225 . . . . 0.0 111.347 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -64.36 -37.72 88.51 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.048 -1.032 . . . . 0.0 112.718 174.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.04 74.66 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 170.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.9 ttp -77.94 -35.32 50.54 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.892 2.077 . . . . 0.0 113.891 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.5 -56.46 8.3 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.837 1.255 . . . . 0.0 110.802 173.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -60.55 -177.68 0.08 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.044 0.538 . . . . 0.0 110.18 157.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -116.94 66.18 0.72 Allowed 'General case' 0 N--CA 1.476 0.835 0 O-C-N 119.438 -2.039 . . . . 0.0 109.326 -178.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.55 HG21 HG23 ' A' ' 42' ' ' ILE . 87.8 m -125.47 130.49 51.92 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.775 1.23 . . . . 0.0 110.388 -156.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.99 149.34 32.27 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.745 -0.597 . . . . 0.0 110.321 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.01 131.94 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.921 1.288 . . . . 0.0 110.63 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -129.92 103.14 6.62 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.671 1.188 . . . . 0.0 111.274 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -79.97 76.49 6.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.734 1.214 . . . . 0.0 112.887 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.55 0.958 0 C-N-CA 125.745 1.618 . . . . 0.0 111.261 170.64 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 tp . . . . . 0 CA--C 1.538 0.492 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.66 -42.51 45.0 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 124.11 0.862 . . . . 0.0 113.664 164.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 m -69.04 -16.12 63.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.153 1.381 . . . . 0.0 111.509 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -90.42 -52.07 5.1 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.484 1.114 . . . . 0.0 112.942 171.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.5 m . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -179.478 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.468 0.439 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.4 t -134.03 109.52 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 126.41 1.884 . . . . 0.0 107.401 -174.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 m -113.19 141.51 46.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.0 mm -116.76 131.51 69.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 C-N-CA 125.258 1.423 . . . . 0.0 108.609 -174.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.44 -60.53 1.55 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.288 1.835 . . . . 0.0 109.88 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.85 108.39 12.94 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.168 1.387 . . . . 0.0 109.114 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.02 -15.0 62.95 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.24 74.42 0.01 OUTLIER Glycine 0 CA--C 1.532 1.099 0 C-N-CA 127.478 2.466 . . . . 0.0 117.8 -148.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -153.39 -56.63 0.12 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.394 2.677 . . . . 0.0 107.033 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -106.68 -164.97 1.04 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.04 0.936 . . . . 0.0 110.108 144.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -105.17 -3.01 23.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -168.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.4 tt -39.09 -39.07 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -137.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.783 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 168.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 118.599 -0.715 . . . . 0.0 112.299 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -49.69 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 119.042 0.837 . . . . 0.0 110.62 171.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -57.66 -54.03 51.43 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.936 1.294 . . . . 0.0 111.569 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -52.4 63.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.535 1.934 . . . . 0.0 112.088 174.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 54.4 tttp -64.74 -32.02 73.51 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 118.784 0.72 . . . . 0.0 112.135 176.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.81 -32.22 73.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.41 -1.432 . . . . 0.0 112.656 173.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.1 -38.9 93.0 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.532 1.06 . . . . 0.0 112.575 164.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.19 -28.28 67.83 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.587 0.755 . . . . 0.0 112.081 171.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.39 -65.01 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 119.495 1.043 . . . . 0.0 109.217 163.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 mt -57.33 -19.92 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 125.73 1.612 . . . . 0.0 113.993 -168.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -53.58 -31.63 47.54 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.618 1.099 . . . . 0.0 113.851 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 p -155.92 -5.59 0.12 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -171.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.48 156.82 18.36 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 125.563 1.554 . . . . 0.0 113.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -85.7 112.7 21.28 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.503 0.721 . . . . 0.0 110.988 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -113.08 169.23 9.08 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.583 1.553 . . . . 0.0 112.812 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -141.95 153.46 44.36 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.211 1.804 . . . . 0.0 110.921 172.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.5 mt -134.85 127.21 30.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.629 1.571 . . . . 0.0 113.75 -167.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.45 149.73 10.69 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.272 1.415 . . . . 0.0 112.93 173.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.453 ' CE1' HD21 ' A' ' 56' ' ' LEU . 24.7 t80 -45.25 -55.93 5.36 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.18 1.792 . . . . 0.0 112.973 -164.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -39.94 -59.92 1.12 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.45 1.9 . . . . 0.0 113.043 171.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -70.16 -43.87 69.97 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 127.856 2.463 . . . . 0.0 112.149 -166.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.256 8.8 t -60.79 -64.74 0.85 Allowed 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 116.216 -1.85 . . . . 0.0 108.64 166.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.0 t -49.26 -45.58 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 121.823 2.102 . . . . 0.0 113.464 -174.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -43.78 -66.07 0.43 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.385 1.474 . . . . 0.0 111.147 164.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 m -62.69 -31.57 72.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.487 1.515 . . . . 0.0 113.873 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.6 -45.86 57.06 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.659 1.184 . . . . 0.0 111.081 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 mtt-85 -62.83 -31.5 72.51 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.241 1.017 . . . . 0.0 112.145 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -72.61 -4.24 29.68 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.565 1.146 . . . . 0.0 114.034 167.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.65 2.56 51.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.324 1.44 . . . . 0.0 115.306 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.28 0.05 57.41 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.628 1.214 . . . . 0.0 113.626 -167.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -69.46 161.4 29.53 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.162 0.985 . . . . 0.0 112.968 166.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -130.95 -16.95 3.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.079 0.951 . . . . 0.0 113.01 158.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.572 HD11 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -145.04 138.56 26.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.071 1.348 . . . . 0.0 109.594 176.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.415 HG23 HG21 ' A' ' 65' ' ' THR . 23.0 pt -116.64 142.7 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.746 1.218 . . . . 0.0 111.336 165.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.572 HD11 HD11 ' A' ' 41' ' ' LEU . 40.4 mm -117.28 110.76 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 126.248 1.819 . . . . 0.0 109.079 177.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 mt -99.98 97.46 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.24 17.09 17.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.965 2.106 . . . . 0.0 111.497 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.62 148.61 30.2 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.852 -1.155 . . . . 0.0 108.481 160.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -77.42 87.59 3.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 171.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.7 m -105.07 122.33 43.49 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 126.129 1.772 . . . . 0.0 112.512 -150.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.7 156.83 53.01 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.533 2.155 . . . . 0.0 112.331 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.7 t -50.56 -54.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.827 1.651 . . . . 0.0 113.178 -167.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 99.0 mt -63.37 -22.22 66.75 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -40.69 12.02 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.376 -0.828 . . . . 0.0 110.505 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -58.41 -49.13 78.39 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 169.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.2 m -77.93 -19.75 54.06 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.502 -1.237 . . . . 0.0 113.462 -170.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -67.08 -41.24 86.67 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 120.993 1.724 . . . . 0.0 112.644 160.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD21 ' CE1' ' A' ' 27' ' ' TYR . 5.7 mt -60.81 -44.0 97.46 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.07 1.304 . . . . 0.0 113.597 172.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -56.15 -44.43 79.25 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.747 2.419 . . . . 0.0 110.269 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -59.99 -46.58 88.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.194 1.398 . . . . 0.0 112.148 171.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.13 -39.23 92.75 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.067 1.303 . . . . 0.0 113.092 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.78 -33.52 68.63 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 170.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.7 ttp -80.29 -36.26 34.67 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.62 1.968 . . . . 0.0 113.92 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.06 -55.35 14.72 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.254 1.422 . . . . 0.0 110.914 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.3 p -61.4 -175.91 0.06 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.239 0.615 . . . . 0.0 110.245 157.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -122.2 89.64 3.15 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.148 -1.595 . . . . 0.0 108.249 172.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.415 HG21 HG23 ' A' ' 42' ' ' ILE . 81.1 m -143.24 138.52 29.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.132 1.373 . . . . 0.0 110.846 -157.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -78.33 124.0 27.61 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.537 1.135 . . . . 0.0 110.47 174.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.4 t -85.72 127.11 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.156 0.582 . . . . 0.0 110.135 167.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -122.23 120.24 33.56 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.071 0.948 . . . . 0.0 111.952 167.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.14 97.68 9.49 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.551 1.14 . . . . 0.0 110.856 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.4 t80 . . . . . 0 CA--C 1.534 0.338 0 C-N-CA 124.523 1.129 . . . . 0.0 112.498 177.107 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 N--CA 1.471 0.59 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.74 -32.79 8.6 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.987 0.803 . . . . 0.0 112.774 165.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 m -56.62 -48.31 77.75 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.67 1.588 . . . . 0.0 111.987 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.13 84.76 Favored 'General case' 0 C--N 1.341 0.22 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.3 m . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -170.253 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.6 p . . . . . 0 N--CA 1.468 0.468 0 CA-C-O 121.078 0.466 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.7 t -114.0 159.26 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.647 1.579 . . . . 0.0 107.398 170.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 m -148.89 150.46 33.0 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 119.522 -1.986 . . . . 0.0 109.901 165.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.455 HG12 HD12 ' A' ' 41' ' ' LEU . 46.6 mm -111.93 130.11 66.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 125.196 1.398 . . . . 0.0 109.199 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.16 -45.95 6.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.613 1.965 . . . . 0.0 111.161 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -143.67 116.11 8.57 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.488 1.915 . . . . 0.0 109.324 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.96 76.39 0.64 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.574 1.15 . . . . 0.0 112.648 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.26 58.66 0.42 Allowed Glycine 0 CA--C 1.533 1.17 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 156.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 98' ' ' SER . 31.8 t70 -111.84 -120.12 0.29 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.294 2.638 . . . . 0.0 108.599 -169.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.506 ' H ' ' CG ' ' A' ' 97' ' ' ASP . 2.0 t -108.37 -80.77 0.57 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 130.473 3.509 . . . . 0.0 105.218 139.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.47 -14.77 12.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 130.125 3.37 . . . . 0.0 118.832 -169.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.425 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 11.4 tt -38.63 -59.38 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -139.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 101' ' ' LEU 0.352 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.562 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -171.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.462 0.153 0 CA-C-O 119.157 -0.449 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -49.15 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.122 0.969 . . . . 0.0 108.965 173.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -64.68 -50.74 65.83 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.865 1.266 . . . . 0.0 111.86 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -57.27 -52.62 64.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.944 0.898 . . . . 0.0 111.295 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 50.8 tttp -65.6 -33.73 76.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.018 0.927 . . . . 0.0 112.229 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.68 -43.95 71.48 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.825 1.25 . . . . 0.0 111.373 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.74 98.31 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.661 1.118 . . . . 0.0 111.592 172.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tt -53.71 -42.98 68.62 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.257 1.023 . . . . 0.0 111.518 171.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 t -63.63 -53.3 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.223 1.409 . . . . 0.0 112.809 171.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.0 mt -54.9 -19.85 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.648 1.979 . . . . 0.0 113.613 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -48.02 -37.62 15.26 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.816 1.646 . . . . 0.0 113.771 165.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.6 p -150.8 -12.06 0.23 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.43 160.45 45.71 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 119.861 1.209 . . . . 0.0 112.765 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HB2' ' H ' ' A' ' 94' ' ' GLU . 3.9 mmmm -82.6 110.43 17.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.602 1.161 . . . . 0.0 111.987 -175.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -119.5 175.81 5.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.546 1.539 . . . . 0.0 113.179 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -148.2 147.39 29.36 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.45 1.9 . . . . 0.0 110.487 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.423 HD23 HG13 ' A' ' 90' ' ' VAL . 74.0 mt -132.42 126.42 33.07 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.046 1.339 . . . . 0.0 113.684 -166.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.51 149.46 16.49 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.898 1.237 . . . . 0.0 113.038 175.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CE2' HD21 ' A' ' 56' ' ' LEU . 36.9 t80 -48.87 -55.68 10.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.447 1.499 . . . . 0.0 112.726 -164.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -39.74 -58.58 1.31 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.659 1.983 . . . . 0.0 112.352 170.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -65.96 -53.42 39.3 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.449 1.9 . . . . 0.0 110.775 -170.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -56.44 -58.68 6.97 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 116.84 -1.552 . . . . 0.0 109.528 173.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.44 HG21 ' CE1' ' A' ' 27' ' ' TYR . 71.3 t -49.9 -48.41 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 121.861 2.119 . . . . 0.0 113.097 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -55.16 -51.7 65.65 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.91 0.777 . . . . 0.0 111.916 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 m -60.56 -42.39 96.48 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.854 1.662 . . . . 0.0 113.032 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -71.19 -39.49 71.77 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.613 1.165 . . . . 0.0 111.507 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -73.64 -37.49 65.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 118.368 -0.825 . . . . 0.0 112.409 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -106.12 -13.45 15.44 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -174.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.35 175.08 20.07 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 120.473 1.488 . . . . 0.0 115.52 -168.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.93 53.34 1.38 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.378 1.871 . . . . 0.0 113.23 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.3 p -56.18 131.16 47.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.738 1.215 . . . . 0.0 113.251 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -113.86 -34.27 5.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -144.58 135.08 24.56 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.238 1.415 . . . . 0.0 109.652 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.0 pt -113.7 131.26 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.705 0.802 . . . . 0.0 111.266 170.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.2 mm -96.21 127.24 48.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 125.75 1.62 . . . . 0.0 107.746 170.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.2 mt -123.82 90.02 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 170.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.46 61.99 0.64 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.725 1.61 . . . . 0.0 110.881 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.22 165.38 27.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.248 1.019 . . . . 0.0 110.984 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.2 53.84 0.84 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.618 1.167 . . . . 0.0 110.747 170.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -70.12 117.98 59.45 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 126.255 1.822 . . . . 0.0 113.474 -162.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.77 149.19 51.64 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.242 2.628 . . . . 0.0 113.122 171.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.6 t -53.63 -51.0 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.065 1.346 . . . . 0.0 112.747 -172.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.96 -21.19 66.8 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -43.84 10.22 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.229 -0.92 . . . . 0.0 110.041 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -50.45 73.35 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 118.699 -0.667 . . . . 0.0 109.444 170.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 m -72.66 -21.44 61.08 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -65.99 -42.29 89.96 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 121.562 1.983 . . . . 0.0 112.318 163.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 27' ' ' TYR . 8.3 mt -63.11 -41.78 99.43 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.795 -1.19 . . . . 0.0 113.255 174.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -56.79 -43.08 80.55 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 127.029 2.132 . . . . 0.0 111.281 171.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -57.97 -51.09 71.08 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.446 1.099 . . . . 0.0 111.39 170.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -63.45 -35.02 79.06 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.365 -0.834 . . . . 0.0 113.157 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.31 99.11 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.496 1.043 . . . . 0.0 113.21 167.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -60.23 -22.72 63.37 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.365 1.866 . . . . 0.0 113.202 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.1 mt -63.39 82.63 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 122.568 1.175 . . . . 0.0 109.404 158.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.8 p -61.23 23.82 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 130.81 3.644 . . . . 0.0 119.608 -136.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -65.47 -19.73 66.06 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.823 1.649 . . . . 0.0 112.627 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.8 m -133.69 160.16 38.38 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.194 -0.941 . . . . 0.0 112.897 -146.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.62 163.7 22.86 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.629 1.172 . . . . 0.0 111.49 169.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.5 t -117.55 137.87 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.817 1.647 . . . . 0.0 111.022 -172.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -132.35 100.76 5.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.906 1.282 . . . . 0.0 111.022 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -79.13 116.14 19.23 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.494 1.518 . . . . 0.0 110.831 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.469 0.494 0 C-N-CA 124.875 1.27 . . . . 0.0 111.277 -164.834 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 CA--C 1.537 0.449 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.82 -16.85 53.08 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-O 119.038 -0.868 . . . . 0.0 114.441 164.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -80.12 -18.1 50.76 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.622 1.711 . . . . 0.0 111.438 168.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.13 -45.83 8.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.747 1.219 . . . . 0.0 113.317 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.478 0.95 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -169.588 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 C--O 1.235 0.291 0 CA-C-O 121.748 0.785 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.423 HG13 HD23 ' A' ' 25' ' ' LEU . 85.0 t -137.47 159.79 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 125.58 1.552 . . . . 0.0 107.972 -174.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.8 m -149.79 156.1 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 119.361 -2.087 . . . . 0.0 110.531 171.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.8 mm -123.61 138.35 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.066 1.746 . . . . 0.0 109.011 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.23 -67.4 0.99 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.393 1.477 . . . . 0.0 110.266 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.4 ' H ' ' HB2' ' A' ' 22' ' ' LYS . 14.6 mp0 -114.79 92.76 4.05 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.475 1.51 . . . . 0.0 109.06 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.4 52.62 0.19 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.808 1.243 . . . . 0.0 112.385 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.17 41.21 0.9 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 126.251 1.881 . . . . 0.0 114.115 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -142.51 -83.42 0.18 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.811 1.644 . . . . 0.0 109.353 -173.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 t -108.8 152.33 25.02 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 123.379 1.561 . . . . 0.0 112.06 161.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -52.0 3.86 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.836 1 C-N-CA 136.354 5.862 . . . . 0.0 117.719 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.438 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 16.2 tt -46.84 -43.83 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -158.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.305 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.325 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -170.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.466 0.328 0 N-CA-C 112.395 0.517 . . . . 0.0 112.395 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -57.47 -37.73 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -46.46 75.11 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.734 1.614 . . . . 0.0 112.167 177.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.92 -54.29 37.01 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.813 0.845 . . . . 0.0 109.979 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.6 -42.67 93.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.815 0.846 . . . . 0.0 111.475 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.14 -49.9 65.85 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.739 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -37.61 84.65 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 120.607 1.549 . . . . 0.0 112.444 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.69 -44.47 77.4 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 123.862 0.865 . . . . 0.0 111.119 169.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.7 -47.99 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.685 1.194 . . . . 0.0 112.791 174.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.417 HG23 ' CE1' ' A' ' 23' ' ' TYR . 7.3 mm -50.94 -28.74 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.716 2.006 . . . . 0.0 113.184 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -57.96 -24.5 58.25 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 p -140.76 -17.31 0.86 Allowed 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.226 1.935 . . . . 0.0 116.226 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.07 148.3 26.88 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 119.535 1.061 . . . . 0.0 113.747 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -79.0 113.36 17.07 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.221 1.008 . . . . 0.0 111.577 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.417 ' CE1' HG23 ' A' ' 18' ' ' ILE . 25.3 p90 -119.08 169.21 10.12 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -140.86 147.56 39.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 127.217 2.207 . . . . 0.0 109.725 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.0 mt -136.01 130.53 33.69 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.704 1.202 . . . . 0.0 113.993 -168.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.64 155.57 27.32 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.564 1.078 . . . . 0.0 112.933 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CE1' HD21 ' A' ' 56' ' ' LEU . 21.1 t80 -52.54 -60.62 3.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.649 1.18 . . . . 0.0 113.38 -162.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.66 -43.73 76.56 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.978 0.911 . . . . 0.0 112.543 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.52 -55.95 28.48 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.65 1.58 . . . . 0.0 111.754 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -61.71 -53.51 55.11 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 116.919 -1.515 . . . . 0.0 109.469 175.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.6 t -47.25 -49.62 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 121.83 2.105 . . . . 0.0 112.429 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -54.36 -56.14 21.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.93 0.892 . . . . 0.0 112.026 170.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -58.36 -41.75 85.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.27 1.828 . . . . 0.0 113.527 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.9 mt -73.63 -38.24 65.09 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.478 1.511 . . . . 0.0 111.44 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -68.31 -23.04 64.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.601 0.637 . . . . 0.0 112.446 172.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.9 3.33 8.4 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.823 1.249 . . . . 0.0 113.822 162.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.6 -40.97 2.48 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.778 1.656 . . . . 0.0 116.343 158.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.18 7.68 4.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -168.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.4 p -65.67 159.66 24.45 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.204 1.365 . . . . 0.0 112.187 174.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -134.42 -21.53 1.78 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' A' ' 43' ' ' ILE . 2.1 tm? -142.43 132.61 24.69 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.261 1.024 . . . . 0.0 110.832 173.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.714 HG23 HG21 ' A' ' 65' ' ' THR . 16.8 pt -113.77 138.56 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.733 1.213 . . . . 0.0 111.228 163.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.48 ' CD1' HD11 ' A' ' 41' ' ' LEU . 31.8 mm -112.2 119.6 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.017 1.327 . . . . 0.0 108.184 169.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.6 mt -100.87 110.41 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 171.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.12 59.48 0.94 Allowed 'General case' 0 C--N 1.344 0.334 0 C-N-CA 125.796 1.638 . . . . 0.0 111.923 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.7 150.83 37.98 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 126.053 1.741 . . . . 0.0 109.256 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -68.85 77.45 0.31 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.289 1.436 . . . . 0.0 109.323 174.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 84.0 m -97.68 118.13 64.49 Favored Pre-proline 0 N--CA 1.47 0.565 0 C-N-CA 125.119 1.367 . . . . 0.0 111.153 -154.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.83 146.37 36.28 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.114 2.543 . . . . 0.0 113.036 173.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.67 -46.42 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.281 1.032 . . . . 0.0 111.908 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.87 -48.98 76.88 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.1 0.56 . . . . 0.0 111.524 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -49.13 77.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.389 1.876 . . . . 0.0 110.737 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -61.6 -44.51 96.86 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.334 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 p -57.88 -34.99 70.37 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.541 0.736 . . . . 0.0 112.712 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.88 -46.6 71.2 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.307 0.958 . . . . 0.0 111.192 174.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' A' ' 27' ' ' TYR . 4.1 mt -60.64 -41.12 94.31 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.512 -0.743 . . . . 0.0 112.854 175.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.89 -39.46 94.55 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.116 2.566 . . . . 0.0 111.502 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -61.82 -47.44 85.07 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.312 1.445 . . . . 0.0 111.708 169.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -65.69 -37.45 86.5 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.051 -1.03 . . . . 0.0 112.85 174.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.97 -36.78 70.74 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 170.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.9 ttp -76.82 -34.74 57.89 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.728 2.011 . . . . 0.0 114.078 175.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.22 -52.64 25.74 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.938 1.295 . . . . 0.0 111.557 173.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.5 p -61.15 -173.07 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.125 0.97 . . . . 0.0 110.437 156.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -120.9 62.83 0.87 Allowed 'General case' 0 N--CA 1.479 1.022 0 O-C-N 119.372 -2.08 . . . . 0.0 110.094 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.714 HG21 HG23 ' A' ' 42' ' ' ILE . 93.4 m -114.42 135.62 53.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.644 -159.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -78.27 128.37 33.62 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.46 130.66 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 167.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -127.13 144.21 51.09 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.789 0.836 . . . . 0.0 110.765 170.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -115.3 108.11 16.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.979 1.312 . . . . 0.0 109.304 -177.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.221 -0.425 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 pt? . . . . . 0 CA--C 1.54 0.589 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.9 -41.2 20.54 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-N 120.488 1.495 . . . . 0.0 110.836 157.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.1 m -47.41 -38.18 12.83 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.711 2.405 . . . . 0.0 114.563 166.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.31 -51.98 13.59 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.632 1.105 . . . . 0.0 111.529 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -159.176 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.467 0.392 0 CA-C-O 121.37 0.605 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.1 t -113.2 153.64 14.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 126.943 2.097 . . . . 0.0 107.604 172.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.415 ' OG ' HG22 ' A' ' 42' ' ' ILE . 4.8 m -144.89 154.05 42.21 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 120.14 -1.6 . . . . 0.0 110.592 159.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 mm -124.43 137.49 57.08 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 125.155 1.382 . . . . 0.0 109.315 -177.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.86 -50.15 2.7 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.015 1.726 . . . . 0.0 112.291 -169.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.42 93.83 2.94 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.961 1.305 . . . . 0.0 110.2 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.09 84.23 1.8 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.033 -0.417 . . . . 0.0 109.941 164.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.24 39.93 0.46 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.429 1.014 . . . . 0.0 112.606 166.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -153.86 -148.42 0.25 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.005 2.122 . . . . 0.0 108.793 -156.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -56.78 147.66 22.52 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 124.301 2.0 . . . . 0.0 111.548 166.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -51.87 4.22 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.651 1 C-N-CA 135.494 5.518 . . . . 0.0 117.574 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.5 tt -49.65 -47.79 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 120.549 1.522 . . . . 0.0 113.625 -163.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 117.568 -1.206 . . . . 0.0 113.519 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -43.19 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 120.405 1.457 . . . . 0.0 110.591 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -54.26 -57.05 12.66 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.2 1.0 . . . . 0.0 111.312 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -54.75 -55.74 26.71 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.6 1.96 . . . . 0.0 111.431 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -63.18 -36.47 83.72 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.4 1.48 . . . . 0.0 111.982 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.66 -38.28 83.58 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.718 0.69 . . . . 0.0 111.614 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.65 83.0 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.188 0.904 . . . . 0.0 112.458 169.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.33 -40.29 64.75 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.04 1.336 . . . . 0.0 110.903 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 t -62.59 -63.57 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.909 1.684 . . . . 0.0 111.967 166.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.8 mt -56.46 -17.86 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.944 1.697 . . . . 0.0 114.648 -174.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -47.06 -36.9 8.66 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.262 1.825 . . . . 0.0 113.608 161.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -149.46 -12.24 0.3 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 -168.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.63 167.17 20.89 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.848 1.689 . . . . 0.0 113.352 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -99.79 118.45 36.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.946 1.299 . . . . 0.0 111.503 -169.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -128.84 170.09 13.79 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.326 1.45 . . . . 0.0 114.268 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.6 t -139.83 161.91 36.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.781 2.432 . . . . 0.0 110.11 169.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.28 151.62 40.73 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.182 1.793 . . . . 0.0 112.444 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.63 157.35 26.79 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.152 1.358 . . . . 0.0 112.52 174.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.497 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 66.4 t80 -67.0 -77.05 0.07 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.132 1.466 . . . . 0.0 114.461 -165.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -66.92 -19.89 65.81 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.54 -1.35 . . . . 0.0 111.948 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 t -57.28 -59.95 4.35 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 128.439 2.696 . . . . 0.0 113.151 163.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.255 14.7 t -63.54 -40.5 97.18 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-O 117.395 -1.288 . . . . 0.0 110.908 173.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 59' ' ' TYR . 54.1 t -48.71 -55.52 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 121.818 2.099 . . . . 0.0 112.179 172.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -55.85 -45.46 78.43 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.84 1.656 . . . . 0.0 111.862 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 m -57.74 -56.74 18.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.212 1.405 . . . . 0.0 111.692 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.19 -35.31 78.46 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 127.105 2.162 . . . . 0.0 112.087 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -64.66 -33.25 75.5 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.137 0.975 . . . . 0.0 113.046 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -105.46 -15.21 15.07 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.99 156.14 26.83 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 120.485 1.493 . . . . 0.0 115.254 -171.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 91.93 1.24 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.373 1.869 . . . . 0.0 111.425 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -71.35 169.36 15.44 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.686 -0.634 . . . . 0.0 111.754 156.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -136.46 -14.23 1.72 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 157.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.431 HD11 HD11 ' A' ' 43' ' ' ILE . 1.2 tm? -141.29 131.97 25.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.281 1.032 . . . . 0.0 110.222 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 pt -112.45 146.83 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.857 1.263 . . . . 0.0 111.05 165.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.525 HG21 HD22 ' A' ' 77' ' ' LEU . 18.1 mm -122.59 136.73 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.37 1.068 . . . . 0.0 109.348 170.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.19 96.28 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 124.294 1.038 . . . . 0.0 109.315 169.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -110.31 50.53 0.8 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.141 1.777 . . . . 0.0 109.529 159.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.69 138.75 52.9 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.803 1.641 . . . . 0.0 107.162 162.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -63.51 83.12 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.379 1.472 . . . . 0.0 111.331 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 95.1 m -106.58 108.47 61.92 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 126.531 1.932 . . . . 0.0 111.568 -159.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.49 168.3 22.92 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.746 2.297 . . . . 0.0 113.193 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -52.33 -52.21 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.359 1.463 . . . . 0.0 113.789 -165.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.76 -32.24 73.67 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.882 1.219 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.497 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -71.78 -45.92 60.01 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 126.143 1.777 . . . . 0.0 110.712 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -65.53 -42.15 92.3 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.064 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -55.69 -42.76 75.67 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 124.459 1.104 . . . . 0.0 111.545 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.11 -56.62 17.83 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.482 1.037 . . . . 0.0 111.195 169.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.84 -44.54 86.55 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.283 0.947 . . . . 0.0 113.066 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -62.92 -35.75 81.1 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.56 2.344 . . . . 0.0 111.694 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -62.98 -49.0 76.4 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.719 1.208 . . . . 0.0 111.459 169.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.548 ' CE2' HG13 ' A' ' 31' ' ' VAL . 29.1 m-85 -66.0 -35.96 81.99 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.422 -0.799 . . . . 0.0 112.389 177.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.26 81.02 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.952 0.796 . . . . 0.0 112.352 167.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -57.68 -43.32 85.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.951 1.301 . . . . 0.0 112.56 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -61.05 2.78 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.967 0.803 . . . . 0.0 111.224 173.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.4 p -75.4 42.33 0.21 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.453 2.301 . . . . 0.0 114.186 -173.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.411 ' H ' ' HD2' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -31.87 98.12 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.854 1.261 . . . . 0.0 112.82 -134.235 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -132.46 146.02 51.62 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 128.162 2.585 . . . . 0.0 110.237 -162.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -78.94 146.92 33.22 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.483 1.513 . . . . 0.0 110.614 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.3 t -117.5 144.85 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.824 1.25 . . . . 0.0 110.372 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -140.34 152.75 46.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.902 0.881 . . . . 0.0 112.277 170.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -126.72 85.75 2.42 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.406 1.482 . . . . 0.0 110.509 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.711 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER . . . . . 0 CA--C 1.544 0.738 0 CA-C-O 122.963 1.363 . . . . 0.0 108.52 177.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 43' ' ' ILE . 42.8 tp . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.27 -28.89 4.73 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.355 0.979 . . . . 0.0 112.955 165.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -58.17 -39.12 78.05 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.213 1.805 . . . . 0.0 113.215 171.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.16 -18.74 55.17 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.472 0.629 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.133 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.235 0.337 0 CA-C-O 121.54 0.686 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 t -132.0 155.59 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.791 1.637 . . . . 0.0 109.058 -166.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.4 m -147.82 148.87 31.37 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 120.374 -1.454 . . . . 0.0 110.898 163.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.1 mm -125.53 133.27 69.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 126.083 1.753 . . . . 0.0 109.442 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.48 -56.11 2.27 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.05 2.14 . . . . 0.0 111.446 -171.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -131.57 111.71 11.98 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.484 1.514 . . . . 0.0 108.471 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.78 -29.19 19.96 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -173.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.22 -5.61 0.3 Allowed Glycine 0 CA--C 1.539 1.589 0 N-CA-C 120.918 3.127 . . . . 0.0 120.918 -113.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -112.64 84.24 1.95 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.71 1.755 . . . . 0.0 108.645 169.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -105.41 -178.18 3.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 129.545 3.138 . . . . 0.0 114.042 8.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -53.52 23.13 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.078 1 C-N-CA 134.396 5.078 . . . . 0.0 117.866 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 tt -62.53 -21.62 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 121.097 1.771 . . . . 0.0 114.441 -166.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.32 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.452 0 C-N-CA 127.015 2.126 . . . . 0.0 115.886 169.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.234 0.267 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -47.49 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 118.931 0.787 . . . . 0.0 111.145 177.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -59.56 -51.62 69.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.086 0.857 . . . . 0.0 111.475 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -57.65 -54.74 43.45 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.401 177.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -63.2 -38.93 93.1 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.008 0.822 . . . . 0.0 112.457 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.7 -40.41 88.47 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.822 -0.609 . . . . 0.0 111.858 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.01 93.03 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.875 1.216 . . . . 0.0 112.504 171.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 98' ' ' SER . 1.2 tt -56.38 -42.8 78.49 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.996 1.319 . . . . 0.0 109.799 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 t -59.92 -57.89 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.64 1.176 . . . . 0.0 112.451 168.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.5 mt -52.78 -28.51 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.595 1.158 . . . . 0.0 113.262 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -48.67 -37.11 17.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.265 1.426 . . . . 0.0 114.162 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -149.6 -2.86 0.42 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.18 -166.6 29.18 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.359 1.457 . . . . 0.0 112.344 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.39 122.59 26.58 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.329 -1.101 . . . . 0.0 111.802 -177.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -129.94 173.71 10.44 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.532 2.333 . . . . 0.0 112.234 -172.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.4 t -146.1 146.9 31.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.977 1.711 . . . . 0.0 110.337 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -135.71 134.04 38.69 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.148 1.379 . . . . 0.0 113.54 -170.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.5 145.75 11.51 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 123.98 0.8 . . . . 0.0 111.895 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 32.7 t80 -51.76 -51.9 52.79 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.798 1.239 . . . . 0.0 113.295 -165.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -39.67 -58.92 1.23 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.933 2.093 . . . . 0.0 112.04 168.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -66.08 -52.09 52.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 126.581 1.952 . . . . 0.0 110.835 -170.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.262 6.6 t -56.68 -58.17 9.22 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 116.718 -1.611 . . . . 0.0 109.86 173.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.5 t -47.98 -50.25 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 121.734 2.061 . . . . 0.0 112.893 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -56.17 -47.9 77.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.118 0.967 . . . . 0.0 112.646 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 m -65.53 -41.25 93.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.431 1.492 . . . . 0.0 112.73 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.4 mt -71.64 -38.28 70.75 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.296 1.039 . . . . 0.0 111.317 177.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -61.21 -27.47 68.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.679 0.792 . . . . 0.0 112.757 169.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -78.57 5.45 10.88 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 166.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.95 -19.99 1.99 Allowed Glycine 0 CA--C 1.534 1.281 0 N-CA-C 117.258 1.663 . . . . 0.0 117.258 159.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -88.74 -0.74 57.6 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.497 1.665 . . . . 0.0 115.497 -166.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.1 p -59.43 165.51 2.77 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.229 -0.92 . . . . 0.0 113.001 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -138.59 -18.47 1.09 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 164.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.561 HD11 HD11 ' A' ' 43' ' ' ILE . 1.1 tm? -139.38 129.51 25.19 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.936 0.789 . . . . 0.0 109.799 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 65' ' ' THR . 16.9 pt -113.66 141.36 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.25 1.02 . . . . 0.0 111.575 168.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 41' ' ' LEU . 21.6 mm -115.95 138.94 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.784 1.234 . . . . 0.0 108.866 172.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.92 91.47 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.23 46.82 0.91 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.675 1.99 . . . . 0.0 110.265 168.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.62 151.53 39.15 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.218 1.807 . . . . 0.0 109.992 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -66.71 75.33 0.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.273 2.229 . . . . 0.0 112.943 -173.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.7 m -107.73 99.93 32.34 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.842 1.657 . . . . 0.0 111.674 -162.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -72.68 171.25 17.65 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.065 2.51 . . . . 0.0 113.195 -175.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.7 t -50.05 -48.97 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.138 1.775 . . . . 0.0 114.164 -166.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.01 -44.26 85.28 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.032 0.833 . . . . 0.0 111.087 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -63.45 -46.88 84.23 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.615 1.966 . . . . 0.0 110.819 -178.124 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -47.53 83.39 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.046 0.538 . . . . 0.0 109.623 175.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.1 m -60.95 -34.38 74.66 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.603 0.761 . . . . 0.0 112.225 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -64.47 -48.69 74.31 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.066 0.848 . . . . 0.0 111.835 172.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.098 0.863 . . . . 0.0 112.497 175.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -59.94 -43.69 94.84 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.393 1.877 . . . . 0.0 111.532 174.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -59.6 -48.29 82.25 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.848 1.259 . . . . 0.0 111.544 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -64.15 -43.12 96.19 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 118.35 -0.833 . . . . 0.0 112.48 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.28 -41.9 72.87 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.485 1.039 . . . . 0.0 112.846 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.0 ttp -61.99 -38.57 89.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.961 1.304 . . . . 0.0 112.317 172.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.91 -61.11 2.36 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.186 0.903 . . . . 0.0 111.288 170.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.8 p -78.49 46.59 0.65 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.167 1.787 . . . . 0.0 113.584 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' H ' ' HD2' ' A' ' 64' ' ' LYS . 1.2 mptp? -32.52 98.7 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.123 1.369 . . . . 0.0 112.978 -137.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.627 HG21 HG23 ' A' ' 42' ' ' ILE . 1.8 m -133.09 144.24 49.85 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 128.352 2.661 . . . . 0.0 110.12 -161.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -79.04 144.76 34.33 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 122.079 -0.388 . . . . 0.0 110.976 176.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.67 135.6 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.637 1.575 . . . . 0.0 110.225 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -132.11 98.67 4.49 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.054 0.941 . . . . 0.0 111.586 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -78.78 74.88 5.3 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.232 1.413 . . . . 0.0 111.414 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 . . . . . 0 CA--C 1.541 0.597 0 C-N-CA 126.369 1.868 . . . . 0.0 111.288 -179.293 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 tp . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.39 -15.65 32.28 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.118 -0.989 . . . . 0.0 113.935 169.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 m -61.36 -47.35 86.28 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.493 1.117 . . . . 0.0 110.24 167.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.35 -57.63 5.62 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.93 0.892 . . . . 0.0 111.007 168.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.287 17.6 m . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -163.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.237 0.403 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.7 t -130.81 156.52 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.702 1.601 . . . . 0.0 108.895 -168.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -144.97 156.1 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 120.301 -1.5 . . . . 0.0 110.86 158.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.6 mm -122.79 131.76 72.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 125.995 1.718 . . . . 0.0 108.989 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.95 -55.28 2.42 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 127.168 2.187 . . . . 0.0 110.517 -173.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -120.35 102.67 8.63 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.346 1.058 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.0 56.42 1.22 Allowed 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.466 -0.772 . . . . 0.0 112.467 173.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.81 24.42 0.66 Allowed Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.121 1.343 . . . . 0.0 115.853 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -145.63 -77.37 0.2 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.345 1.573 . . . . 0.0 110.999 -172.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.401 ' HB2' HD22 ' A' ' 16' ' ' LEU . 17.9 t -108.2 162.81 13.73 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.031 1.332 . . . . 0.0 111.74 165.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -83.68 18.06 2.06 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 -157.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 tt -44.1 -52.17 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -160.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 p . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.6 -50.89 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.995 167.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.61 -55.23 31.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.905 0.882 . . . . 0.0 112.355 -168.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -66.46 -42.84 86.94 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.387 0.675 . . . . 0.0 111.999 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -64.14 -44.18 92.96 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.641 0.655 . . . . 0.0 111.276 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.92 -36.97 78.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.69 1.196 . . . . 0.0 111.98 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -45.3 87.84 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.522 1.055 . . . . 0.0 112.391 170.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.95 -40.74 73.65 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.374 1.07 . . . . 0.0 110.779 172.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -60.01 -60.31 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.577 0.751 . . . . 0.0 111.836 168.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mt -52.65 -29.04 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.609 1.564 . . . . 0.0 113.775 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -18.31 4.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.067 1.347 . . . . 0.0 114.355 171.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 p -149.77 -15.16 0.27 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 117.276 2.325 . . . . 0.0 117.276 160.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.53 158.6 43.57 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.991 1.281 . . . . 0.0 113.267 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.05 122.01 26.23 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.52 1.128 . . . . 0.0 111.086 -171.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -127.92 172.59 10.75 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.617 1.167 . . . . 0.0 113.756 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -142.81 149.91 39.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.328 1.851 . . . . 0.0 111.021 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.67 126.92 33.71 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.293 1.837 . . . . 0.0 112.493 -170.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.61 151.57 28.42 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.421 1.01 . . . . 0.0 112.591 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 36.6 t80 -55.26 -55.25 33.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.887 0.875 . . . . 0.0 113.253 -163.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.82 -42.91 80.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.694 0.798 . . . . 0.0 111.951 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -61.06 -49.48 77.17 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 126.573 1.949 . . . . 0.0 112.608 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.293 9.0 t -60.61 -63.63 1.23 Allowed 'General case' 0 C--N 1.345 0.371 0 CA-C-O 116.274 -1.822 . . . . 0.0 109.334 169.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.2 t -43.35 -50.57 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 121.602 2.001 . . . . 0.0 113.304 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -56.73 12.45 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.008 1.323 . . . . 0.0 111.378 172.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 m -64.41 -33.58 76.18 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.847 1.259 . . . . 0.0 113.522 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.7 mt -71.1 -41.75 70.19 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.652 0.781 . . . . 0.0 110.669 173.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -62.79 -28.53 70.06 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.262 1.025 . . . . 0.0 113.1 171.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -72.24 -6.05 40.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 165.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.46 -1.57 35.12 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.302 1.43 . . . . 0.0 115.486 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -87.31 -7.6 57.63 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.182 1.393 . . . . 0.0 114.359 -164.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -68.49 163.3 23.72 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.16 0.984 . . . . 0.0 112.926 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -138.93 -12.58 1.25 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.69 1.366 . . . . 0.0 114.69 161.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -140.28 134.87 31.63 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.35 1.46 . . . . 0.0 108.992 171.388 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.526 HG23 HG21 ' A' ' 65' ' ' THR . 17.8 pt -116.35 149.55 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.986 0.915 . . . . 0.0 111.762 167.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.574 HG21 HD22 ' A' ' 77' ' ' LEU . 37.9 mm -124.25 136.42 60.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 125.885 1.674 . . . . 0.0 109.85 178.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.38 96.92 4.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 123.06 0.544 . . . . 0.0 109.713 168.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.95 50.06 1.06 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.981 2.912 . . . . 0.0 110.722 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.06 168.96 18.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.478 1.511 . . . . 0.0 110.832 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -66.62 21.22 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.67 1.988 . . . . 0.0 114.841 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.3 m -60.02 114.22 9.25 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 129.441 3.096 . . . . 0.0 112.907 -172.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -59.97 167.71 6.85 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.985 3.79 . . . . 0.0 115.201 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.07 -43.95 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.878 1.271 . . . . 0.0 113.172 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.96 -39.97 83.27 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.958 -1.089 . . . . 0.0 111.034 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -64.08 -47.96 78.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.66 1.984 . . . . 0.0 111.227 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -42.67 99.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.858 171.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.0 m -58.09 -37.54 74.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.242 0.617 . . . . 0.0 112.174 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -65.25 -46.71 79.43 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.103 0.865 . . . . 0.0 112.062 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.14 -44.86 92.08 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.174 0.897 . . . . 0.0 112.794 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -60.03 -39.9 87.47 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 127.671 2.389 . . . . 0.0 111.549 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -61.26 -49.77 75.75 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.724 1.21 . . . . 0.0 111.861 169.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -63.28 -36.88 85.13 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.115 -0.991 . . . . 0.0 112.778 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.51 -44.09 96.4 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.14 0.882 . . . . 0.0 112.43 170.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -58.43 -43.95 88.92 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.738 1.215 . . . . 0.0 112.191 171.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.41 -61.49 2.5 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.905 0.775 . . . . 0.0 111.406 173.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.8 p -76.3 43.5 0.3 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 128.155 2.582 . . . . 0.0 114.159 -173.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -32.22 99.39 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.758 1.223 . . . . 0.0 112.68 -136.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.526 HG21 HG23 ' A' ' 42' ' ' ILE . 1.7 m -133.85 143.22 48.19 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 128.518 2.727 . . . . 0.0 109.659 -162.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -79.35 118.26 21.09 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.565 0.746 . . . . 0.0 110.753 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.94 131.74 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 123.286 0.634 . . . . 0.0 110.249 170.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -129.22 123.89 33.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.028 0.918 . . . . 0.0 112.315 168.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -87.51 109.12 19.38 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 124.628 1.171 . . . . 0.0 110.886 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.546 0.814 0 C-N-CA 126.989 2.115 . . . . 0.0 108.703 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.574 HD22 HG21 ' A' ' 43' ' ' ILE . 50.0 tp . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.78 -28.16 6.9 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.313 0.959 . . . . 0.0 113.457 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 m -54.68 -39.59 68.25 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.268 1.827 . . . . 0.0 112.584 171.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.85 -21.43 44.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.033 1.333 . . . . 0.0 114.319 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -167.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.7 t -135.74 159.24 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.164 1.386 . . . . 0.0 108.387 -166.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.0 m -149.08 155.79 41.25 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 119.699 -1.876 . . . . 0.0 110.894 166.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mm -120.82 136.33 58.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 125.819 1.648 . . . . 0.0 109.002 -178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.69 -105.11 0.34 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.894 2.078 . . . . 0.0 107.882 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.91 94.63 4.6 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.943 -1.098 . . . . 0.0 110.577 170.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.38 65.15 0.42 Allowed 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.564 -0.71 . . . . 0.0 111.59 165.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.65 39.2 0.75 Allowed Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.408 1.48 . . . . 0.0 114.179 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -144.02 -81.02 0.18 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.019 1.328 . . . . 0.0 110.478 -169.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 t -108.28 152.77 24.17 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.643 1.687 . . . . 0.0 111.702 161.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -52.22 3.41 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.902 1 C-N-CA 136.039 5.736 . . . . 0.0 117.866 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.6 tt -48.12 -50.58 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.961 1.255 . . . . 0.0 114.078 -161.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.436 ' H ' ' HG ' ' A' ' 101' ' ' LEU 0.355 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 117.141 2.275 . . . . 0.0 117.141 179.323 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 119.57 -0.252 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -51.15 76.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.325 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.399 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -53.82 -57.2 11.79 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.613 1.097 . . . . 0.0 111.906 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -56.7 -57.4 12.58 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.976 0.91 . . . . 0.0 110.932 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -66.5 -34.12 77.21 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-O 118.877 -0.583 . . . . 0.0 112.172 -175.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -71.64 -41.49 68.74 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.147 0.885 . . . . 0.0 111.662 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.42 94.47 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.34 0.973 . . . . 0.0 111.975 171.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tt -55.47 -39.53 70.5 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.25 1.02 . . . . 0.0 111.15 172.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -63.84 -57.08 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 119.115 0.87 . . . . 0.0 112.975 167.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 mt -57.21 -17.84 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.706 1.602 . . . . 0.0 113.788 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -47.69 -34.94 8.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.727 1.611 . . . . 0.0 113.354 164.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.6 p -149.35 -14.89 0.29 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 172.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.8 169.49 54.24 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.937 1.256 . . . . 0.0 113.201 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.03 129.95 46.14 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.441 -1.035 . . . . 0.0 112.811 -171.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -133.82 166.88 21.62 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.775 1.63 . . . . 0.0 113.248 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 t -140.67 149.62 42.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.953 2.101 . . . . 0.0 110.107 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -140.21 135.11 32.05 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.849 1.26 . . . . 0.0 114.154 -166.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.59 149.71 26.04 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.551 1.072 . . . . 0.0 111.876 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -54.36 -65.52 0.56 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -161.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -20.06 60.82 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.281 -0.887 . . . . 0.0 111.968 -178.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -59.37 -52.98 63.28 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.854 1.261 . . . . 0.0 111.677 169.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.285 4.9 t -61.48 -53.1 60.91 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 116.222 -1.847 . . . . 0.0 109.647 172.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 59' ' ' TYR . 55.5 t -43.87 -55.17 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 122.025 2.193 . . . . 0.0 113.29 176.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -49.2 -57.7 6.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.265 1.426 . . . . 0.0 111.278 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.2 m -60.11 -31.87 70.45 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.661 1.584 . . . . 0.0 114.039 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.0 mt -82.84 -34.76 26.78 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.171 1.389 . . . . 0.0 112.017 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -67.0 -25.8 66.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.935 0.894 . . . . 0.0 111.777 169.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -72.37 0.14 10.89 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.22 1.408 . . . . 0.0 113.594 162.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.76 -36.12 1.03 Allowed Glycine 0 CA--C 1.532 1.144 0 C-N-CA 127.594 2.521 . . . . 0.0 116.516 166.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -73.59 24.11 0.07 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.343 2.257 . . . . 0.0 116.331 -162.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.4 p -90.84 172.99 8.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.36 2.264 . . . . 0.0 113.399 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -138.07 -19.74 1.13 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 167.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.505 HD11 HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -148.5 141.42 24.77 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.166 1.348 . . . . 0.0 111.185 175.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 pt -115.0 140.73 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.188 1.395 . . . . 0.0 111.383 169.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.556 HG21 HD22 ' A' ' 77' ' ' LEU . 15.2 mm -112.54 138.15 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.845 0.858 . . . . 0.0 108.933 169.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mt -123.59 90.38 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.78 0.832 . . . . 0.0 109.159 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.87 85.37 2.16 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.585 1.954 . . . . 0.0 108.97 161.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -158.79 169.48 24.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.133 0.973 . . . . 0.0 111.534 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -61.05 76.95 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.426 1.89 . . . . 0.0 109.979 169.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -112.36 91.56 16.84 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -164.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -74.02 170.35 20.32 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.985 2.457 . . . . 0.0 111.532 168.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.8 t -52.02 -53.02 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.29 1.436 . . . . 0.0 112.926 -170.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.78 -40.46 92.64 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.533 0.606 . . . . 0.0 112.125 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -65.48 -52.17 54.81 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.241 1.416 . . . . 0.0 110.552 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -57.85 -48.58 79.38 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -77.39 -17.75 57.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 117.206 -1.378 . . . . 0.0 113.349 -171.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.06 -51.35 69.53 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.829 1.649 . . . . 0.0 110.023 159.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.53 -43.77 96.81 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 121.696 0.76 . . . . 0.0 112.59 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -57.67 -41.37 81.39 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.74 2.416 . . . . 0.0 111.212 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -59.37 -45.16 92.2 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.275 1.03 . . . . 0.0 111.42 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE2' HG13 ' A' ' 31' ' ' VAL . 32.2 m-85 -72.81 -31.39 64.79 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.36 -0.837 . . . . 0.0 113.256 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.31 -37.68 72.85 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.279 0.945 . . . . 0.0 112.067 167.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -75.52 -40.38 57.07 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.65 1.98 . . . . 0.0 114.146 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.19 -51.72 35.11 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.529 1.059 . . . . 0.0 111.945 176.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.4 p -62.79 -175.74 0.1 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 158.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -121.9 85.16 2.36 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.025 -1.672 . . . . 0.0 108.767 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.4 m -144.35 134.6 24.33 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.993 1.317 . . . . 0.0 110.792 -153.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -78.96 154.31 29.68 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.981 1.312 . . . . 0.0 111.386 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.03 130.47 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.242 1.417 . . . . 0.0 111.198 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -126.2 107.69 10.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.684 1.194 . . . . 0.0 111.752 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -82.8 115.08 21.55 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.259 1.024 . . . . 0.0 112.652 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.555 1.145 0 C-N-CA 127.449 2.3 . . . . 0.0 111.69 -176.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 43' ' ' ILE . 16.1 tp . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.72 -37.84 14.8 Favored Glycine 0 N--CA 1.477 1.375 0 CA-C-N 120.26 1.391 . . . . 0.0 112.09 159.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 m -53.34 -37.9 62.75 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.569 2.747 . . . . 0.0 113.304 169.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.06 -46.2 8.26 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.335 1.454 . . . . 0.0 113.055 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 178.636 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.469 0.482 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.06 157.78 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.423 1.489 . . . . 0.0 109.057 -162.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 m -144.53 155.25 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 120.386 -1.446 . . . . 0.0 111.037 157.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.5 mm -119.74 139.31 47.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 C-N-CA 126.174 1.79 . . . . 0.0 108.776 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 mp -116.28 -96.15 0.47 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.94 1.696 . . . . 0.0 108.097 -173.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -77.09 92.84 3.8 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.546 1.138 . . . . 0.0 110.086 173.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.0 44.87 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.463 1.505 . . . . 0.0 112.693 163.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.51 41.14 1.36 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.996 1.76 . . . . 0.0 114.004 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -144.49 -81.69 0.17 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.219 1.407 . . . . 0.0 109.725 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.6 t -109.99 159.43 17.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.929 1.292 . . . . 0.0 111.275 160.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.55 9.64 0.24 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.801 2.44 . . . . 0.0 116.652 -166.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 tt -38.8 -63.03 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.131 1.372 . . . . 0.0 113.806 -145.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.473 HD22 ' H ' ' A' ' 101' ' ' LEU 0.262 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -172.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 p . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -48.14 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.773 0.829 . . . . 0.0 111.633 174.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -52.22 -56.53 14.1 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.007 1.323 . . . . 0.0 112.488 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.13 -40.3 94.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.479 0.712 . . . . 0.0 111.232 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 57.0 tttp -63.15 -43.35 98.58 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.117 1.367 . . . . 0.0 111.377 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.71 -37.27 82.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.141 0.976 . . . . 0.0 111.886 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -63.72 -46.3 86.01 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.254 0.934 . . . . 0.0 111.609 172.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.33 -39.6 73.06 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.492 1.117 . . . . 0.0 111.537 173.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.93 -62.45 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.489 166.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.7 mt -49.99 -32.51 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.892 1.677 . . . . 0.0 113.518 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.32 -18.06 9.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.111 1.765 . . . . 0.0 114.354 174.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 p -148.42 -21.35 0.33 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 163.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.4 158.66 32.85 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.551 1.548 . . . . 0.0 113.513 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -87.04 127.45 35.11 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.261 1.024 . . . . 0.0 112.257 -168.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -130.39 174.48 9.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.895 1.678 . . . . 0.0 113.252 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.7 t -146.78 153.88 40.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.129 1.771 . . . . 0.0 111.18 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -140.43 130.56 24.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.879 1.672 . . . . 0.0 112.835 -169.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.71 150.34 25.37 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.155 0.883 . . . . 0.0 112.64 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CE1' HD21 ' A' ' 56' ' ' LEU . 32.1 t80 -54.07 -55.84 23.69 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.223 1.009 . . . . 0.0 113.568 -164.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -55.58 -44.77 77.23 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.909 0.884 . . . . 0.0 111.735 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -60.34 -49.94 75.61 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 126.851 2.06 . . . . 0.0 112.476 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.28 8.8 t -61.19 -63.15 1.39 Allowed 'General case' 0 C--N 1.345 0.401 0 CA-C-O 116.285 -1.817 . . . . 0.0 109.595 170.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -44.0 -51.33 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 121.818 2.099 . . . . 0.0 112.967 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -48.83 -60.7 2.53 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.822 1.249 . . . . 0.0 111.255 170.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 m -62.01 -35.95 80.09 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.34 1.456 . . . . 0.0 113.671 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.22 -44.64 68.18 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.572 0.749 . . . . 0.0 110.789 174.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -65.5 -25.24 67.39 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.449 0.699 . . . . 0.0 112.572 174.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -76.3 0.59 18.81 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.342 1.457 . . . . 0.0 114.093 165.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.12 -22.43 0.96 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.369 1.938 . . . . 0.0 116.913 167.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -72.38 -4.99 33.29 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.466 1.507 . . . . 0.0 114.816 -172.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -63.48 160.62 16.02 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.32 -0.862 . . . . 0.0 112.725 170.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -138.83 -13.55 1.24 Allowed 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 163.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.428 HD11 HD11 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -144.3 141.82 30.02 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.796 1.18 . . . . 0.0 111.126 171.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 pt -119.31 144.14 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.367 1.467 . . . . 0.0 111.608 168.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.428 HD11 HD11 ' A' ' 41' ' ' LEU . 18.2 mm -116.52 136.17 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.737 1.215 . . . . 0.0 108.318 168.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mt -118.76 111.69 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 164.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -122.98 59.32 1.07 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.782 1.633 . . . . 0.0 111.654 174.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.32 169.32 21.09 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.868 1.267 . . . . 0.0 111.106 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -68.67 33.32 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.244 2.218 . . . . 0.0 114.127 175.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.0 m -68.45 111.96 9.65 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 127.924 2.49 . . . . 0.0 111.581 -170.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.32 165.4 32.56 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.599 2.2 . . . . 0.0 112.364 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.6 t -49.33 -56.27 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.731 1.612 . . . . 0.0 113.119 -167.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.81 -35.31 76.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.731 0.696 . . . . 0.0 112.525 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -71.87 -50.94 24.97 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.417 1.487 . . . . 0.0 110.639 179.311 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -58.84 -46.67 87.16 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -77.21 -16.97 58.84 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 118.016 -0.992 . . . . 0.0 113.376 -172.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.69 -46.58 78.5 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.181 1.355 . . . . 0.0 110.987 160.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.421 HD21 ' CE1' ' A' ' 27' ' ' TYR . 4.0 mt -59.32 -44.58 92.57 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.233 0.924 . . . . 0.0 112.55 174.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -58.47 -41.02 84.26 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.631 2.373 . . . . 0.0 110.889 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -62.81 -47.9 81.42 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.27 1.428 . . . . 0.0 111.801 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -63.08 -38.09 89.82 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.052 0.842 . . . . 0.0 112.514 174.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.54 76.58 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.086 0.857 . . . . 0.0 111.663 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.2 ttp -56.94 -40.0 75.57 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.172 1.389 . . . . 0.0 112.826 174.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.2 -65.67 0.64 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.304 0.956 . . . . 0.0 111.658 172.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.4 p -71.94 47.45 0.15 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.102 2.961 . . . . 0.0 114.261 -169.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -31.52 94.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.578 1.551 . . . . 0.0 112.234 -133.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -132.7 143.89 49.93 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 128.375 2.67 . . . . 0.0 109.599 -162.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -78.76 146.39 33.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.637 1.175 . . . . 0.0 110.773 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.6 t -109.43 143.37 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.813 1.245 . . . . 0.0 109.772 173.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -137.63 151.69 48.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.593 1.157 . . . . 0.0 111.407 166.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -123.22 103.67 8.68 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.637 1.575 . . . . 0.0 109.081 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.638 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 2.0 t80 . . . . . 0 CA--C 1.533 0.308 0 C-N-CA 125.13 1.372 . . . . 0.0 108.693 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.2 tp . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.64 -32.81 25.25 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.61 1.1 . . . . 0.0 113.639 163.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 m -65.43 -22.91 66.82 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.886 1.343 . . . . 0.0 112.13 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -89.07 -41.6 12.22 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -166.161 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.467 0.404 0 CA-C-O 121.587 0.708 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.0 t -132.75 155.71 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 125.962 1.705 . . . . 0.0 108.964 -167.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.9 m -147.0 155.41 42.22 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 120.27 -1.518 . . . . 0.0 111.461 161.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.1 mm -119.63 135.61 59.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 126.615 1.966 . . . . 0.0 108.906 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mp -111.13 -103.89 0.39 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.324 1.85 . . . . 0.0 108.163 -176.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -77.94 81.41 4.34 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.704 1.202 . . . . 0.0 109.697 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.7 11.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.699 2.799 . . . . 0.0 117.193 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.18 55.54 0.04 OUTLIER Glycine 0 CA--C 1.537 1.414 0 C-N-CA 128.251 2.834 . . . . 0.0 118.723 -151.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -139.97 -64.08 0.49 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.374 1.87 . . . . 0.0 109.106 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -110.17 156.09 21.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 123.206 1.479 . . . . 0.0 112.398 162.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -52.45 4.23 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 1 C-N-CA 134.18 4.992 . . . . 0.0 117.043 170.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.465 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 13.0 tt -45.9 -47.35 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 120.327 1.421 . . . . 0.0 113.677 -157.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.458 HD22 ' H ' ' A' ' 101' ' ' LEU 0.351 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.472 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -173.131 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 119.249 -0.405 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -44.59 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.697 171.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -54.05 -57.0 12.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.624 1.169 . . . . 0.0 111.934 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -56.42 -53.19 60.29 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.767 1.227 . . . . 0.0 111.357 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.13 -35.46 78.8 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 118.378 0.535 . . . . 0.0 111.984 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.49 -38.94 77.87 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.348 0.977 . . . . 0.0 112.686 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.79 89.34 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.893 1.224 . . . . 0.0 111.914 170.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.54 -34.48 64.74 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.893 1.277 . . . . 0.0 111.367 171.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.644 HG22 ' H ' ' A' ' 98' ' ' SER . 23.1 t -70.83 -51.51 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.015 1.726 . . . . 0.0 112.488 170.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.3 mt -57.18 -21.95 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.9 1.28 . . . . 0.0 113.545 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -48.41 -33.49 9.29 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.361 1.864 . . . . 0.0 114.204 162.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 p -158.03 23.9 0.26 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.375 1.47 . . . . 0.0 113.163 -154.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.86 150.69 22.88 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.759 0.695 . . . . 0.0 113.389 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -79.59 114.05 18.22 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.525 1.13 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -118.63 168.75 10.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.752 1.221 . . . . 0.0 113.968 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -144.07 160.73 40.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.401 2.28 . . . . 0.0 110.18 173.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.7 mt -144.4 145.34 31.87 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.284 1.433 . . . . 0.0 112.398 -164.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.04 160.42 21.29 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.249 1.404 . . . . 0.0 113.635 171.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.53 -80.6 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -162.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -23.33 65.92 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.095 -1.628 . . . . 0.0 112.425 -175.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.5 t -54.59 -58.63 6.73 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 128.507 2.723 . . . . 0.0 113.354 166.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -69.26 -35.52 76.19 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 116.344 -1.788 . . . . 0.0 110.789 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.6 HG13 ' CE2' ' A' ' 59' ' ' TYR . 26.8 t -52.73 -55.01 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 122.08 2.218 . . . . 0.0 110.908 173.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.53 -52.5 22.28 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.496 1.519 . . . . 0.0 110.675 170.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.3 m -65.25 -26.94 68.32 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.78 -30.88 18.68 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.038 1.735 . . . . 0.0 111.12 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -66.58 -21.2 66.14 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.464 1.105 . . . . 0.0 112.384 168.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -69.13 -2.22 9.72 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 161.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.04 -39.24 1.81 Allowed Glycine 0 CA--C 1.531 1.081 0 C-N-CA 126.516 2.007 . . . . 0.0 116.162 163.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -72.0 17.89 0.09 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -167.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -83.6 167.09 17.63 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.649 1.18 . . . . 0.0 113.721 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 -22.8 0.91 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.48 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -146.13 128.41 15.8 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 120.224 1.374 . . . . 0.0 111.474 176.389 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.502 HG23 HG21 ' A' ' 65' ' ' THR . 15.5 pt -111.58 141.33 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.24 1.416 . . . . 0.0 111.923 167.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.48 HD11 HD11 ' A' ' 41' ' ' LEU . 40.2 mm -118.17 124.57 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 127.748 2.419 . . . . 0.0 108.435 175.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mt -116.46 106.14 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.62 64.97 0.8 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.316 1.846 . . . . 0.0 110.649 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -151.2 161.03 43.47 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.29 1.036 . . . . 0.0 111.702 -176.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -60.7 68.01 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 129.535 3.134 . . . . 0.0 114.081 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.9 m -98.88 110.64 58.23 Favored Pre-proline 0 N--CA 1.469 0.51 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -152.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -77.21 168.5 23.01 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.006 2.471 . . . . 0.0 111.951 170.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.92 -42.49 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.081 1.352 . . . . 0.0 112.226 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.8 -47.51 83.14 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.534 0.734 . . . . 0.0 111.988 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -59.55 -51.11 71.27 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.793 0.837 . . . . 0.0 110.18 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -59.55 -46.59 88.46 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.2 m -53.22 -47.98 68.51 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.651 1.18 . . . . 0.0 111.428 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.57 -50.89 72.13 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.525 1.057 . . . . 0.0 111.556 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.1 -41.39 97.3 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.811 0.815 . . . . 0.0 112.615 -176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.8 -38.57 91.6 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.063 2.545 . . . . 0.0 111.703 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.94 -45.68 91.84 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.265 1.026 . . . . 0.0 111.535 171.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.6 ' CE2' HG13 ' A' ' 31' ' ' VAL . 31.5 m-85 -69.35 -36.74 77.19 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.35 -0.844 . . . . 0.0 112.825 175.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -36.65 68.8 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 169.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.5 ttp -77.53 -36.78 52.02 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.137 2.175 . . . . 0.0 114.15 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.38 -52.88 28.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.561 1.145 . . . . 0.0 111.431 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.6 p -62.42 -174.24 0.06 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.994 0.918 . . . . 0.0 110.456 158.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -121.83 73.84 1.1 Allowed 'General case' 0 N--CA 1.477 0.875 0 O-C-N 119.561 -1.962 . . . . 0.0 109.838 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.502 HG21 HG23 ' A' ' 42' ' ' ILE . 98.2 m -127.91 133.45 49.28 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.141 -155.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -78.05 140.66 39.13 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.419 1.088 . . . . 0.0 109.988 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.1 t -110.14 132.72 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.532 1.133 . . . . 0.0 110.558 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -131.32 106.22 8.14 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.845 0.831 . . . . 0.0 113.21 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -79.48 75.4 6.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.38 1.472 . . . . 0.0 112.086 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 127.096 2.158 . . . . 0.0 110.77 177.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 tp . . . . . 0 CA--C 1.539 0.553 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.45 -20.99 56.63 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.046 -0.863 . . . . 0.0 113.807 168.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.5 m -87.91 -29.77 20.6 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.228 1.514 . . . . 0.0 111.963 169.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.38 98.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.684 1.129 . . . . 0.0 111.451 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.471 0.586 0 C-N-CA 123.587 0.755 . . . . 0.0 112.724 176.572 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.606 0.717 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.0 t -131.98 142.45 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 127.556 2.342 . . . . 0.0 106.878 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 m -134.6 148.24 50.39 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.798 0.726 . . . . 0.0 110.702 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.2 mm -121.46 136.72 57.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 125.512 1.525 . . . . 0.0 108.719 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.61 -61.84 1.62 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.031 1.332 . . . . 0.0 110.583 -171.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -130.74 94.03 3.54 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.291 1.036 . . . . 0.0 109.878 -174.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.48 98.0 10.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.795 0.838 . . . . 0.0 110.624 174.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.13 -38.75 97.04 Favored Glycine 0 CA--C 1.534 1.255 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 170.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -141.82 152.14 43.42 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 148.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.644 ' H ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -109.31 177.96 4.59 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 118.94 -2.35 . . . . 0.0 112.969 -8.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -71.72 18.31 0.08 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -162.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.404 ' CG2' HG21 ' A' ' 17' ' ' VAL . 8.5 tt -54.39 -31.52 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.164 -1.585 . . . . 0.0 113.48 -172.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 101' ' ' LEU 0.324 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.771 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 176.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 119.425 -0.321 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -53.56 25.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 C-N-CA 125.489 1.516 . . . . 0.0 111.166 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.82 -51.17 70.69 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.153 0.888 . . . . 0.0 111.165 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -67.22 -48.27 68.35 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.378 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -61.26 -38.74 87.79 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.146 0.884 . . . . 0.0 111.52 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.79 -44.69 73.09 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.77 0.828 . . . . 0.0 111.296 178.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.8 99.14 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.428 1.013 . . . . 0.0 112.059 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -57.33 -43.08 83.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.634 1.174 . . . . 0.0 110.889 173.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -61.04 -53.71 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.343 1.057 . . . . 0.0 112.629 170.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mt -54.72 -18.92 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 126.331 1.852 . . . . 0.0 113.643 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -48.52 -36.43 15.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.373 1.469 . . . . 0.0 113.624 166.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.8 p -151.87 -12.1 0.19 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.37 152.64 36.21 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 119.67 1.123 . . . . 0.0 112.428 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -85.55 116.49 23.88 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.576 1.15 . . . . 0.0 111.861 -171.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -123.39 175.17 6.89 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.237 1.815 . . . . 0.0 113.716 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -146.17 148.83 32.95 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.823 2.049 . . . . 0.0 110.576 173.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.7 mt -136.86 129.7 30.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.509 1.523 . . . . 0.0 113.543 -168.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.76 150.18 26.39 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 123.991 0.805 . . . . 0.0 112.195 177.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.94 -57.9 10.13 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -165.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -55.01 -43.02 73.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.056 0.942 . . . . 0.0 111.686 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -57.7 -57.57 12.15 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.543 1.537 . . . . 0.0 111.465 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.251 8.4 t -59.96 -51.24 70.52 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-O 117.315 -1.326 . . . . 0.0 110.464 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG13 ' CE2' ' A' ' 59' ' ' TYR . 70.0 t -49.81 -51.51 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 121.394 1.906 . . . . 0.0 112.552 177.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -56.08 -50.55 70.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.551 0.74 . . . . 0.0 111.699 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -60.24 -48.34 82.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.544 1.538 . . . . 0.0 112.39 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 mt -67.67 -34.76 77.57 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.662 1.185 . . . . 0.0 111.843 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -74.7 -35.57 62.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.385 -0.817 . . . . 0.0 112.924 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -106.17 -13.21 15.49 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -173.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.45 174.07 22.75 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 120.293 1.406 . . . . 0.0 115.044 -169.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 73.04 2.06 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.491 1.516 . . . . 0.0 111.603 -174.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.0 p -56.09 152.68 10.17 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.897 1.279 . . . . 0.0 112.614 167.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.81 -32.71 0.48 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 166.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 43' ' ' ILE . 1.3 tm? -142.12 131.14 23.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.783 1.233 . . . . 0.0 109.657 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.2 pt -112.93 147.0 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.798 0.839 . . . . 0.0 111.82 171.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.678 HG21 HD22 ' A' ' 77' ' ' LEU . 21.1 mm -122.72 125.15 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 124.796 1.239 . . . . 0.0 109.566 172.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -102.45 88.0 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 164.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -106.2 57.53 0.66 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 122.929 1.347 . . . . 0.0 109.546 163.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.94 140.13 29.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.705 1.602 . . . . 0.0 107.481 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.74 77.27 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.007 1.723 . . . . 0.0 112.391 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.3 m -106.45 121.45 45.23 Favored Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 127.361 2.265 . . . . 0.0 110.669 -162.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.82 167.89 25.34 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.057 2.505 . . . . 0.0 112.594 176.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.1 t -52.81 -51.33 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.679 1.592 . . . . 0.0 113.014 -170.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.4 mt -57.6 -50.35 73.43 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.876 0.762 . . . . 0.0 111.371 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -48.32 82.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.736 2.014 . . . . 0.0 111.612 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -61.77 -44.38 97.01 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 118.704 -0.665 . . . . 0.0 109.331 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -58.38 -34.49 70.77 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-O 118.528 -0.749 . . . . 0.0 112.323 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -66.95 -48.16 69.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.125 0.875 . . . . 0.0 111.477 173.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mt -58.99 -45.59 90.27 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 122.056 0.931 . . . . 0.0 112.447 175.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.58 -37.79 79.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.295 2.238 . . . . 0.0 111.563 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -61.98 -47.26 85.63 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.128 1.371 . . . . 0.0 111.632 170.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CE2' HG13 ' A' ' 31' ' ' VAL . 31.4 m-85 -66.43 -34.61 78.33 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.411 1.005 . . . . 0.0 113.107 176.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.03 83.0 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.918 0.781 . . . . 0.0 112.134 168.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.31 -42.04 94.74 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.477 1.511 . . . . 0.0 112.497 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.77 -68.25 0.36 Allowed 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.66 1.184 . . . . 0.0 110.735 172.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.9 p -79.89 62.46 4.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.243 1.817 . . . . 0.0 111.37 -172.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -33.89 98.03 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.303 2.241 . . . . 0.0 113.466 -145.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -141.63 149.33 40.52 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.487 1.915 . . . . 0.0 112.24 -162.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -86.39 149.41 25.03 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.959 0.904 . . . . 0.0 111.232 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 t -114.09 152.22 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.139 1.376 . . . . 0.0 111.384 -174.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -140.46 149.96 43.2 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.716 1.207 . . . . 0.0 111.85 171.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -129.97 120.22 24.45 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 125.393 1.477 . . . . 0.0 110.857 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.532 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 1.3 t80 . . . . . 0 CA--C 1.54 0.571 0 C-N-CA 125.026 1.331 . . . . 0.0 110.107 -167.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.678 HD22 HG21 ' A' ' 43' ' ' ILE . 29.3 tp . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.68 -31.64 7.51 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.855 0.752 . . . . 0.0 112.085 162.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 m -54.39 -44.81 72.61 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.707 1.603 . . . . 0.0 112.08 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -58.47 4.36 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.04 0.936 . . . . 0.0 111.146 168.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 -154.683 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.9 p . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.29 157.9 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.395 1.478 . . . . 0.0 109.031 -170.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.6 m -145.53 154.05 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 120.168 -1.582 . . . . 0.0 110.323 158.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.7 mm -122.72 137.04 57.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 125.855 1.662 . . . . 0.0 108.625 -177.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.37 -63.79 1.34 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.039 1.735 . . . . 0.0 109.645 -171.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -121.93 93.28 3.95 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.081 1.352 . . . . 0.0 109.335 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.75 62.84 0.59 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.881 -0.512 . . . . 0.0 111.504 169.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.8 37.85 0.62 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.704 1.621 . . . . 0.0 113.51 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -141.46 -88.58 0.16 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.0 1.72 . . . . 0.0 109.505 -170.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -110.23 166.24 11.12 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 123.272 1.511 . . . . 0.0 113.146 165.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -53.39 4.2 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.961 1 C-N-CA 134.703 5.201 . . . . 0.0 119.868 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.9 tt -51.47 -50.93 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 121.801 2.091 . . . . 0.0 113.974 -161.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.36 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.696 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 176.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 CA--C 1.531 0.238 0 CA-C-O 119.085 -0.483 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -45.64 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 117.647 -1.168 . . . . 0.0 110.336 173.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -52.23 -59.19 4.68 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.918 1.235 . . . . 0.0 112.06 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.34 -55.73 28.19 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.807 1.243 . . . . 0.0 111.013 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -68.08 -32.95 73.64 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -71.42 -38.38 71.4 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.628 174.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.71 98.16 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.374 0.988 . . . . 0.0 112.056 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.6 -46.88 67.18 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.408 1.083 . . . . 0.0 110.577 171.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.8 t -58.58 -56.62 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.984 0.914 . . . . 0.0 111.843 171.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.86 -14.29 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.54 1.936 . . . . 0.0 114.312 -178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -48.02 -42.84 29.17 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.02 1.328 . . . . 0.0 112.786 163.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.5 p -147.77 -12.66 0.38 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.102 1.889 . . . . 0.0 116.102 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.5 130.08 9.6 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.088 1.327 . . . . 0.0 110.925 173.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 139.02 38.7 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 122.371 -0.488 . . . . 0.0 110.624 -171.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -135.63 172.94 12.29 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.681 1.192 . . . . 0.0 113.748 -173.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -143.76 157.56 44.3 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.533 1.933 . . . . 0.0 111.147 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.9 mt -141.47 128.7 20.99 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.734 1.613 . . . . 0.0 112.951 -168.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.4 154.12 26.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.404 1.002 . . . . 0.0 113.311 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.443 ' CE1' HD21 ' A' ' 56' ' ' LEU . 26.7 t80 -52.96 -58.5 6.74 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.718 1.207 . . . . 0.0 113.926 -161.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -58.0 -42.86 86.06 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.242 0.617 . . . . 0.0 111.994 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -59.95 -50.48 73.58 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 126.565 1.946 . . . . 0.0 112.537 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.266 9.7 t -61.23 -62.66 1.68 Allowed 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 116.315 -1.802 . . . . 0.0 109.162 170.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.2 t -44.72 -50.36 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 121.599 1.999 . . . . 0.0 113.119 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.43 -58.29 6.06 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.863 1.265 . . . . 0.0 111.272 171.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -63.95 -35.67 81.44 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.625 1.57 . . . . 0.0 114.072 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.36 -42.92 78.49 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.719 0.808 . . . . 0.0 110.366 174.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -66.61 -22.87 66.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.996 0.918 . . . . 0.0 112.968 174.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -76.32 -2.98 34.27 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.584 1.153 . . . . 0.0 114.04 164.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.5 -19.39 0.88 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.792 1.663 . . . . 0.0 116.648 171.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -12.41 47.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.482 1.913 . . . . 0.0 114.065 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -59.52 153.28 19.92 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.909 1.284 . . . . 0.0 113.181 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? -138.72 -21.97 0.98 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 173.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -145.8 137.68 25.23 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.566 1.147 . . . . 0.0 109.907 170.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 pt -114.3 139.06 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.111 1.365 . . . . 0.0 110.943 168.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.446 HD11 HD11 ' A' ' 41' ' ' LEU . 29.3 mm -114.84 130.82 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.761 1.225 . . . . 0.0 108.508 170.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mt -119.47 107.46 21.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.36 80.99 1.4 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.42 1.088 . . . . 0.0 111.582 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.39 175.92 9.75 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.231 1.012 . . . . 0.0 110.915 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -72.04 41.87 0.08 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.052 1.341 . . . . 0.0 111.494 162.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -54.46 110.36 2.09 Favored Pre-proline 0 N--CA 1.469 0.503 0 C-N-CA 126.645 1.978 . . . . 0.0 112.973 -151.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.36 145.81 76.44 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.252 2.635 . . . . 0.0 112.373 171.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.62 -44.54 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.308 1.043 . . . . 0.0 112.101 -175.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.64 -39.83 94.38 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.816 0.735 . . . . 0.0 111.726 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -47.07 68.4 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.358 1.063 . . . . 0.0 110.546 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -61.08 -44.66 97.02 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 118.821 -0.609 . . . . 0.0 109.469 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -56.18 -43.74 78.69 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.512 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.92 -46.31 85.34 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.658 1.117 . . . . 0.0 112.24 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.443 HD21 ' CE1' ' A' ' 27' ' ' TYR . 6.9 mt -57.64 -45.98 84.76 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 122.173 0.987 . . . . 0.0 113.253 175.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.5 -38.45 91.18 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.555 2.342 . . . . 0.0 111.794 175.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -60.14 -45.35 93.34 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.122 1.369 . . . . 0.0 111.179 170.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -68.04 -39.24 83.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.196 0.907 . . . . 0.0 113.253 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.17 -36.98 63.97 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.233 0.924 . . . . 0.0 112.882 169.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.3 ttp -79.52 -37.3 36.91 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.162 2.185 . . . . 0.0 114.422 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 mt -67.56 -54.49 19.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.087 1.355 . . . . 0.0 111.003 174.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.8 p -61.73 -176.18 0.08 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.123 0.569 . . . . 0.0 110.122 158.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.36 87.85 2.83 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.169 -1.582 . . . . 0.0 108.454 172.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.3 m -142.69 137.05 29.61 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.301 1.44 . . . . 0.0 110.321 -156.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.98 150.02 34.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.514 1.126 . . . . 0.0 110.502 175.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -115.94 140.06 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.752 1.221 . . . . 0.0 110.575 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -132.6 139.85 47.98 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.944 0.897 . . . . 0.0 112.983 164.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -104.64 87.66 2.74 Favored 'General case' 0 C--N 1.337 0.065 0 C-N-CA 125.52 1.528 . . . . 0.0 110.75 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.2 t80 . . . . . 0 CA--C 1.546 0.82 0 C-N-CA 126.338 1.855 . . . . 0.0 108.073 169.097 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 CA--C 1.541 0.629 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.98 -32.87 56.65 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 119.265 0.939 . . . . 0.0 114.754 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -70.76 -32.16 69.21 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.107 1.453 . . . . 0.0 111.777 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.8 78.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.582 0.753 . . . . 0.0 111.789 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 123.289 0.635 . . . . 0.0 112.623 176.611 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.468 0.474 0 CA-C-O 121.109 0.48 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 t -129.66 155.11 41.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 126.676 1.99 . . . . 0.0 108.046 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.1 m -146.84 146.15 30.11 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.26 -1.525 . . . . 0.0 111.062 162.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.0 mm -101.9 136.31 34.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 126.331 1.852 . . . . 0.0 108.411 174.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.47 -95.74 0.42 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.62 1.968 . . . . 0.0 109.682 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -81.93 79.89 8.35 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.754 1.622 . . . . 0.0 109.146 -173.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.35 51.79 0.07 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.107 2.563 . . . . 0.0 114.735 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.05 32.51 0.41 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.794 1.188 . . . . 0.0 114.547 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -142.1 -95.08 0.13 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.569 1.148 . . . . 0.0 111.939 -168.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.0 t -109.84 152.43 25.77 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 123.928 1.823 . . . . 0.0 114.255 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -54.61 4.53 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.816 1 C-N-CA 135.319 5.448 . . . . 0.0 117.921 170.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.5 tt -51.16 -39.61 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 121.513 1.96 . . . . 0.0 112.628 -170.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.484 0 C-N-CA 128.961 2.904 . . . . 0.0 116.456 171.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 118.907 -0.568 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -53.46 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 118.985 -0.531 . . . . 0.0 109.658 169.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -56.65 -52.91 63.07 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.355 1.062 . . . . 0.0 111.61 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -56.99 -56.28 23.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.833 1.253 . . . . 0.0 112.016 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -67.92 -31.39 71.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.779 0.718 . . . . 0.0 112.002 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 tt -68.96 -39.04 79.73 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.34 -0.85 . . . . 0.0 111.794 173.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -61.54 -46.42 90.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.675 1.125 . . . . 0.0 111.613 170.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.39 -34.35 64.27 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.788 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.443 HG21 HG22 ' A' ' 100' ' ' ILE . 28.2 t -70.98 -58.73 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.888 1.222 . . . . 0.0 111.614 168.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -48.35 -30.71 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.323 1.849 . . . . 0.0 114.004 -176.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -58.01 -19.82 33.95 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 p -142.15 -24.87 0.67 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 167.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.9 146.12 27.91 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.882 1.23 . . . . 0.0 112.888 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.4 119.91 23.08 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.869 0.868 . . . . 0.0 111.209 -171.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -120.59 171.53 8.5 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.81 1.644 . . . . 0.0 113.167 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -143.34 152.23 41.39 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.73 2.012 . . . . 0.0 110.378 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.3 mt -139.06 125.83 20.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.026 1.33 . . . . 0.0 113.97 -165.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.99 152.45 24.06 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.632 1.111 . . . . 0.0 113.097 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.456 ' CE2' HD21 ' A' ' 56' ' ' LEU . 31.9 t80 -50.39 -59.74 3.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.877 1.271 . . . . 0.0 113.019 -164.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -52.35 -47.97 65.78 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.34 1.056 . . . . 0.0 112.254 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.95 -56.51 21.27 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.964 1.706 . . . . 0.0 111.847 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -59.35 -55.86 29.44 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.457 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.438 HG22 ' CE2' ' A' ' 59' ' ' TYR . 70.5 t -50.04 -46.31 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 121.719 2.054 . . . . 0.0 112.966 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -56.11 -52.49 64.13 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.026 0.83 . . . . 0.0 112.178 170.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 m -58.24 -43.4 87.76 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.064 1.746 . . . . 0.0 113.134 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.1 mt -70.7 -41.43 71.96 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.45 1.5 . . . . 0.0 110.921 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -62.8 -28.05 69.73 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.847 0.748 . . . . 0.0 112.534 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.76 4.47 11.61 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.166 1.387 . . . . 0.0 114.167 166.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.04 -32.37 1.51 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.223 1.868 . . . . 0.0 116.584 162.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -74.94 15.44 0.39 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -167.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.6 p -75.66 164.69 26.03 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.873 -1.142 . . . . 0.0 112.431 172.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -132.54 -22.77 2.14 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 158.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.454 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -141.15 134.61 29.83 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.04 0.837 . . . . 0.0 110.738 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.6 pt -113.01 137.89 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.673 1.189 . . . . 0.0 111.077 167.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.454 HD11 HD11 ' A' ' 41' ' ' LEU . 37.8 mm -108.06 129.87 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 C-N-CA 124.982 1.313 . . . . 0.0 107.772 169.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.0 mt -118.1 97.93 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 172.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -106.85 53.33 0.7 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.839 1.656 . . . . 0.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.8 155.18 39.65 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.637 -0.665 . . . . 0.0 111.915 -174.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -61.69 62.93 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 129.571 3.149 . . . . 0.0 113.251 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.5 m -94.36 115.1 64.86 Favored Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 125.545 1.538 . . . . 0.0 111.56 -157.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.48 152.71 25.57 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.283 2.655 . . . . 0.0 113.578 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.27 -41.53 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.918 0.887 . . . . 0.0 112.597 -173.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.4 -19.03 63.04 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.195 -0.941 . . . . 0.0 112.547 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -43.6 9.91 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.403 1.081 . . . . 0.0 110.11 -178.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -42.82 95.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 119.139 -0.457 . . . . 0.0 110.821 167.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.7 m -60.45 -43.81 96.47 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.33 -0.843 . . . . 0.0 112.583 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -63.56 -42.59 98.35 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 120.071 1.305 . . . . 0.0 112.811 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.456 HD21 ' CE2' ' A' ' 27' ' ' TYR . 5.5 mt -60.8 -44.72 96.48 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.242 -0.911 . . . . 0.0 113.361 174.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -62.75 -36.41 82.97 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 125.602 1.561 . . . . 0.0 112.237 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -62.5 -46.79 86.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.399 1.08 . . . . 0.0 111.459 169.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.438 ' CE2' HG22 ' A' ' 31' ' ' VAL . 25.2 m-85 -62.69 -43.44 98.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.481 1.037 . . . . 0.0 112.328 173.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.41 -47.0 69.95 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.095 0.861 . . . . 0.0 112.133 171.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.9 ttp -59.59 -37.13 77.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.158 1.383 . . . . 0.0 112.698 173.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.45 -65.54 0.67 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.701 1.137 . . . . 0.0 111.425 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.7 p -77.33 53.71 1.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.434 1.894 . . . . 0.0 113.19 -169.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -31.92 96.43 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.12 1.768 . . . . 0.0 112.837 -136.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -137.26 148.33 46.36 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.968 2.507 . . . . 0.0 111.26 -161.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -87.09 150.33 24.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.812 1.245 . . . . 0.0 111.544 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.84 137.08 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.827 1.651 . . . . 0.0 110.661 173.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -128.34 112.98 15.03 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.574 1.15 . . . . 0.0 111.716 167.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -79.94 85.86 5.51 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.901 1.28 . . . . 0.0 111.536 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.9 OUTLIER . . . . . 0 CA--C 1.545 0.762 0 C-N-CA 125.112 1.365 . . . . 0.0 110.986 177.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 CA--C 1.542 0.668 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.62 -32.62 32.29 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 124.961 1.267 . . . . 0.0 112.614 168.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.3 m -56.76 -31.75 64.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.469 1.908 . . . . 0.0 112.504 173.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.5 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -90.27 -50.74 5.8 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 124.242 1.017 . . . . 0.0 112.751 175.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -170.326 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 121.407 0.622 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.4 t -130.72 156.8 42.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 127.04 2.136 . . . . 0.0 107.588 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 m -147.95 157.33 43.46 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 119.825 -1.797 . . . . 0.0 111.099 165.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -122.81 132.24 71.69 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 C-N-CA 126.293 1.837 . . . . 0.0 109.256 -174.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mp -114.51 -65.18 1.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.923 2.089 . . . . 0.0 111.78 -170.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.06 85.67 2.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.84 0.856 . . . . 0.0 109.77 -172.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.45 85.38 2.56 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 122.063 -0.398 . . . . 0.0 110.878 171.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.53 36.95 0.46 Allowed Glycine 0 CA--C 1.538 1.531 0 O-C-N 121.576 -0.703 . . . . 0.0 112.154 160.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -160.13 -154.81 0.41 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.893 1.677 . . . . 0.0 108.666 -155.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -54.64 148.88 11.71 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 124.596 2.141 . . . . 0.0 113.918 171.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -53.09 -4.12 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.723 1 C-N-CA 134.026 4.93 . . . . 0.0 117.636 174.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.443 HG22 HG21 ' A' ' 17' ' ' VAL . 8.5 tt -55.66 -32.43 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.306 1.412 . . . . 0.0 113.331 -164.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.262 1.1 pt? . . . . . 0 CA--C 1.539 0.527 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -73.22 11.8 0.9 Allowed 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 124.226 3.284 . . . . 0.0 115.774 -164.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 59.8 t -59.04 -41.47 83.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 125.063 1.345 . . . . 0.0 109.458 160.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.8 pttp -77.97 71.77 4.46 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.939 0.876 . . . . 0.0 109.577 161.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.0 m -62.39 -5.4 2.45 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 116.278 1.955 . . . . 0.0 116.278 -165.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.14 -32.33 1.77 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.396 1.078 . . . . 0.0 112.486 158.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -51.52 -31.39 23.83 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 127.812 2.445 . . . . 0.0 114.225 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -60.5 -5.29 1.14 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 172.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -42.62 49.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 CA-C-N 119.554 1.07 . . . . 0.0 109.629 159.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -54.46 -49.93 68.91 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.474 1.51 . . . . 0.0 111.749 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -57.83 -53.66 55.72 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.5 1.12 . . . . 0.0 111.112 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 56.7 tttp -64.79 -36.69 85.14 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.076 0.55 . . . . 0.0 112.364 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -71.07 -38.77 72.45 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.084 0.954 . . . . 0.0 112.429 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.76 -43.26 89.41 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 119.805 1.184 . . . . 0.0 111.536 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -51.63 -42.32 61.94 Favored 'General case' 0 C--N 1.345 0.399 0 CA-C-O 118.163 -0.922 . . . . 0.0 110.813 170.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.5 t -64.51 -59.0 4.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 124.698 1.199 . . . . 0.0 112.969 170.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -54.49 -19.7 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.693 1.997 . . . . 0.0 113.693 -177.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -47.13 -35.23 6.91 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.892 1.677 . . . . 0.0 113.462 165.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.5 p -150.36 -16.46 0.24 Allowed 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 116.359 1.985 . . . . 0.0 116.359 171.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.36 152.22 35.68 Favored Glycine 0 CA--C 1.533 1.177 0 C-N-CA 124.884 1.23 . . . . 0.0 111.905 174.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -94.51 138.06 32.87 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.836 0.827 . . . . 0.0 113.15 -163.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -141.16 174.33 10.64 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.4 1.48 . . . . 0.0 113.627 -170.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.1 t -146.6 150.77 36.13 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.536 1.935 . . . . 0.0 110.723 173.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.9 mt -136.29 126.08 25.67 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.368 1.467 . . . . 0.0 114.248 -164.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.89 147.67 11.74 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 123.707 0.67 . . . . 0.0 112.599 177.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.484 ' CE2' HD21 ' A' ' 56' ' ' LEU . 40.7 t80 -44.82 -59.2 2.65 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.291 1.436 . . . . 0.0 113.112 -163.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -56.46 -39.68 73.59 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -71.02 -46.05 62.85 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 125.541 1.536 . . . . 0.0 112.523 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.255 5.2 t -60.15 -61.33 2.69 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 117.683 -1.151 . . . . 0.0 108.994 168.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.432 HG21 ' CE1' ' A' ' 27' ' ' TYR . 59.5 t -47.71 -45.69 11.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 120.174 1.352 . . . . 0.0 113.104 -178.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.9 tttm -45.41 -69.62 0.13 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.783 1.233 . . . . 0.0 111.489 166.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.0 m -77.01 -15.15 59.72 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -171.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 HG22 ' A' ' 42' ' ' ILE . 48.9 mt -69.51 -42.83 74.21 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 119.078 0.854 . . . . 0.0 111.06 162.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -71.49 -20.13 62.11 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 118.793 0.724 . . . . 0.0 112.852 174.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -71.37 -6.9 43.57 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 160.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.87 3.92 81.35 Favored Glycine 0 CA--C 1.535 1.314 0 C-N-CA 125.283 1.42 . . . . 0.0 115.264 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.7 tttm -94.32 -4.39 48.75 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.217 1.562 . . . . 0.0 115.217 -153.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 p -83.52 161.16 21.32 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 125.614 1.565 . . . . 0.0 113.824 177.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -123.24 -16.12 7.02 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.947 1.299 . . . . 0.0 113.567 163.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD11 ' CD1' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -144.78 136.85 25.98 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 118.995 0.816 . . . . 0.0 111.207 173.758 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.604 HG23 HG21 ' A' ' 65' ' ' THR . 25.0 pt -111.33 135.69 49.74 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 125.045 1.338 . . . . 0.0 111.054 165.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.548 HG21 HD22 ' A' ' 77' ' ' LEU . 36.8 mm -102.1 132.19 48.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 167.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.4 mt -124.21 91.62 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 170.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.446 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -91.05 70.79 6.34 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.97 0.89 . . . . 0.0 111.513 175.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.6 148.5 16.15 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.718 2.007 . . . . 0.0 109.255 167.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -71.95 70.88 0.78 Allowed 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.489 1.138 . . . . 0.0 110.747 171.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 89.7 m -78.13 130.47 72.28 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 127.261 2.224 . . . . 0.0 111.384 -156.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -67.61 152.86 77.63 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.553 2.169 . . . . 0.0 112.216 -176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.1 t -51.84 -46.6 40.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 125.631 1.572 . . . . 0.0 113.124 -165.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.97 -26.55 65.1 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -40.7 11.57 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 121.413 -0.805 . . . . 0.0 110.201 -176.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.62 -49.01 79.08 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 168.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 m -63.5 -36.96 85.48 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-O 117.602 -1.189 . . . . 0.0 112.967 -177.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -64.25 -43.32 95.22 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.661 1.573 . . . . 0.0 112.498 172.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 27' ' ' TYR . 6.1 mt -59.67 -43.94 93.8 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.106 0.866 . . . . 0.0 113.099 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -61.08 -40.36 93.4 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.72 2.008 . . . . 0.0 111.837 174.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -61.44 -46.49 89.84 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.102 1.361 . . . . 0.0 111.403 172.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -66.41 -36.71 83.51 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.114 -0.991 . . . . 0.0 112.935 173.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.97 -35.68 71.51 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.812 0.845 . . . . 0.0 113.039 170.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.7 ttp -78.31 -34.83 48.44 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 127.003 2.121 . . . . 0.0 114.031 175.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.7 mt -68.93 -53.18 22.35 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.907 1.283 . . . . 0.0 111.35 173.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 96.5 p -62.29 -174.11 0.05 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.906 0.883 . . . . 0.0 110.309 156.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -121.82 75.75 1.23 Allowed 'General case' 0 N--CA 1.476 0.867 0 O-C-N 119.529 -1.982 . . . . 0.0 109.573 175.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.604 HG21 HG23 ' A' ' 42' ' ' ILE . 86.5 m -132.54 133.56 43.88 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 114.434 -1.257 . . . . 0.0 111.222 -155.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -79.67 149.93 31.08 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.239 0.615 . . . . 0.0 110.937 174.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.2 t -113.2 128.86 69.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 124.539 1.136 . . . . 0.0 110.199 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -125.04 103.73 8.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.465 1.106 . . . . 0.0 111.062 177.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 61.7 m-85 -79.49 87.97 5.08 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.877 1.271 . . . . 0.0 111.188 176.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.446 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER -79.81 46.28 0.77 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.307 1.443 . . . . 0.0 108.68 174.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -74.79 -2.45 26.65 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 -153.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -56.39 109.22 1.44 Allowed Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.939 1.257 . . . . 0.0 111.073 171.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -43.74 -32.57 2.17 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.672 2.082 . . . . 0.0 115.874 -169.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -38.85 -43.14 0.91 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 127.344 2.258 . . . . 0.0 113.815 167.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . 0.263 5.3 p30 36.95 66.42 0.42 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 128.571 2.748 . . . . 0.0 114.025 -169.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.3 mp0 -61.02 -15.22 29.57 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.548 HD22 HG21 ' A' ' 43' ' ' ILE . 14.8 tp -48.35 -29.46 3.98 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 127.062 2.145 . . . . 0.0 113.807 170.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.51 -17.35 19.16 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 121.595 -0.691 . . . . 0.0 113.923 174.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -63.96 -38.65 91.86 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.687 1.195 . . . . 0.0 111.835 169.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.06 -26.14 59.15 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.758 1.223 . . . . 0.0 114.067 178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.4 m -131.82 -3.79 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 115.857 1.799 . . . . 0.0 115.857 -164.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.73 91.65 1.77 Allowed Glycine 0 CA--C 1.528 0.857 0 CA-C-N 119.13 0.877 . . . . 0.0 111.467 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -47.98 -10.09 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 129.297 3.039 . . . . 0.0 117.987 -169.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 85.6 mt -51.53 -32.99 29.98 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 126.833 2.053 . . . . 0.0 114.45 -176.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -61.53 -24.57 66.71 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.198 0.999 . . . . 0.0 113.682 174.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . 0.443 0.0 OUTLIER 36.16 6.37 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.971 1 C-N-CA 133.708 4.803 . . . . 0.0 119.896 -169.224 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.7 m -122.63 147.0 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 126.424 1.89 . . . . 0.0 107.466 147.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.31 72.94 0.21 Allowed Glycine 0 N--CA 1.467 0.753 0 CA-C-O 119.734 -0.481 . . . . 0.0 113.011 -166.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.7 p -93.65 116.65 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.577 0 CA-C-N 117.697 0.749 . . . . 0.0 110.337 170.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 43.5 t -135.83 158.46 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 C-N-CA 125.824 1.649 . . . . 0.0 108.432 -172.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m -146.93 151.41 36.98 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 119.753 -1.842 . . . . 0.0 110.634 166.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.4 mm -123.22 133.51 68.9 Favored 'Isoleucine or valine' 0 C--O 1.243 0.716 0 C-N-CA 125.771 1.628 . . . . 0.0 109.588 -172.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.0 mp -115.57 -106.89 0.38 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 128.355 2.662 . . . . 0.0 108.517 -169.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -76.54 82.09 3.23 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.831 -1.168 . . . . 0.0 110.698 174.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.09 51.99 0.07 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.066 1.746 . . . . 0.0 113.285 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.49 47.68 1.16 Allowed Glycine 0 CA--C 1.533 1.185 0 C-N-CA 125.633 1.587 . . . . 0.0 113.972 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -144.51 -83.99 0.14 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.713 1.605 . . . . 0.0 110.171 -174.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.6 t -108.38 155.16 20.86 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 123.355 1.55 . . . . 0.0 111.914 163.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -52.41 -1.1 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.725 1 C-N-CA 135.128 5.371 . . . . 0.0 117.586 177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.416 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 13.8 tt -45.25 -49.2 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 120.087 1.312 . . . . 0.0 114.369 -157.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -85.56 -0.84 56.18 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 115.654 1.724 . . . . 0.0 115.654 -173.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.0 t -106.82 0.36 23.98 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.029 1.332 . . . . 0.0 113.203 157.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 20.1 m -96.15 -41.63 8.61 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.237 1.415 . . . . 0.0 110.665 169.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.66 4.32 1.97 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.285 1.834 . . . . 0.0 114.297 168.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.176 0 N-CA-C 117.647 2.462 . . . . 0.0 117.647 -129.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.793 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -81.27 11.87 2.89 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 124.538 3.492 . . . . 0.0 113.892 177.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.6 p -58.91 132.47 23.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 C-N-CA 125.183 1.393 . . . . 0.0 113.021 -162.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -90.53 3.0 55.23 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 131.298 3.839 . . . . 0.0 113.883 -8.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -42.22 107.67 0.08 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 128.526 2.73 . . . . 0.0 114.921 -163.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.83 -24.21 52.74 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 -159.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -74.34 -46.4 41.06 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.441 1.496 . . . . 0.0 111.266 166.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 m -65.15 -39.88 93.59 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 125.551 1.54 . . . . 0.0 111.91 -172.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -48.35 51.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 118.29 -0.862 . . . . 0.0 111.419 177.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -57.96 -59.42 5.29 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.172 0.989 . . . . 0.0 110.228 -175.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -63.46 -47.06 83.41 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -63.34 -34.85 78.6 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.652 -0.655 . . . . 0.0 111.892 -179.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.7 tt -67.25 -44.59 79.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 118.422 -0.799 . . . . 0.0 111.185 173.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.4 -45.68 90.82 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.508 1.049 . . . . 0.0 112.076 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tt -54.47 -50.28 68.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.647 1.579 . . . . 0.0 111.125 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -55.97 -48.95 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.089 0.956 . . . . 0.0 112.404 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.2 mt -54.72 -20.46 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 125.398 1.479 . . . . 0.0 113.762 177.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -57.0 -30.43 64.17 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-N 120.554 1.525 . . . . 0.0 113.363 174.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.9 p -150.85 -4.99 0.3 Allowed 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -175.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.32 165.53 34.2 Favored Glycine 0 CA--C 1.531 1.057 0 C-N-CA 124.636 1.112 . . . . 0.0 113.535 172.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.3 mtpt -93.8 112.9 24.84 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.754 1.222 . . . . 0.0 110.779 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.3 p90 -128.16 174.69 9.04 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.751 1.22 . . . . 0.0 113.802 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -148.05 148.92 31.2 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.286 1.835 . . . . 0.0 110.762 174.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.9 mt -137.56 129.89 29.43 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 125.603 1.561 . . . . 0.0 113.766 -166.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.72 149.23 24.46 Favored Glycine 0 CA--C 1.532 1.106 0 C-N-CA 123.773 0.701 . . . . 0.0 111.791 178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 35.2 t80 -57.01 -53.41 58.38 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -163.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.7 ttpt -54.0 -46.89 71.88 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.396 1.078 . . . . 0.0 111.372 175.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -58.65 -53.18 61.3 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 125.73 1.612 . . . . 0.0 112.074 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.268 7.7 t -60.52 -56.59 19.55 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 116.734 -1.603 . . . . 0.0 110.185 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 67.4 t -48.25 -51.5 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.263 0 CA-C-N 121.602 2.001 . . . . 0.0 112.755 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.2 ttpp -49.93 -57.74 6.86 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.046 1.338 . . . . 0.0 111.19 171.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 m -61.78 -44.23 97.28 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.836 1.254 . . . . 0.0 112.757 -174.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 63.5 mt -65.13 -39.64 93.33 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.533 1.133 . . . . 0.0 111.373 176.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -66.11 -35.62 80.99 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.795 0.838 . . . . 0.0 112.63 171.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -73.29 -40.85 64.22 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -173.71 -171.85 38.55 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 117.159 1.623 . . . . 0.0 117.159 -169.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.47 89.66 0.15 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.265 1.826 . . . . 0.0 112.934 -171.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.0 p -64.18 171.95 2.72 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.276 -0.89 . . . . 0.0 111.213 150.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -134.66 -24.02 1.56 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 164.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.605 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -143.68 129.81 19.69 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.138 1.775 . . . . 0.0 108.75 178.331 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.697 HG23 HG21 ' A' ' 65' ' ' THR . 13.0 pt -113.12 150.49 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-N 118.738 0.699 . . . . 0.0 111.364 166.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.605 HD11 HD11 ' A' ' 41' ' ' LEU . 17.5 mm -120.54 135.07 61.97 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 124.769 1.227 . . . . 0.0 109.694 175.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -120.11 92.2 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-O 121.636 0.732 . . . . 0.0 109.066 164.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -109.36 55.24 0.64 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 127.359 2.263 . . . . 0.0 109.275 165.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.5 159.54 43.95 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.768 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -66.54 55.74 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 129.375 3.07 . . . . 0.0 112.446 172.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 53.3 m -105.49 101.5 32.2 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 129.629 3.172 . . . . 0.0 109.876 -172.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -73.31 174.13 12.61 Favored 'Trans proline' 0 CA--C 1.543 0.96 0 C-N-CA 123.586 2.858 . . . . 0.0 114.227 -168.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.2 t -51.8 -44.99 37.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 126.225 1.81 . . . . 0.0 114.744 -164.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.95 -39.27 72.71 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.715 1.143 . . . . 0.0 111.732 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -68.11 -46.76 70.01 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 127.203 2.201 . . . . 0.0 111.583 -175.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -57.04 -45.05 83.45 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 170.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.5 m -75.56 -25.15 56.86 Favored 'General case' 0 C--O 1.225 -0.23 0 C-N-CA 122.824 0.45 . . . . 0.0 111.756 -168.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.45 -49.91 73.57 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 117.947 -1.025 . . . . 0.0 111.818 160.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mt -55.45 -44.66 76.6 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-N 120.424 1.466 . . . . 0.0 112.868 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -55.74 -47.26 77.23 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.682 2.393 . . . . 0.0 111.035 175.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -60.5 -49.85 75.93 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.003 1.321 . . . . 0.0 112.204 172.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -62.94 -40.79 98.73 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.195 -0.941 . . . . 0.0 112.089 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.13 -42.83 91.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.009 0.924 . . . . 0.0 112.679 170.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -57.87 -38.44 75.72 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.785 0.834 . . . . 0.0 111.982 171.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -65.11 -68.22 0.38 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.77 1.168 . . . . 0.0 111.645 170.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.4 p -77.18 66.76 3.03 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.323 1.449 . . . . 0.0 111.578 -175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.6 mmtm -33.91 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.535 2.334 . . . . 0.0 114.834 -146.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.697 HG21 HG23 ' A' ' 42' ' ' ILE . 3.5 m -134.57 147.28 50.23 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.418 1.887 . . . . 0.0 111.95 -165.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.13 153.62 21.38 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.375 0.67 . . . . 0.0 111.203 172.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.37 96.69 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 125.753 1.621 . . . . 0.0 109.96 -171.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.412 ' HB3' HD13 ' A' ' 43' ' ' ILE . 41.9 t80 -83.36 102.37 11.96 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-O 121.772 0.796 . . . . 0.0 110.435 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -79.03 122.8 26.65 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-O 121.784 0.802 . . . . 0.0 111.576 173.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.438 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -134.06 26.71 3.9 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 128.408 2.683 . . . . 0.0 107.932 -178.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -75.04 30.76 0.09 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.903 2.081 . . . . 0.0 113.834 -169.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.73 60.87 1.64 Allowed Glycine 0 CA--C 1.532 1.155 0 O-C-N 120.29 -1.506 . . . . 0.0 111.39 170.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.63 -82.89 0.35 Allowed Glycine 0 CA--C 1.538 1.518 0 C-N-CA 127.376 2.417 . . . . 0.0 111.705 -168.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -134.32 -66.18 0.62 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 128.424 2.69 . . . . 0.0 111.4 -0.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 63.82 2.94 1.45 Allowed 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.91 2.084 . . . . 0.0 115.772 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -73.3 -16.72 61.37 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.154 1.343 . . . . 0.0 112.761 175.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.583 HD22 HG21 ' A' ' 43' ' ' ILE . 36.5 tp -59.38 -15.82 19.01 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.224 -0.922 . . . . 0.0 112.488 161.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.55 -40.09 23.83 Favored Glycine 0 CA--C 1.531 1.046 0 CA-C-O 118.185 -1.342 . . . . 0.0 112.569 161.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.3 m -55.15 -31.43 61.31 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 120.25 2.025 . . . . 0.0 112.804 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.0 -65.67 0.74 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.977 0.808 . . . . 0.0 111.583 162.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.1 m -90.99 -10.83 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -154.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -161.71 -4.84 0.05 OUTLIER Glycine 0 CA--C 1.535 1.324 0 N-CA-C 117.835 1.894 . . . . 0.0 117.835 -177.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 51.25 -70.53 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 131.073 3.749 . . . . 0.0 114.08 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.494 HD23 ' H ' ' A' ' 84' ' ' LEU . 2.0 pt? -82.12 -34.55 29.18 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.381 1.472 . . . . 0.0 113.407 171.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 49.9 p90 -94.24 127.86 40.35 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.414 1.006 . . . . 0.0 110.754 175.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 45.5 mtt-85 -140.78 86.33 2.04 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.618 1.167 . . . . 0.0 112.015 -152.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.3 t -139.97 103.72 1.73 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.989 1.716 . . . . 0.0 107.467 165.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.59 43.22 3.13 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-N 120.562 1.528 . . . . 0.0 114.481 -165.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.0 p -100.32 108.7 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 118.202 1.001 . . . . 0.0 109.348 174.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.2 t -134.48 156.94 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 124.665 1.186 . . . . 0.0 109.466 -164.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.8 m -147.47 148.82 31.65 Favored 'General case' 0 C--N 1.331 -0.206 0 O-C-N 120.541 -1.35 . . . . 0.0 110.935 163.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.0 mm -120.87 132.51 70.19 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 C-N-CA 125.853 1.661 . . . . 0.0 108.722 -178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -96.92 -58.37 2.05 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 126.256 1.822 . . . . 0.0 110.033 -177.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.6 mp0 -131.63 113.34 13.48 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.051 1.741 . . . . 0.0 109.084 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.89 73.04 1.12 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.581 0.752 . . . . 0.0 111.874 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.5 44.96 0.36 Allowed Glycine 0 CA--C 1.535 1.326 0 C-N-CA 126.66 2.076 . . . . 0.0 115.303 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -158.24 -81.87 0.06 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.205 1.402 . . . . 0.0 111.232 164.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.5 t -107.95 163.31 13.24 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.39 1.476 . . . . 0.0 113.288 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -64.77 12.22 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 128.811 2.844 . . . . 0.0 117.495 -162.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.8 tt -49.59 -43.5 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-N 120.003 1.274 . . . . 0.0 114.28 -157.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.251 0.2 OUTLIER -91.09 -4.62 56.1 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -175.355 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 31.6 p -57.04 -82.17 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 125.69 1.596 . . . . 0.0 113.157 -174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.9 p -74.51 15.1 0.38 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.981 1.712 . . . . 0.0 113.385 173.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.28 -12.32 17.35 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.508 2.323 . . . . 0.0 112.841 172.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.515 0 N-CA-C 115.863 1.801 . . . . 0.0 115.863 -157.726 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.672 0 CA-C-O 118.757 -0.639 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -78.02 37.85 0.65 Allowed 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 125.022 3.815 . . . . 0.0 114.375 -164.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t -66.46 139.7 20.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 124.961 1.304 . . . . 0.0 110.475 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -55.34 147.95 15.95 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.318 1.447 . . . . 0.0 110.713 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -93.27 21.59 5.88 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 130.689 3.595 . . . . 0.0 114.92 -9.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -59.17 -28.59 66.75 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -171.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.3 -29.36 70.45 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.872 0.869 . . . . 0.0 112.741 177.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.9 m -79.31 -42.0 26.74 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.487 1.515 . . . . 0.0 112.904 -174.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -50.53 76.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 CA-C-N 118.935 0.789 . . . . 0.0 108.959 169.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -55.94 9.79 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.731 1.612 . . . . 0.0 111.929 170.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -61.87 -47.39 85.21 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.178 0.991 . . . . 0.0 112.541 -177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -62.94 -40.86 98.94 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.572 0.749 . . . . 0.0 111.38 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.9 -39.73 94.87 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.736 0.815 . . . . 0.0 111.846 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.635 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -61.98 -48.52 79.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 119.552 1.069 . . . . 0.0 112.016 172.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -53.67 -43.79 69.15 Favored 'General case' 0 CA--C 1.533 0.288 0 C-N-CA 124.674 1.19 . . . . 0.0 110.461 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -59.92 -57.56 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 124.276 1.03 . . . . 0.0 112.416 169.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mt -50.74 -29.37 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 126.317 1.847 . . . . 0.0 113.5 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.53 -21.86 7.17 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 171.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.9 p -151.52 -14.04 0.2 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 117.493 2.405 . . . . 0.0 117.493 163.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.35 157.83 43.03 Favored Glycine 0 CA--C 1.534 1.276 0 CA-C-N 119.949 1.25 . . . . 0.0 113.193 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -79.36 110.42 14.63 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.887 -0.773 . . . . 0.0 111.879 -171.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -118.41 173.34 6.88 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.07 1.348 . . . . 0.0 113.84 174.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -146.0 163.37 35.41 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.783 2.033 . . . . 0.0 110.954 171.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.9 mt -143.64 145.63 32.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.773 2.029 . . . . 0.0 111.716 -170.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.51 159.4 35.39 Favored Glycine 0 CA--C 1.537 1.407 0 C-N-CA 125.122 1.344 . . . . 0.0 113.013 174.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' CE1' HD21 ' A' ' 56' ' ' LEU . 79.4 t80 -65.6 -80.41 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -164.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.86 -20.95 66.42 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.33 -1.481 . . . . 0.0 111.887 178.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.6 t -55.23 -56.34 21.09 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 127.133 2.173 . . . . 0.0 112.896 167.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.2 t -62.51 -45.58 92.36 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 116.723 -1.608 . . . . 0.0 110.535 172.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.436 HG22 ' CD2' ' A' ' 59' ' ' TYR . 93.6 t -47.49 -55.59 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.369 0 CA-C-N 121.973 2.17 . . . . 0.0 112.672 176.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.22 -50.64 58.7 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.624 1.97 . . . . 0.0 111.198 172.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -65.21 -41.14 94.76 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.918 1.287 . . . . 0.0 113.579 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.22 -29.87 71.12 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.668 1.987 . . . . 0.0 111.155 174.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -43.01 36.09 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.152 1.381 . . . . 0.0 112.825 170.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -63.6 -41.84 98.3 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 175.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -130.76 168.89 21.66 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 116.05 1.18 . . . . 0.0 116.05 -163.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -69.07 71.5 0.24 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 127.41 2.284 . . . . 0.0 112.077 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.5 p -62.12 152.29 33.31 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -142.18 -26.29 0.65 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 116.149 1.907 . . . . 0.0 116.149 169.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.525 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -145.31 123.52 12.21 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 119.24 0.927 . . . . 0.0 109.907 -179.17 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 11.3 pt -106.05 144.78 14.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 118.748 0.704 . . . . 0.0 111.051 168.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.525 HD11 HD11 ' A' ' 41' ' ' LEU . 25.5 mm -110.65 134.47 52.8 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 125.118 1.367 . . . . 0.0 108.608 172.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.5 mt -123.89 90.72 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 173.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.33 51.21 0.82 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 127.355 2.262 . . . . 0.0 110.416 172.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -137.78 168.37 19.83 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.335 1.454 . . . . 0.0 111.447 -172.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 p-10 -68.37 55.22 0.08 Allowed 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.782 2.033 . . . . 0.0 113.804 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.3 m -98.98 108.51 49.68 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 125.566 1.546 . . . . 0.0 112.026 -162.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -77.99 174.2 12.86 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.809 3.006 . . . . 0.0 112.573 172.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.4 t -53.02 -46.78 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 125.997 1.719 . . . . 0.0 113.451 -172.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.37 -44.96 89.75 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.259 0.936 . . . . 0.0 111.702 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -64.68 -45.52 86.33 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.612 1.165 . . . . 0.0 111.16 179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -62.69 -43.07 99.74 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.244 175.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.7 m -56.72 -40.18 75.22 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.117 0.967 . . . . 0.0 111.893 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.66 -55.61 32.27 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.885 0.766 . . . . 0.0 111.106 171.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.429 HD21 ' CE1' ' A' ' 27' ' ' TYR . 5.4 mt -57.78 -43.15 85.35 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 122.167 0.984 . . . . 0.0 112.992 -178.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -62.44 -35.47 79.35 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 128.029 2.532 . . . . 0.0 112.208 175.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -63.19 -48.5 78.09 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 119.154 0.888 . . . . 0.0 111.596 168.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.436 ' CD2' HG22 ' A' ' 31' ' ' VAL . 39.0 m-85 -66.48 -30.63 71.01 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 121.154 -0.966 . . . . 0.0 113.348 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.73 71.36 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.966 1.306 . . . . 0.0 112.174 165.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.6 tmm? -56.11 -41.61 75.51 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.808 1.243 . . . . 0.0 112.413 176.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.0 mt -58.66 -78.75 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.328 1.051 . . . . 0.0 112.466 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.9 p -80.4 78.16 7.12 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.034 1.334 . . . . 0.0 109.374 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -35.34 100.39 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.326 2.25 . . . . 0.0 113.131 -152.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 m -137.25 146.05 44.31 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.689 2.396 . . . . 0.0 109.732 -165.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -87.41 155.01 20.22 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.286 0.493 . . . . 0.0 111.114 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -113.03 107.92 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 C-N-CA 126.081 1.752 . . . . 0.0 110.157 176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -95.83 101.69 13.4 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.888 0.851 . . . . 0.0 110.795 177.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -77.95 108.76 11.44 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.375 1.07 . . . . 0.0 110.613 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -123.6 10.65 9.1 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 126.196 1.798 . . . . 0.0 110.372 -176.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -72.2 25.18 0.05 Allowed 'General case' 0 CA--C 1.548 0.89 0 O-C-N 119.541 -1.974 . . . . 0.0 115.84 179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.6 46.42 0.54 Allowed Glycine 0 CA--C 1.534 1.251 0 C-N-CA 128.012 2.72 . . . . 0.0 116.213 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 67.3 48.11 60.14 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 118.711 1.256 . . . . 0.0 111.177 -171.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -127.05 155.77 42.73 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 124.987 1.315 . . . . 0.0 113.129 -161.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -145.71 -8.07 0.57 Allowed 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 126.811 2.044 . . . . 0.0 112.221 170.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.8 mp0 -54.2 -31.46 53.09 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 129.054 2.942 . . . . 0.0 113.535 -167.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 28.3 tp -55.85 -21.79 21.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.905 2.082 . . . . 0.0 113.772 175.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.76 -24.9 34.68 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.163 -0.798 . . . . 0.0 113.561 167.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 m -64.2 -47.72 78.67 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.172 1.389 . . . . 0.0 111.005 169.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.635 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -68.14 -39.54 82.65 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.3 m -89.82 -14.53 9.05 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.69 50.54 35.74 Favored Glycine 0 CA--C 1.528 0.877 0 C-N-CA 125.175 1.369 . . . . 0.0 111.528 -179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -142.6 131.05 22.33 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.481 1.512 . . . . 0.0 110.513 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 84.4 mt -75.6 12.32 1.06 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.477 1.511 . . . . 0.0 113.729 174.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.72 161.71 11.97 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.289 1.036 . . . . 0.0 113.711 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.5 mmm-85 -107.8 3.28 24.29 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -173.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.5 m -137.36 91.51 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 125.977 1.711 . . . . 0.0 109.963 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.54 55.35 2.47 Favored Glycine 0 CA--C 1.53 0.992 0 C-N-CA 124.978 1.275 . . . . 0.0 113.963 -176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.8 p -88.8 114.78 27.6 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 121.827 0.823 . . . . 0.0 109.284 167.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.9 t -135.66 157.41 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 126.001 1.721 . . . . 0.0 107.621 -172.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.6 m -150.94 152.64 33.88 Favored 'General case' 0 N--CA 1.465 0.293 0 O-C-N 119.85 -1.781 . . . . 0.0 111.205 167.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.8 mm -121.66 134.37 65.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 126.298 1.839 . . . . 0.0 108.724 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -109.38 -67.78 0.96 Allowed 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.524 1.53 . . . . 0.0 109.216 -173.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -123.93 89.46 3.09 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 124.204 1.002 . . . . 0.0 110.163 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.75 65.11 0.69 Allowed 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.732 0.813 . . . . 0.0 111.767 171.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.36 43.98 0.9 Allowed Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.01 1.29 . . . . 0.0 112.983 173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -145.6 -84.37 0.13 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.475 1.51 . . . . 0.0 110.072 -167.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 t -107.79 152.52 24.26 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 123.767 1.746 . . . . 0.0 111.519 160.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -52.23 11.78 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.824 1 C-N-CA 135.897 5.679 . . . . 0.0 117.319 177.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.3 tt -52.02 -52.68 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 121.171 1.805 . . . . 0.0 112.916 -169.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.313 0.1 OUTLIER -67.81 6.58 0.65 Allowed 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 175.156 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 55.0 p -79.56 -56.54 4.23 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.52 1.055 . . . . 0.0 111.253 161.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.4 t -107.07 -12.76 15.34 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 115.483 1.66 . . . . 0.0 115.483 -172.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.54 -6.13 20.87 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.713 1.605 . . . . 0.0 111.704 176.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.249 0 C-N-CA 125.286 1.434 . . . . 0.0 111.489 157.626 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.522 ' HB1' ' CD ' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 116.099 -1.905 . . . . 0.0 108.43 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.522 ' CD ' ' HB1' ' A' ' 2' ' ' ALA . 87.7 Cg_exo -54.08 160.62 5.98 Favored 'Trans proline' 0 C--N 1.354 0.848 0 C-N-CA 122.779 2.319 . . . . 0.0 114.626 174.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.0 t -43.4 -43.69 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 126.543 1.937 . . . . 0.0 114.675 -165.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -64.05 -14.66 56.07 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 -178.375 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.3 p -90.49 -9.38 47.53 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 120.181 1.355 . . . . 0.0 113.829 167.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -95.04 -54.63 3.37 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.312 1.445 . . . . 0.0 114.38 -170.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -46.92 66.35 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -171.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -72.74 -38.48 67.39 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.69 0.796 . . . . 0.0 110.911 -170.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -46.63 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.242 169.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -52.5 -55.14 24.12 Favored 'General case' 0 C--N 1.349 0.585 0 CA-C-N 120.055 1.298 . . . . 0.0 111.017 175.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -52.77 -61.62 2.18 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.857 0.863 . . . . 0.0 111.444 177.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -66.05 -37.04 84.83 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.98 -38.95 76.18 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.186 -0.912 . . . . 0.0 112.002 176.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.94 -44.34 89.79 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.104 1.32 . . . . 0.0 112.068 172.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 tt -52.35 -43.04 64.4 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.543 1.137 . . . . 0.0 110.841 171.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.9 t -63.55 -57.95 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 C-N-CA 124.172 0.989 . . . . 0.0 112.838 169.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.5 mt -51.5 -31.4 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.43 1.492 . . . . 0.0 113.139 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -55.84 -16.7 4.88 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.44 1.496 . . . . 0.0 114.435 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.3 p -148.82 -14.34 0.32 Allowed 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 164.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.47 170.78 39.18 Favored Glycine 0 CA--C 1.536 1.366 0 C-N-CA 125.465 1.507 . . . . 0.0 114.827 -175.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.07 112.15 23.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.78 1.232 . . . . 0.0 111.346 -174.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -123.34 172.17 8.86 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.657 1.583 . . . . 0.0 113.618 176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.8 t -142.77 156.97 45.07 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.49 1.916 . . . . 0.0 110.875 171.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.6 mt -141.06 130.81 24.21 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.069 1.748 . . . . 0.0 113.255 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.98 151.16 21.63 Favored Glycine 0 CA--C 1.533 1.206 0 C-N-CA 124.609 1.099 . . . . 0.0 113.032 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CE1' HD21 ' A' ' 56' ' ' LEU . 24.6 t80 -50.64 -57.5 8.08 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.842 1.257 . . . . 0.0 113.53 -162.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -55.58 -47.03 77.12 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.041 0.937 . . . . 0.0 112.101 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -60.5 -47.4 86.32 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 127.138 2.175 . . . . 0.0 112.845 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -66.0 -58.47 5.44 Favored 'General case' 0 C--O 1.221 -0.434 0 CA-C-O 116.72 -1.61 . . . . 0.0 109.203 172.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.2 t -46.86 -49.75 6.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 CA-C-N 121.561 1.982 . . . . 0.0 113.147 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -44.12 -65.11 0.55 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.516 1.527 . . . . 0.0 111.332 166.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -70.04 -27.2 64.46 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.146 1.378 . . . . 0.0 113.681 -169.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 57.8 mt -75.02 -38.78 61.42 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.393 1.077 . . . . 0.0 111.422 171.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -68.17 -20.83 64.9 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.668 0.667 . . . . 0.0 112.445 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -75.12 3.41 8.65 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.12 1.368 . . . . 0.0 113.849 161.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 81.9 -48.49 3.9 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 125.764 1.65 . . . . 0.0 115.725 160.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -78.98 20.39 0.48 Allowed 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.636 2.087 . . . . 0.0 116.636 -164.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.8 p -70.68 162.58 28.76 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.594 1.088 . . . . 0.0 111.636 167.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.1 tttm -130.76 -14.71 3.55 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 164.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.528 HD11 ' CD1' ' A' ' 43' ' ' ILE . 2.6 tm? -139.23 130.45 26.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 119.661 1.119 . . . . 0.0 110.748 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.616 HG23 HG21 ' A' ' 65' ' ' THR . 14.6 pt -114.93 138.59 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.022 0.929 . . . . 0.0 111.182 161.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CD1' HD11 ' A' ' 41' ' ' LEU . 23.9 mm -111.63 139.84 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 124.273 1.029 . . . . 0.0 108.466 167.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.6 mt -122.67 94.04 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.21 58.86 3.37 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 123.594 1.664 . . . . 0.0 110.866 169.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -141.93 140.29 32.76 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.888 1.275 . . . . 0.0 110.826 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -73.04 72.98 1.17 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.341 1.856 . . . . 0.0 108.4 176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 87.8 m -91.23 117.89 68.15 Favored Pre-proline 0 N--CA 1.469 0.518 0 C-N-CA 124.775 1.23 . . . . 0.0 112.383 -149.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.34 148.53 41.45 Favored 'Trans proline' 0 C--N 1.352 0.725 0 C-N-CA 123.405 2.737 . . . . 0.0 113.301 172.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.7 t -54.9 -45.32 75.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 124.624 1.17 . . . . 0.0 112.472 -173.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -64.65 -39.67 94.11 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 118.864 0.756 . . . . 0.0 112.127 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -46.89 72.72 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.825 1.25 . . . . 0.0 110.202 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -62.66 -44.65 95.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.413 174.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.6 m -56.33 -41.26 75.77 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 123.975 0.91 . . . . 0.0 111.62 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -64.06 -47.6 79.51 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.271 0.941 . . . . 0.0 112.162 174.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.421 HD21 ' CE1' ' A' ' 27' ' ' TYR . 5.8 mt -58.6 -44.32 89.82 Favored 'General case' 0 N--CA 1.48 1.064 0 CA-C-O 121.836 0.827 . . . . 0.0 112.986 175.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -63.74 -38.1 89.84 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 127.815 2.446 . . . . 0.0 111.793 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -62.54 -47.21 84.89 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.671 1.188 . . . . 0.0 111.448 169.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -66.47 -34.86 78.88 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 121.145 -0.972 . . . . 0.0 112.898 174.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.78 -32.72 67.79 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 119.061 0.846 . . . . 0.0 113.151 168.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -81.66 -35.13 30.29 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.702 2.001 . . . . 0.0 114.03 175.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 33.8 mt -69.08 -51.86 34.41 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 119.528 1.058 . . . . 0.0 111.549 172.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.6 p -61.73 -174.94 0.05 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.162 0.585 . . . . 0.0 110.241 156.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -121.99 75.98 1.26 Allowed 'General case' 0 N--CA 1.474 0.734 0 O-C-N 119.767 -1.833 . . . . 0.0 109.456 175.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.616 HG21 HG23 ' A' ' 42' ' ' ILE . 90.7 m -131.78 139.28 48.87 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.422 -1.263 . . . . 0.0 112.449 -154.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -78.78 143.16 36.35 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.467 1.107 . . . . 0.0 110.637 170.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.64 129.02 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 125.179 1.392 . . . . 0.0 110.013 172.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -123.69 106.02 10.18 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.738 1.215 . . . . 0.0 110.918 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -78.71 82.54 4.93 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.754 1.222 . . . . 0.0 111.268 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -76.58 -27.82 55.98 Favored 'General case' 0 CA--C 1.52 -0.197 0 C-N-CA 123.514 0.726 . . . . 0.0 111.653 -167.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -48.96 116.13 1.54 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.357 1.063 . . . . 0.0 112.159 -161.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -74.46 14.66 4.04 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.678 1.609 . . . . 0.0 114.218 -174.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.49 -14.63 6.62 Favored Glycine 0 CA--C 1.542 1.745 0 C-N-CA 124.034 0.826 . . . . 0.0 113.024 -133.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -145.59 -173.78 4.22 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 127.421 2.288 . . . . 0.0 112.166 -162.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.21 17.2 14.82 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 128.139 2.576 . . . . 0.0 113.321 -161.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 18.9 pm0 -61.85 -8.09 4.51 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -168.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.421 HD22 HG21 ' A' ' 43' ' ' ILE . 35.1 tp -54.21 -19.76 5.75 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.964 1.706 . . . . 0.0 113.51 161.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.77 -31.67 2.75 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.739 1.161 . . . . 0.0 113.827 163.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -56.71 -52.25 65.66 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.431 1.492 . . . . 0.0 111.419 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.56 -38.68 80.95 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 m -92.11 -16.0 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -172.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.14 -47.21 1.93 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 126.74 2.114 . . . . 0.0 113.037 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -75.05 68.51 1.86 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.895 1.678 . . . . 0.0 109.415 174.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -62.81 18.65 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 129.243 3.017 . . . . 0.0 118.119 -168.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -67.03 164.25 18.17 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -176.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -97.6 150.5 21.07 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.921 1.288 . . . . 0.0 109.37 164.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.1 m -67.23 132.4 32.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 129.584 3.154 . . . . 0.0 111.185 -13.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.9 46.23 3.1 Favored Glycine 0 CA--C 1.53 0.971 0 CA-C-N 118.662 0.665 . . . . 0.0 113.135 -174.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -84.42 133.38 29.38 Favored 'Isoleucine or valine' 0 C--O 1.233 0.234 0 O-C-N 121.794 -0.827 . . . . 0.0 110.084 175.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.6 t -130.86 155.43 41.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 C-N-CA 126.758 2.023 . . . . 0.0 107.804 -175.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.9 m -148.25 151.41 35.4 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 120.133 -1.604 . . . . 0.0 111.056 164.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.403 HG12 HD12 ' A' ' 41' ' ' LEU . 16.2 mm -121.1 137.07 56.01 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 C-N-CA 125.763 1.625 . . . . 0.0 110.008 -178.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mp -119.96 -41.58 2.65 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.424 1.89 . . . . 0.0 112.655 -170.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -136.8 100.64 4.37 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 124.337 1.055 . . . . 0.0 109.456 169.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.591 ' HB3' HD22 ' A' ' 101' ' ' LEU . . . -75.09 66.85 1.69 Allowed 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 121.456 0.646 . . . . 0.0 111.269 173.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.21 27.5 0.32 Allowed Glycine 0 CA--C 1.534 1.224 0 C-N-CA 125.416 1.484 . . . . 0.0 115.894 -175.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -137.86 -78.3 0.37 Allowed 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.028 1.414 . . . . 0.0 110.091 -170.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.1 t -108.68 163.42 13.26 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 123.073 1.416 . . . . 0.0 111.953 159.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -52.44 7.2 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.919 1 C-N-CA 134.448 5.099 . . . . 0.0 118.57 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.7 tt -50.83 -47.15 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 CA-C-N 121.102 1.774 . . . . 0.0 112.532 -161.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' A' ' 95' ' ' ALA 0.311 0.1 OUTLIER -84.25 7.1 20.28 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -174.915 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.5 t -108.99 -13.96 14.63 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.407 1.632 . . . . 0.0 115.407 160.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.5 p -107.93 -47.17 3.63 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-N 120.52 1.509 . . . . 0.0 114.289 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -83.65 -30.33 26.95 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.336 1.454 . . . . 0.0 111.018 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 101' ' ' LEU . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 116.437 -1.744 . . . . 0.0 114.204 175.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.853 0 CA-C-O 117.68 -1.152 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -65.75 1.91 1.97 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 124.583 3.522 . . . . 0.0 118.065 -170.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p -81.2 -41.99 19.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.51 0 C-N-CA 124.3 1.04 . . . . 0.0 111.782 162.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 tmtm? -92.74 -50.77 5.41 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 125.292 1.437 . . . . 0.0 114.726 -171.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -68.31 18.06 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 116.766 2.135 . . . . 0.0 116.766 -154.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -64.55 -29.18 70.2 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.941 2.096 . . . . 0.0 115.607 -162.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.15 -42.98 13.4 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 119.044 0.838 . . . . 0.0 110.733 174.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 t -54.7 -52.67 61.69 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 125.681 1.592 . . . . 0.0 110.804 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -51.76 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 C-N-CA 123.961 0.904 . . . . 0.0 111.817 176.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -59.92 -50.43 73.8 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.168 0.895 . . . . 0.0 110.629 -174.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.78 -59.02 5.85 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.368 1.067 . . . . 0.0 111.878 172.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -58.45 -42.75 88.09 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 124.986 1.315 . . . . 0.0 111.42 -174.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 tt -69.41 -42.27 75.3 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-O 117.974 -1.012 . . . . 0.0 111.919 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.81 97.87 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.182 1.355 . . . . 0.0 111.925 172.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.5 tt -56.75 -43.6 80.91 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.915 0.886 . . . . 0.0 110.89 175.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.2 t -59.77 -57.29 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 123.964 0.906 . . . . 0.0 111.875 169.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -49.3 -29.76 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.713 1.605 . . . . 0.0 113.248 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -23.87 12.55 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 171.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.7 p -154.68 -15.61 0.12 Allowed 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 117.563 2.431 . . . . 0.0 117.563 165.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.37 158.03 43.22 Favored Glycine 0 CA--C 1.534 1.275 0 CA-C-N 120.008 1.276 . . . . 0.0 112.556 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -89.04 111.66 22.44 Favored 'General case' 0 N--CA 1.47 0.542 0 O-C-N 121.856 -0.791 . . . . 0.0 111.869 -167.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -115.24 171.45 7.68 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.489 1.516 . . . . 0.0 113.662 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.4 t -143.93 151.61 40.01 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 126.741 2.016 . . . . 0.0 110.714 171.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.3 mt -139.49 134.39 32.21 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.538 1.535 . . . . 0.0 112.961 -171.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 92.66 146.92 20.33 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 124.054 0.835 . . . . 0.0 111.878 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 37.4 t80 -54.48 -50.96 66.52 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.047 0.939 . . . . 0.0 113.23 -164.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -55.46 -46.35 76.83 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.21 1.004 . . . . 0.0 112.036 175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -62.9 -48.12 80.35 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 126.942 2.097 . . . . 0.0 112.822 -177.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.275 8.0 t -59.98 -65.37 0.69 Allowed 'General case' 0 C--N 1.346 0.429 0 CA-C-O 116.197 -1.858 . . . . 0.0 109.303 168.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG13 ' CE2' ' A' ' 59' ' ' TYR . 70.3 t -45.35 -48.9 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-N 121.642 2.019 . . . . 0.0 113.203 -177.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ttpp -48.15 -60.89 2.29 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.639 1.175 . . . . 0.0 111.19 169.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 m -59.76 -35.84 75.43 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.272 1.429 . . . . 0.0 113.649 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.33 -40.92 61.89 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.361 0.665 . . . . 0.0 111.23 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.0 mtp85 -68.07 -28.23 67.18 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.372 1.069 . . . . 0.0 112.762 173.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -68.95 -3.19 11.89 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.648 1.179 . . . . 0.0 113.461 162.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.66 4.02 74.51 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.397 1.475 . . . . 0.0 114.716 176.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 0.86 23.04 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -152.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.7 p -68.31 168.9 11.55 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.877 0.871 . . . . 0.0 112.249 164.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -136.45 -16.86 1.55 Allowed 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 158.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.419 HD11 HD11 ' A' ' 43' ' ' ILE . 1.4 tm? -140.88 133.37 28.48 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.244 1.017 . . . . 0.0 109.993 171.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.434 HG23 HG21 ' A' ' 65' ' ' THR . 15.6 pt -111.41 148.16 14.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 124.718 1.207 . . . . 0.0 111.904 168.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.419 HD11 HD11 ' A' ' 41' ' ' LEU . 19.4 mm -119.22 139.77 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 124.865 1.266 . . . . 0.0 109.331 170.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -121.39 85.0 0.89 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 C-N-CA 123.556 0.742 . . . . 0.0 109.107 167.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.3 53.05 0.95 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.221 1.808 . . . . 0.0 110.017 166.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -148.5 137.72 21.84 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.958 1.703 . . . . 0.0 108.408 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.3 m-80 -65.05 83.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 122.651 1.215 . . . . 0.0 112.481 178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.1 m -106.5 109.47 63.15 Favored Pre-proline 0 CA--C 1.537 0.471 0 C-N-CA 128.037 2.535 . . . . 0.0 110.48 -163.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -68.76 165.42 29.69 Favored 'Trans proline' 0 CA--C 1.541 0.849 0 C-N-CA 122.575 2.183 . . . . 0.0 112.979 -176.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.8 t -51.5 -52.66 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 125.371 1.468 . . . . 0.0 113.551 -165.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.6 mt -62.24 -37.95 87.39 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.11 0.868 . . . . 0.0 112.075 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -67.73 -47.51 69.11 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.813 1.645 . . . . 0.0 110.406 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -62.92 -46.28 88.55 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.7 t -59.53 -33.3 71.21 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.309 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -67.65 -48.84 65.53 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.489 1.041 . . . . 0.0 111.273 172.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.13 -44.07 87.58 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.057 0.844 . . . . 0.0 112.537 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -61.09 -42.36 98.37 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.652 2.381 . . . . 0.0 111.417 176.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -59.65 -48.29 82.25 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.769 1.228 . . . . 0.0 111.701 169.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.405 ' CE2' HG13 ' A' ' 31' ' ' VAL . 35.2 m-85 -65.77 -38.55 89.37 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.273 -0.892 . . . . 0.0 112.933 176.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.0 -46.85 81.98 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.707 1.14 . . . . 0.0 111.962 170.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.9 ttp -58.59 -40.42 83.18 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.307 1.443 . . . . 0.0 112.607 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.33 -66.14 0.58 Allowed 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.492 1.042 . . . . 0.0 111.601 172.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.5 p -71.47 46.29 0.11 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 129.459 3.103 . . . . 0.0 114.38 -169.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -31.51 96.06 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.78 1.632 . . . . 0.0 112.184 -134.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.434 HG21 HG23 ' A' ' 42' ' ' ILE . 1.7 m -133.16 142.55 48.7 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 127.453 2.301 . . . . 0.0 109.801 -162.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -78.82 150.36 32.32 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.974 -0.454 . . . . 0.0 110.892 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.3 t -105.97 148.97 9.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 C-N-CA 125.388 1.475 . . . . 0.0 110.429 172.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -139.04 110.8 7.15 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.059 1.344 . . . . 0.0 111.386 166.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -79.81 130.5 35.37 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.309 0.644 . . . . 0.0 111.275 172.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -142.18 39.15 1.6 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.414 1.086 . . . . 0.0 110.472 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -63.25 -21.61 66.35 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -165.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.81 3.75 78.01 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 124.7 1.143 . . . . 0.0 114.75 170.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -107.39 20.57 32.33 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 127.109 2.29 . . . . 0.0 114.098 179.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.27 -10.73 11.77 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 127.673 2.389 . . . . 0.0 114.463 -173.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -115.87 -30.45 6.08 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.131 1.773 . . . . 0.0 111.401 168.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.3 mp0 -76.75 -44.35 33.43 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 129.198 2.999 . . . . 0.0 111.601 -163.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 33.1 tp -68.13 -17.93 64.49 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.523 0.601 . . . . 0.0 112.354 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.83 -38.52 23.32 Favored Glycine 0 CA--C 1.529 0.924 0 C-N-CA 123.978 0.799 . . . . 0.0 112.662 165.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.5 m -48.65 -44.29 37.41 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.826 1.651 . . . . 0.0 111.64 175.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.68 -67.67 0.51 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.143 0.977 . . . . 0.0 111.556 168.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.4 m -79.58 -20.61 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -154.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -163.21 -14.22 0.03 OUTLIER Glycine 0 N--CA 1.471 0.997 0 N-CA-C 117.946 1.938 . . . . 0.0 117.946 -171.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.1 -47.38 0.16 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 130.069 3.347 . . . . 0.0 114.235 178.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 64.7 tp -85.35 -66.33 0.91 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.028 2.131 . . . . 0.0 110.722 164.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 28.2 p90 -73.87 131.26 41.31 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.464 0.706 . . . . 0.0 110.735 176.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.3 ptm85 -142.99 -8.32 0.8 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 117.893 2.553 . . . . 0.0 117.893 -157.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 48.7 t -71.46 92.59 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.444 1.098 . . . . 0.0 108.816 175.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -87.95 61.24 4.06 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 123.392 0.52 . . . . 0.0 113.637 -159.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p -84.85 109.13 17.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 159.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.0 t -127.85 157.93 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.22 1.408 . . . . 0.0 109.538 -166.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.1 m -146.0 156.48 43.53 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 120.429 -1.419 . . . . 0.0 111.213 156.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.6 mm -117.57 126.93 75.0 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 C-N-CA 126.647 1.979 . . . . 0.0 108.161 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -101.98 -43.16 5.86 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 127.442 2.297 . . . . 0.0 111.788 -170.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -139.02 110.67 7.1 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.124 1.37 . . . . 0.0 109.396 171.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.5 56.31 0.25 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.579 0.752 . . . . 0.0 111.852 167.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.56 31.6 0.59 Allowed Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.501 1.524 . . . . 0.0 113.741 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -148.52 -95.91 0.08 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.097 1.759 . . . . 0.0 109.429 -170.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.5 t -109.17 154.49 22.28 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 123.764 1.745 . . . . 0.0 112.638 168.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -52.32 18.68 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.957 1 C-N-CA 136.968 6.107 . . . . 0.0 118.707 -176.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.0 tt -49.37 -51.04 15.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 CA-C-N 121.367 1.894 . . . . 0.0 113.397 -171.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.328 0.0 OUTLIER -63.09 -10.63 15.32 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 117.127 2.269 . . . . 0.0 117.127 176.012 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.9 t -108.9 -15.04 14.46 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 115.614 1.709 . . . . 0.0 115.614 163.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.0 m -105.44 -35.78 7.38 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.673 1.124 . . . . 0.0 113.311 -173.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.63 77.99 7.42 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.78 1.232 . . . . 0.0 111.581 -166.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.274 0 CA-C-O 116.546 -1.692 . . . . 0.0 111.755 165.758 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.552 ' N ' ' HG1' ' A' ' 103' ' ' THR . . . . . . . . 0 N--CA 1.476 0.871 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -72.56 158.68 50.5 Favored 'Trans proline' 0 CA--C 1.537 0.65 0 C-N-CA 122.74 2.293 . . . . 0.0 111.799 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.5 p -55.76 -33.43 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -171.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.73 -4.72 16.9 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.857 1.663 . . . . 0.0 115.168 175.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 t -88.75 65.39 7.67 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 119.414 1.006 . . . . 0.0 113.583 -161.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -48.38 -43.69 34.02 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 126.404 1.882 . . . . 0.0 111.871 167.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 pm0 -61.82 -26.5 68.15 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.213 1.805 . . . . 0.0 114.311 174.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 m -78.57 -71.29 0.44 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.297 0.639 . . . . 0.0 109.727 164.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.58 -56.1 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-O 118.218 -0.896 . . . . 0.0 112.69 -165.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -62.37 -55.09 31.34 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 119.716 1.144 . . . . 0.0 110.767 -169.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.06 -57.37 11.33 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 126.227 1.811 . . . . 0.0 111.931 172.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 tppp? -68.68 -30.44 69.11 Favored 'General case' 0 C--N 1.341 0.202 0 CA-C-O 118.857 -0.592 . . . . 0.0 111.944 -172.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.8 tt -67.82 -43.6 79.23 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 118.808 0.731 . . . . 0.0 110.693 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.85 -45.5 93.54 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.987 0.812 . . . . 0.0 112.126 170.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tt -57.72 -38.41 75.24 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.877 0.871 . . . . 0.0 111.349 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.66 -54.93 27.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.082 1.353 . . . . 0.0 112.652 167.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.6 mt -55.82 -20.45 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.775 1.63 . . . . 0.0 113.642 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -48.06 -37.47 15.12 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.717 1.607 . . . . 0.0 113.844 167.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.7 p -149.21 -1.42 0.47 Allowed 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 116.559 2.059 . . . . 0.0 116.559 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.31 -165.93 28.23 Favored Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.345 1.45 . . . . 0.0 113.447 175.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.43 117.32 20.36 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.529 -0.983 . . . . 0.0 111.766 -176.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -131.18 175.74 8.86 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 127.185 2.194 . . . . 0.0 112.724 -172.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.3 t -146.99 150.6 35.46 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.061 1.745 . . . . 0.0 110.511 175.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.2 mt -136.76 129.67 30.83 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.803 1.641 . . . . 0.0 112.544 -171.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.25 150.65 26.95 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 124.671 1.129 . . . . 0.0 112.557 176.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.21 -58.38 7.94 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.922 0.889 . . . . 0.0 113.179 -164.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -56.17 -41.68 75.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.956 0.903 . . . . 0.0 111.946 178.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -58.1 -56.93 15.63 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.605 1.562 . . . . 0.0 111.408 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.262 9.9 t -60.37 -52.55 64.76 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-O 116.937 -1.506 . . . . 0.0 110.416 176.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -48.8 -50.91 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 121.669 2.032 . . . . 0.0 112.57 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.3 tttm -54.79 -53.06 60.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.562 0.745 . . . . 0.0 111.634 172.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.4 m -58.29 -52.47 65.46 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.697 1.599 . . . . 0.0 112.333 -177.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.63 -34.67 77.51 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.227 1.411 . . . . 0.0 112.015 -179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -78.06 -29.2 49.12 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.035 0.934 . . . . 0.0 113.208 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -105.59 -14.51 15.26 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -175.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -147.08 168.59 28.23 Favored Glycine 0 CA--C 1.53 1.023 0 CA-C-N 120.436 1.471 . . . . 0.0 114.862 -175.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.412 ' HZ1' ' CD ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -75.03 83.13 2.26 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.989 1.315 . . . . 0.0 110.76 -179.569 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 93' ' ' LEU . 81.5 p -68.9 161.66 28.27 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 122.106 -0.371 . . . . 0.0 111.355 158.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -136.02 -22.54 1.38 Allowed 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 169.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.547 HD11 HD11 ' A' ' 43' ' ' ILE . 1.8 tm? -143.27 125.72 15.74 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 118.798 0.726 . . . . 0.0 110.365 178.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.621 HG23 HG21 ' A' ' 65' ' ' THR . 13.8 pt -107.22 140.78 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 123.953 0.901 . . . . 0.0 111.302 166.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.547 HD11 HD11 ' A' ' 41' ' ' LEU . 25.4 mm -110.26 135.34 49.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.192 0 C-N-CA 124.353 1.061 . . . . 0.0 108.474 169.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 23.3 mt -119.76 83.29 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 171.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.89 50.03 1.09 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.735 1.614 . . . . 0.0 110.397 168.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.3 144.58 40.51 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 125.894 1.678 . . . . 0.0 107.437 172.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 24.0 m120 -76.86 85.23 3.43 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.969 0.89 . . . . 0.0 109.93 -174.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 86.7 m -105.85 113.65 63.6 Favored Pre-proline 0 CA--C 1.538 0.491 0 C-N-CA 125.395 1.478 . . . . 0.0 111.154 -152.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -70.28 161.35 46.33 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.793 2.328 . . . . 0.0 112.763 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.12 -58.74 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.349 1.86 . . . . 0.0 113.493 -165.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.1 mt -60.97 -35.78 77.68 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.619 0.645 . . . . 0.0 112.426 -177.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -50.23 27.35 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 125.048 1.339 . . . . 0.0 110.461 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -58.26 -48.83 79.19 Favored 'General case' 0 C--N 1.346 0.446 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.9 m -76.19 -17.07 59.7 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 118.158 -0.925 . . . . 0.0 113.261 -171.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -66.44 -47.29 73.64 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 120.012 1.278 . . . . 0.0 111.196 161.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.59 -42.73 97.31 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.311 0.959 . . . . 0.0 112.575 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -57.42 -41.66 80.81 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.471 2.308 . . . . 0.0 110.81 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -62.59 -48.92 77.32 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.986 1.315 . . . . 0.0 112.011 172.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -62.79 -41.93 99.48 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.08 0.855 . . . . 0.0 112.014 175.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.06 -44.71 79.15 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.501 0.72 . . . . 0.0 112.353 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -60.1 -41.88 93.49 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.816 1.247 . . . . 0.0 112.446 172.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.5 -75.06 0.09 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.293 1.037 . . . . 0.0 112.016 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.0 p -80.07 79.79 6.57 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.897 1.279 . . . . 0.0 109.531 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -36.87 95.7 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 128.675 2.79 . . . . 0.0 114.269 -155.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.621 HG21 HG23 ' A' ' 42' ' ' ILE . 7.1 m -136.1 142.98 44.35 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.871 2.068 . . . . 0.0 110.494 -166.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -79.84 143.44 34.36 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.922 -0.486 . . . . 0.0 110.878 172.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.7 t -102.45 132.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 C-N-CA 125.824 1.65 . . . . 0.0 109.547 173.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -127.23 107.09 9.7 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.222 1.009 . . . . 0.0 111.596 174.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -79.67 119.34 22.47 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.868 1.267 . . . . 0.0 111.208 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -138.09 31.25 2.43 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.211 1.404 . . . . 0.0 110.888 -172.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -73.1 42.31 0.11 Allowed 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 115.689 1.737 . . . . 0.0 115.689 -171.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -48.48 139.38 11.92 Favored Glycine 0 CA--C 1.528 0.868 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 169.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -49.88 -27.34 9.66 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 123.972 0.796 . . . . 0.0 114.568 175.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.2 -8.07 52.04 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 126.579 1.951 . . . . 0.0 113.044 177.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . 0.323 0.1 OUTLIER 29.91 67.24 0.11 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 128.13 2.572 . . . . 0.0 114.403 -158.085 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' CD ' ' H ' ' A' ' 76' ' ' GLU . 1.9 mp0 -49.45 -24.5 2.04 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 128.456 2.703 . . . . 0.0 114.304 -173.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.534 HD22 HG21 ' A' ' 43' ' ' ILE . 21.0 tp -55.76 -19.08 9.93 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.142 2.177 . . . . 0.0 113.735 170.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.27 -30.83 49.13 Favored Glycine 0 CA--C 1.535 1.303 0 O-C-N 120.995 -1.065 . . . . 0.0 112.676 168.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.1 m -51.2 -41.02 59.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.608 1.563 . . . . 0.0 111.063 171.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.33 -68.9 0.51 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.277 1.031 . . . . 0.0 111.677 166.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 m -110.47 -18.64 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 N-CA-C 116.937 2.199 . . . . 0.0 116.937 -152.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -147.32 -2.9 0.48 Allowed Glycine 0 N--CA 1.476 1.309 0 N-CA-C 117.731 1.852 . . . . 0.0 117.731 -160.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 mmtm 53.91 -64.19 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 130.849 3.66 . . . . 0.0 116.094 169.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 92.2 mt -125.78 1.06 7.43 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.771 2.028 . . . . 0.0 113.25 -177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.39 171.76 1.79 Allowed 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.14 0.882 . . . . 0.0 112.908 171.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.2 6.36 4.93 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 177.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.9 t -123.68 72.73 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 124.405 1.082 . . . . 0.0 109.835 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -77.64 53.77 3.65 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.467 1.032 . . . . 0.0 113.961 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.4 p -93.04 116.4 34.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 121.504 0.668 . . . . 0.0 109.511 172.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.4 t -134.47 157.07 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 125.5 1.52 . . . . 0.0 108.885 -166.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 m -147.49 155.12 41.58 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 120.315 -1.491 . . . . 0.0 111.402 162.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.0 mm -120.57 129.13 75.93 Favored 'Isoleucine or valine' 0 C--O 1.243 0.752 0 C-N-CA 126.621 1.968 . . . . 0.0 108.836 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.429 ' HA ' ' HA ' ' A' ' 39' ' ' SER . 5.3 mp -101.77 -63.87 1.11 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 126.48 1.912 . . . . 0.0 109.532 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.412 ' CD ' ' HZ1' ' A' ' 38' ' ' LYS . 17.0 mm-40 -117.34 103.31 10.02 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 124.395 1.078 . . . . 0.0 109.541 -177.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.21 56.08 0.46 Allowed 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.615 -0.678 . . . . 0.0 111.219 166.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.06 38.14 0.79 Allowed Glycine 0 CA--C 1.532 1.13 0 C-N-CA 125.815 1.674 . . . . 0.0 113.644 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -145.94 -93.65 0.09 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.138 1.775 . . . . 0.0 109.264 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.6 t -109.94 177.11 4.82 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 123.243 1.497 . . . . 0.0 113.107 170.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -53.81 -6.03 0.08 Allowed 'General case' 0 CA--C 1.543 0.708 1 C-N-CA 134.012 4.925 . . . . 0.0 121.36 -168.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . 0.252 13.1 tt -48.21 -59.47 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 CA-C-N 123.401 2.819 . . . . 0.0 114.982 -154.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.298 0.1 OUTLIER -64.26 -2.26 2.06 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 116.758 2.133 . . . . 0.0 116.758 178.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.4 p -90.7 -29.65 17.57 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.194 1.398 . . . . 0.0 112.853 167.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.552 ' HG1' ' N ' ' A' ' 2' ' ' ALA . 9.6 t -108.13 -47.12 3.61 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.217 1.407 . . . . 0.0 112.575 -176.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -94.6 67.03 3.3 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 127.735 2.414 . . . . 0.0 105.467 168.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.146 0 C-N-CA 125.943 1.697 . . . . 0.0 114.127 -161.353 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 117.159 -1.4 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -58.26 3.81 0.13 Allowed 'Trans proline' 0 C--N 1.351 0.661 1 C-N-CA 125.468 4.112 . . . . 0.0 119.546 -172.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.35 -29.58 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 124.027 0.931 . . . . 0.0 110.985 160.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -78.86 85.86 4.8 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 156.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -93.3 -149.38 0.26 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.43 1.492 . . . . 0.0 112.772 -171.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -54.65 -31.66 57.92 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.568 1.547 . . . . 0.0 113.097 178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.45 -35.02 79.66 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 118.772 0.715 . . . . 0.0 112.205 175.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.4 m -76.12 -48.22 21.48 Favored 'General case' 0 CA--C 1.517 -0.302 0 C-N-CA 124.629 1.172 . . . . 0.0 111.399 -174.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.2 -47.74 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.962 170.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -54.08 -57.81 9.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 119.294 0.952 . . . . 0.0 112.198 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -53.66 -58.53 6.87 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.799 1.639 . . . . 0.0 111.848 176.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -60.93 -37.48 82.46 Favored 'General case' 0 C--N 1.341 0.238 0 C-N-CA 124.798 1.239 . . . . 0.0 111.545 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.99 -42.16 81.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 118.136 -0.935 . . . . 0.0 112.158 177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.49 87.96 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 119.793 1.178 . . . . 0.0 111.942 173.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 tt -53.99 -42.16 68.7 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.369 1.468 . . . . 0.0 111.934 173.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.9 t -60.02 -62.71 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 124.994 1.317 . . . . 0.0 111.303 166.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mt -49.84 -32.71 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.765 1.626 . . . . 0.0 113.702 -176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -28.79 8.2 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 125.079 1.352 . . . . 0.0 114.431 171.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 p -144.92 -6.68 0.67 Allowed 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 116.119 1.896 . . . . 0.0 116.119 178.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.54 -165.56 33.12 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 127.058 2.266 . . . . 0.0 113.979 175.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.95 113.41 13.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.411 1.085 . . . . 0.0 110.072 -176.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -131.34 174.37 10.13 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.619 1.568 . . . . 0.0 113.656 -170.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -145.86 155.13 42.69 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.698 1.999 . . . . 0.0 111.131 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.0 mt -140.81 127.06 19.71 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.847 1.659 . . . . 0.0 113.396 -167.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.49 151.1 25.39 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.443 1.021 . . . . 0.0 112.758 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.524 ' CE2' HD21 ' A' ' 56' ' ' LEU . 37.8 t80 -50.52 -58.47 5.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.742 1.217 . . . . 0.0 112.998 -164.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -56.12 -44.51 79.22 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.746 0.818 . . . . 0.0 112.299 178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -60.7 -50.24 74.28 Favored 'General case' 0 C--O 1.242 0.661 0 C-N-CA 126.588 1.955 . . . . 0.0 112.625 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.264 10.0 t -60.84 -62.03 2.15 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-O 116.668 -1.634 . . . . 0.0 108.856 170.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG21 ' CE1' ' A' ' 27' ' ' TYR . 71.9 t -48.21 -46.46 13.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 121.405 1.911 . . . . 0.0 113.555 -176.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -51.36 -57.4 9.02 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.346 1.058 . . . . 0.0 111.119 169.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.3 m -64.63 -31.51 72.77 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.178 1.391 . . . . 0.0 113.849 -177.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.6 mt -74.21 -39.18 63.29 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.891 0.877 . . . . 0.0 110.817 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -65.18 -24.01 67.26 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.94 0.896 . . . . 0.0 112.833 171.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -72.5 -1.99 17.95 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 163.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.18 -33.25 0.94 Allowed Glycine 0 CA--C 1.534 1.246 0 C-N-CA 126.675 2.083 . . . . 0.0 116.169 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 ttpp -83.24 8.25 13.9 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.202 1.801 . . . . 0.0 115.233 -169.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.8 p -62.12 173.38 1.13 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.457 1.503 . . . . 0.0 112.03 165.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.77 -26.31 0.19 Allowed 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -173.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD11 HD11 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -147.16 128.93 15.25 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.72 1.208 . . . . 0.0 110.028 169.798 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.521 HG23 HG21 ' A' ' 65' ' ' THR . 17.3 pt -104.49 142.56 17.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.551 1.141 . . . . 0.0 111.667 168.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.471 HD11 HD11 ' A' ' 41' ' ' LEU . 24.1 mm -115.6 137.02 50.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.626 1.17 . . . . 0.0 108.441 167.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 22.4 mt -119.5 86.14 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 175.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.44 12.49 34.85 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.773 1.629 . . . . 0.0 112.066 164.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.82 152.56 24.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.652 1.181 . . . . 0.0 111.161 169.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -73.3 76.35 1.34 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.498 1.519 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.8 m -106.6 104.84 52.7 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 125.574 1.55 . . . . 0.0 111.75 -157.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.89 164.23 35.44 Favored 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 122.228 1.952 . . . . 0.0 112.05 177.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.3 t -50.85 -50.27 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.622 1.569 . . . . 0.0 113.088 -168.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.78 -47.4 84.86 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.804 -0.56 . . . . 0.0 111.036 178.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -42.51 95.14 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.353 1.461 . . . . 0.0 110.801 -178.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -64.76 -43.53 93.02 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.917 0.781 . . . . 0.0 109.198 175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.0 p -57.28 -35.36 69.7 Favored 'General case' 0 C--O 1.223 -0.321 0 C-N-CA 123.38 0.672 . . . . 0.0 112.339 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -68.37 -44.92 74.16 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.362 0.665 . . . . 0.0 111.605 174.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.524 HD21 ' CE2' ' A' ' 27' ' ' TYR . 6.9 mt -57.75 -44.31 86.02 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 172.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -63.34 -40.81 98.33 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.492 2.317 . . . . 0.0 110.979 176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.99 -47.39 86.69 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.482 1.513 . . . . 0.0 111.748 170.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.41 ' CE2' HG22 ' A' ' 31' ' ' VAL . 24.3 m-85 -64.88 -39.09 92.99 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 121.042 -1.036 . . . . 0.0 112.659 174.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.11 -36.73 71.0 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.969 0.908 . . . . 0.0 112.854 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 59.1 ttp -73.46 -41.15 63.55 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.448 1.899 . . . . 0.0 113.644 173.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.4 mt -64.49 -60.79 2.74 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.714 1.206 . . . . 0.0 111.109 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 86.2 p -58.23 176.59 0.16 Allowed 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.088 0.955 . . . . 0.0 110.62 162.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -112.24 75.54 0.92 Allowed 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.036 -1.665 . . . . 0.0 108.998 179.455 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.521 HG21 HG23 ' A' ' 42' ' ' ILE . 78.2 m -135.98 129.15 31.65 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 113.935 -1.484 . . . . 0.0 111.472 -156.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -78.53 157.36 28.85 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.368 1.067 . . . . 0.0 110.91 173.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.8 t -120.99 142.69 36.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.559 1.143 . . . . 0.0 111.244 -177.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -139.34 156.41 47.04 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.616 1.166 . . . . 0.0 112.641 168.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -130.07 120.1 24.12 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.715 1.606 . . . . 0.0 111.123 -172.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -145.56 39.08 1.15 Allowed 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.607 0.763 . . . . 0.0 111.948 -167.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -57.04 -28.29 62.4 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.298 -1.501 . . . . 0.0 113.931 -176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -70.19 1.98 16.26 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-O 118.812 -0.993 . . . . 0.0 115.107 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.07 26.96 11.41 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 126.851 2.167 . . . . 0.0 113.439 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -44.05 -33.5 1.47 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 128.46 2.704 . . . . 0.0 114.775 -178.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -119.38 -18.75 8.47 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 126.968 2.107 . . . . 0.0 112.384 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -86.29 -45.93 10.79 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 128.073 2.549 . . . . 0.0 109.057 -169.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.9 -32.44 72.07 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.63 -0.668 . . . . 0.0 110.504 164.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.03 -22.81 29.58 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.553 0.597 . . . . 0.0 113.486 164.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.7 m -97.2 -23.02 16.38 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.904 1.281 . . . . 0.0 111.71 177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.2 -48.74 66.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.03 0.932 . . . . 0.0 111.616 165.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.2 m -72.85 -29.87 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 122.806 0.443 . . . . 0.0 111.017 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.07 -43.16 1.95 Allowed Glycine 0 CA--C 1.531 1.062 0 C-N-CA 126.355 1.931 . . . . 0.0 115.179 159.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 59.19 0.26 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.443 1.897 . . . . 0.0 114.233 -174.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 61.0 mt 69.83 -15.36 0.32 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 129.966 3.306 . . . . 0.0 116.36 173.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.33 151.93 30.74 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.489 1.04 . . . . 0.0 113.118 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.78 172.57 14.9 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 129.028 2.931 . . . . 0.0 108.144 169.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.2 t 59.3 69.43 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 CA-C-O 123.033 1.396 . . . . 0.0 108.12 -170.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.67 69.78 2.67 Favored Glycine 0 CA--C 1.524 0.622 0 CA-C-N 115.04 -0.982 . . . . 0.0 114.608 -146.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -77.1 119.53 25.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 118.274 1.037 . . . . 0.0 109.548 159.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.4 t -127.38 157.07 39.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 C-N-CA 126.446 1.899 . . . . 0.0 107.868 -175.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -146.65 150.14 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 119.947 -1.721 . . . . 0.0 110.373 160.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.5 mm -113.43 131.22 65.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 C-N-CA 126.217 1.807 . . . . 0.0 107.801 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -92.53 -54.14 3.91 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.621 1.568 . . . . 0.0 109.309 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -134.13 122.03 22.3 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.727 1.211 . . . . 0.0 110.911 177.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.08 75.01 5.61 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.775 1.23 . . . . 0.0 111.514 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -69.68 39.29 0.38 Allowed Glycine 0 CA--C 1.536 1.376 0 C-N-CA 125.267 1.413 . . . . 0.0 115.676 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -154.1 -90.07 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.819 1.647 . . . . 0.0 109.541 162.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.3 t -107.09 158.39 17.1 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.053 1.341 . . . . 0.0 112.242 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -77.95 34.35 0.19 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 126.687 1.995 . . . . 0.0 116.274 -152.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.8 tt -52.59 -35.3 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -167.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.411 0.0 OUTLIER -65.02 -16.8 63.85 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 116.829 2.159 . . . . 0.0 116.829 171.482 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . 0.3 8.8 t -106.44 -78.04 0.59 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 120.545 1.521 . . . . 0.0 111.526 157.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.1 m -75.57 99.76 4.37 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 120.5 1.5 . . . . 0.0 109.979 176.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.2 tp -64.87 -22.81 67.06 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.29 0 C-N-CA 128.407 2.683 . . . . 0.0 114.627 179.562 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 119.283 -0.389 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.48 67.14 4.54 Favored 'Trans proline' 0 CA--C 1.547 1.167 0 C-N-CA 123.76 2.973 . . . . 0.0 111.625 171.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.04 156.77 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.75 1.62 . . . . 0.0 111.525 -179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.522 ' HG2' HE22 ' A' ' 7' ' ' GLN . 5.7 ttpp -57.65 67.78 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 128.377 2.671 . . . . 0.0 110.616 161.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 p -95.09 -15.84 23.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 115.855 1.798 . . . . 0.0 115.855 -157.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.522 HE22 ' HG2' ' A' ' 5' ' ' LYS . 4.7 pm0 -52.98 -36.85 60.73 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 116.472 2.027 . . . . 0.0 116.472 -160.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.74 -42.84 9.91 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 122.049 0.928 . . . . 0.0 111.755 173.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.5 m -59.94 -39.23 84.81 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 129.062 2.945 . . . . 0.0 112.044 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -44.81 58.64 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 C-N-CA 125.679 1.592 . . . . 0.0 110.694 175.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -62.53 -55.16 30.03 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.773 0.715 . . . . 0.0 110.777 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -62.22 -46.57 88.28 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 123.216 0.606 . . . . 0.0 111.96 177.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -68.59 -37.17 79.6 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 118.446 0.566 . . . . 0.0 112.457 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.91 -36.64 82.73 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.48 -0.772 . . . . 0.0 111.233 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -62.14 -44.31 96.9 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.645 1.111 . . . . 0.0 112.206 169.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 tt -55.3 -46.76 76.24 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.186 0.994 . . . . 0.0 110.44 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.2 t -55.3 -60.87 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.301 1.041 . . . . 0.0 111.771 168.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.413 HG23 ' CE1' ' A' ' 23' ' ' TYR . 4.1 mt -55.02 -24.33 14.35 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.66 0 C-N-CA 125.716 1.606 . . . . 0.0 113.849 -176.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -49.95 -34.73 21.61 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.07 1.348 . . . . 0.0 113.737 171.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.8 p -149.29 -5.03 0.39 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.577 2.065 . . . . 0.0 116.577 172.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.31 178.08 53.06 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 124.846 1.212 . . . . 0.0 113.08 176.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -106.42 109.6 21.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.611 1.564 . . . . 0.0 110.446 -173.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.413 ' CE1' HG23 ' A' ' 18' ' ' ILE . 41.5 p90 -123.75 168.36 12.81 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.098 1.759 . . . . 0.0 112.913 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -141.94 152.16 43.24 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.332 1.853 . . . . 0.0 110.733 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.6 mt -137.14 118.93 15.11 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.853 1.261 . . . . 0.0 113.326 -162.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.53 160.85 36.91 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.647 1.118 . . . . 0.0 113.676 174.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.405 ' CE1' HD21 ' A' ' 56' ' ' LEU . 11.6 t80 -54.98 -62.39 1.69 Allowed 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.45 1.1 . . . . 0.0 113.738 -163.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -54.31 -46.36 72.79 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.932 0.893 . . . . 0.0 111.928 178.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m -55.08 -55.07 35.13 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 126.166 1.786 . . . . 0.0 111.815 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -65.61 -46.91 77.5 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 116.183 -1.865 . . . . 0.0 109.858 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.7 t -52.37 -51.08 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-N 122.88 2.582 . . . . 0.0 111.417 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -50.06 -48.48 52.96 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.85 1.26 . . . . 0.0 112.301 170.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -71.26 -46.01 61.91 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.308 1.443 . . . . 0.0 113.029 -175.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.7 mt -66.42 -17.44 64.78 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.612 1.965 . . . . 0.0 112.069 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 -52.1 5.94 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.517 1.527 . . . . 0.0 113.042 164.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -100.25 0.05 39.55 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -165.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -144.28 165.97 27.3 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 120.292 1.405 . . . . 0.0 114.288 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 70.71 4.43 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.237 1.415 . . . . 0.0 111.377 -176.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.0 p -64.42 150.6 46.11 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 121.516 -0.74 . . . . 0.0 112.173 170.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 tptp -138.42 -22.44 1.01 Allowed 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -144.77 130.08 18.72 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.21 1.404 . . . . 0.0 110.199 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.55 HG23 HG21 ' A' ' 65' ' ' THR . 16.4 pt -109.71 124.38 66.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 125.069 1.348 . . . . 0.0 110.968 165.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.4 mm -89.84 123.71 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 C-N-CA 124.588 1.155 . . . . 0.0 107.922 162.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.9 mt -109.92 108.75 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 107.192 -1.41 . . . . 0.0 107.192 166.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.0 51.2 1.68 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 127.276 2.231 . . . . 0.0 110.735 -176.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -142.07 169.38 17.7 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.477 1.511 . . . . 0.0 110.598 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.59 22.1 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 126.504 1.922 . . . . 0.0 113.657 176.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.6 m -52.97 109.8 1.65 Allowed Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 129.88 3.272 . . . . 0.0 112.022 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -78.25 173.49 13.79 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 123.6 2.867 . . . . 0.0 112.794 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.3 t -50.61 -48.41 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.354 1.862 . . . . 0.0 114.214 -167.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.92 -45.97 76.25 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.479 1.036 . . . . 0.0 111.09 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -46.14 87.71 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 126.373 1.869 . . . . 0.0 110.44 -178.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -46.75 86.73 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.255 0.622 . . . . 0.0 110.132 174.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.2 m -59.47 -35.64 74.46 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.178 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -65.66 -47.46 75.45 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.526 1.057 . . . . 0.0 112.368 172.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.405 HD21 ' CE1' ' A' ' 27' ' ' TYR . 4.2 mt -60.77 -41.88 96.4 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.088 -1.007 . . . . 0.0 112.687 175.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -60.98 -39.33 89.23 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.96 2.104 . . . . 0.0 111.694 172.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -60.2 -48.71 80.59 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.761 1.225 . . . . 0.0 111.347 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -64.36 -37.72 88.51 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.048 -1.032 . . . . 0.0 112.718 174.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.47 -37.04 74.66 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 170.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.9 ttp -77.94 -35.32 50.54 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.892 2.077 . . . . 0.0 113.891 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.5 -56.46 8.3 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.837 1.255 . . . . 0.0 110.802 173.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 83.8 p -60.55 -177.68 0.08 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.044 0.538 . . . . 0.0 110.18 157.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.423 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -116.94 66.18 0.72 Allowed 'General case' 0 N--CA 1.476 0.835 0 O-C-N 119.438 -2.039 . . . . 0.0 109.326 -178.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.55 HG21 HG23 ' A' ' 42' ' ' ILE . 87.8 m -125.47 130.49 51.92 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 124.775 1.23 . . . . 0.0 110.388 -156.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.99 149.34 32.27 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.745 -0.597 . . . . 0.0 110.321 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -113.01 131.94 63.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.921 1.288 . . . . 0.0 110.63 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -129.92 103.14 6.62 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.671 1.188 . . . . 0.0 111.274 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -79.97 76.49 6.68 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.734 1.214 . . . . 0.0 112.887 -177.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.43 16.26 1.08 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.745 1.618 . . . . 0.0 111.261 170.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -57.21 -27.69 62.21 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.419 1.488 . . . . 0.0 111.376 154.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.37 124.72 7.76 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 123.637 0.637 . . . . 0.0 112.261 169.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.67 -57.2 4.21 Favored Glycine 0 N--CA 1.472 1.082 0 C-N-CA 124.738 1.161 . . . . 0.0 112.555 177.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' CG ' ' H ' ' A' ' 75' ' ' ASN . 6.1 t-20 61.07 -158.14 0.33 Allowed 'General case' 0 CA--C 1.556 1.199 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 160.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.415 ' H ' ' CG ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER 61.53 -40.36 0.13 Allowed 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 129.367 3.067 . . . . 0.0 116.187 -171.545 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -83.69 -10.16 58.36 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -154.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.5 tp -65.71 -24.06 66.9 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.442 0.905 . . . . 0.0 113.442 -173.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.66 -42.51 45.0 Favored Glycine 0 C--N 1.341 0.818 0 C-N-CA 124.11 0.862 . . . . 0.0 113.664 164.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 m -69.04 -16.12 63.62 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.153 1.381 . . . . 0.0 111.509 177.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -90.42 -52.07 5.1 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.484 1.114 . . . . 0.0 112.942 171.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.5 m -73.71 -18.39 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.87 23.97 73.36 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.632 1.587 . . . . 0.0 114.17 174.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -139.4 157.61 45.57 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.424 1.112 . . . . 0.0 112.672 -165.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -52.45 -39.91 61.64 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 127.714 2.406 . . . . 0.0 114.761 -166.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -51.59 -34.22 36.16 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.544 1.537 . . . . 0.0 114.339 -171.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . 0.25 37.2 ttt85 55.4 -33.85 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 130.526 3.531 . . . . 0.0 117.793 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.1 m -123.3 162.67 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 127.35 2.26 . . . . 0.0 109.59 172.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 148.49 -171.63 28.84 Favored Glycine 0 CA--C 1.528 0.906 0 CA-C-O 121.645 0.58 . . . . 0.0 114.011 -175.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.0 p -100.97 135.76 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 124.666 1.186 . . . . 0.0 109.466 165.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.4 t -134.03 109.52 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 C-N-CA 126.41 1.884 . . . . 0.0 107.401 -174.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 m -113.19 141.51 46.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 -176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.0 mm -116.76 131.51 69.19 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 C-N-CA 125.258 1.423 . . . . 0.0 108.609 -174.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mp -103.44 -60.53 1.55 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 126.288 1.835 . . . . 0.0 109.88 -176.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.85 108.39 12.94 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.168 1.387 . . . . 0.0 109.114 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.02 -15.0 62.95 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -174.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -52.24 74.42 0.01 OUTLIER Glycine 0 CA--C 1.532 1.099 0 C-N-CA 127.478 2.466 . . . . 0.0 117.8 -148.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -153.39 -56.63 0.12 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.394 2.677 . . . . 0.0 107.033 172.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.3 t -106.68 -164.97 1.04 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.04 0.936 . . . . 0.0 110.108 144.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -105.17 -3.01 23.5 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 115.526 1.676 . . . . 0.0 115.526 -168.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.4 tt -39.09 -39.07 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 117.399 2.37 . . . . 0.0 117.399 -137.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -9.04 0.24 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 116.805 2.15 . . . . 0.0 116.805 168.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.7 p -93.09 -57.94 2.47 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 120.643 1.565 . . . . 0.0 111.689 164.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 3.2 p -72.74 -27.99 62.37 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.129 1.371 . . . . 0.0 113.966 -171.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -99.23 -6.85 27.35 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.894 1.678 . . . . 0.0 113.139 -176.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.992 0 C-N-CA 125.423 1.489 . . . . 0.0 113.283 177.265 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 118.466 -0.778 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -71.31 73.15 2.16 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 124.14 3.227 . . . . 0.0 112.025 176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 14.7 p -52.99 117.88 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 C-N-CA 125.712 1.605 . . . . 0.0 112.471 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.92 5.96 46.52 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.369 1.468 . . . . 0.0 114.935 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.2 t -63.38 95.37 0.09 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 159.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -52.83 -41.51 64.28 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.099 1.359 . . . . 0.0 111.472 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -49.2 -66.38 0.41 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.034 1.334 . . . . 0.0 110.099 168.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -65.94 -38.76 89.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 118.599 -0.715 . . . . 0.0 112.299 -163.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -49.69 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 119.042 0.837 . . . . 0.0 110.62 171.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.6 t-20 -57.66 -54.03 51.43 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.936 1.294 . . . . 0.0 111.569 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.97 -52.4 63.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 126.535 1.934 . . . . 0.0 112.088 174.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 54.4 tttp -64.74 -32.02 73.51 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 118.784 0.72 . . . . 0.0 112.135 176.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.3 tt -66.81 -32.22 73.35 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.41 -1.432 . . . . 0.0 112.656 173.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.1 -38.9 93.0 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.532 1.06 . . . . 0.0 112.575 164.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.19 -28.28 67.83 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.587 0.755 . . . . 0.0 112.081 171.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 t -66.39 -65.01 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 CA-C-N 119.495 1.043 . . . . 0.0 109.217 163.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.2 mt -57.33 -19.92 11.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 C-N-CA 125.73 1.612 . . . . 0.0 113.993 -168.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -53.58 -31.63 47.54 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 119.618 1.099 . . . . 0.0 113.851 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.4 p -155.92 -5.59 0.12 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 -171.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -102.48 156.82 18.36 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 125.563 1.554 . . . . 0.0 113.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -85.7 112.7 21.28 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 123.503 0.721 . . . . 0.0 110.988 -176.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -113.08 169.23 9.08 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.583 1.553 . . . . 0.0 112.812 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -141.95 153.46 44.36 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 126.211 1.804 . . . . 0.0 110.921 172.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 78.5 mt -134.85 127.21 30.32 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.629 1.571 . . . . 0.0 113.75 -167.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.45 149.73 10.69 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.272 1.415 . . . . 0.0 112.93 173.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.453 ' CE1' HD21 ' A' ' 56' ' ' LEU . 24.7 t80 -45.25 -55.93 5.36 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 126.18 1.792 . . . . 0.0 112.973 -164.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -39.94 -59.92 1.12 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.45 1.9 . . . . 0.0 113.043 171.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -70.16 -43.87 69.97 Favored 'General case' 0 C--O 1.242 0.695 0 C-N-CA 127.856 2.463 . . . . 0.0 112.149 -166.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.256 8.8 t -60.79 -64.74 0.85 Allowed 'General case' 0 C--O 1.222 -0.368 0 CA-C-O 116.216 -1.85 . . . . 0.0 108.64 166.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.0 t -49.26 -45.58 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 121.823 2.102 . . . . 0.0 113.464 -174.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -43.78 -66.07 0.43 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.385 1.474 . . . . 0.0 111.147 164.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 m -62.69 -31.57 72.49 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.487 1.515 . . . . 0.0 113.873 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 19.3 mt -72.6 -45.86 57.06 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.659 1.184 . . . . 0.0 111.081 174.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 mtt-85 -62.83 -31.5 72.51 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.241 1.017 . . . . 0.0 112.145 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -72.61 -4.24 29.68 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.565 1.146 . . . . 0.0 114.034 167.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.65 2.56 51.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.324 1.44 . . . . 0.0 115.306 176.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.28 0.05 57.41 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.628 1.214 . . . . 0.0 113.626 -167.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 28.9 p -69.46 161.4 29.53 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.162 0.985 . . . . 0.0 112.968 166.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tppm? -130.95 -16.95 3.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.079 0.951 . . . . 0.0 113.01 158.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.572 HD11 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -145.04 138.56 26.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.071 1.348 . . . . 0.0 109.594 176.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.415 HG23 HG21 ' A' ' 65' ' ' THR . 23.0 pt -116.64 142.7 29.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 124.746 1.218 . . . . 0.0 111.336 165.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.572 HD11 HD11 ' A' ' 41' ' ' LEU . 40.4 mm -117.28 110.76 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 126.248 1.819 . . . . 0.0 109.079 177.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.5 mt -99.98 97.46 5.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.24 17.09 17.82 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.965 2.106 . . . . 0.0 111.497 174.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.62 148.61 30.2 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.852 -1.155 . . . . 0.0 108.481 160.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -77.42 87.59 3.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 171.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 60.7 m -105.07 122.33 43.49 Favored Pre-proline 0 CA--C 1.539 0.525 0 C-N-CA 126.129 1.772 . . . . 0.0 112.512 -150.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -72.7 156.83 53.01 Favored 'Trans proline' 0 CA--C 1.541 0.861 0 C-N-CA 122.533 2.155 . . . . 0.0 112.331 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.7 t -50.56 -54.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.827 1.651 . . . . 0.0 113.178 -167.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 99.0 mt -63.37 -22.22 66.75 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.23 -40.69 12.02 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 121.376 -0.828 . . . . 0.0 110.505 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -58.41 -49.13 78.39 Favored 'General case' 0 C--N 1.347 0.486 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 169.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.2 m -77.93 -19.75 54.06 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.502 -1.237 . . . . 0.0 113.462 -170.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -67.08 -41.24 86.67 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 120.993 1.724 . . . . 0.0 112.644 160.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD21 ' CE1' ' A' ' 27' ' ' TYR . 5.7 mt -60.81 -44.0 97.46 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-N 120.07 1.304 . . . . 0.0 113.597 172.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -56.15 -44.43 79.25 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 127.747 2.419 . . . . 0.0 110.269 172.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -59.99 -46.58 88.99 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.194 1.398 . . . . 0.0 112.148 171.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.13 -39.23 92.75 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 120.067 1.303 . . . . 0.0 113.092 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.78 -33.52 68.63 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 170.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 50.7 ttp -80.29 -36.26 34.67 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.62 1.968 . . . . 0.0 113.92 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.1 mt -67.06 -55.35 14.72 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.254 1.422 . . . . 0.0 110.914 173.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.3 p -61.4 -175.91 0.06 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.239 0.615 . . . . 0.0 110.245 157.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -122.2 89.64 3.15 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 120.148 -1.595 . . . . 0.0 108.249 172.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.415 HG21 HG23 ' A' ' 42' ' ' ILE . 81.1 m -143.24 138.52 29.69 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.132 1.373 . . . . 0.0 110.846 -157.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -78.33 124.0 27.61 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.537 1.135 . . . . 0.0 110.47 174.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.4 t -85.72 127.11 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.156 0.582 . . . . 0.0 110.135 167.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -122.23 120.24 33.56 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.071 0.948 . . . . 0.0 111.952 167.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -84.14 97.68 9.49 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.551 1.14 . . . . 0.0 110.856 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -79.95 -15.61 56.95 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.523 1.129 . . . . 0.0 112.498 177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.3 tt0 -51.95 91.44 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 127.287 2.235 . . . . 0.0 113.688 -160.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -93.14 5.43 75.32 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.717 2.103 . . . . 0.0 114.378 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.97 -57.91 3.12 Favored Glycine 0 CA--C 1.533 1.202 0 CA-C-N 118.924 1.362 . . . . 0.0 111.888 -170.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -67.79 -39.77 83.99 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 128.126 2.57 . . . . 0.0 113.601 174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 73.8 m-20 51.46 57.08 6.97 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.518 2.327 . . . . 0.0 115.277 174.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 76' ' ' GLU . 5.0 pm0 -49.73 0.6 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 130.758 3.623 . . . . 0.0 117.559 171.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.8 tp -61.5 -18.34 58.64 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.458 2.303 . . . . 0.0 114.286 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.74 -32.79 8.6 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.987 0.803 . . . . 0.0 112.774 165.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 m -56.62 -48.31 77.75 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.67 1.588 . . . . 0.0 111.987 175.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.79 -43.13 84.76 Favored 'General case' 0 C--N 1.341 0.22 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.3 m -88.92 -20.88 7.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -170.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.58 -37.44 1.02 Allowed Glycine 0 CA--C 1.534 1.28 0 C-N-CA 126.078 1.799 . . . . 0.0 113.496 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -72.1 90.82 1.21 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.348 1.459 . . . . 0.0 108.132 166.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.9 mt -63.19 34.0 0.01 OUTLIER 'General case' 0 CA--C 1.555 1.151 0 C-N-CA 128.007 2.523 . . . . 0.0 116.95 -167.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.14 -22.16 60.46 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 120.346 -1.471 . . . . 0.0 114.69 177.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 63.94 -79.79 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 127.875 2.47 . . . . 0.0 112.761 163.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.6 t -79.35 83.06 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 C-N-CA 125.339 1.456 . . . . 0.0 108.261 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -164.58 169.76 39.45 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 115.298 0.879 . . . . 0.0 115.298 -167.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.6 p -101.5 134.71 41.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 C-N-CA 124.48 1.112 . . . . 0.0 111.23 176.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.7 t -114.0 159.26 14.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.647 1.579 . . . . 0.0 107.398 170.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.9 m -148.89 150.46 33.0 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 119.522 -1.986 . . . . 0.0 109.901 165.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.455 HG12 HD12 ' A' ' 41' ' ' LEU . 46.6 mm -111.93 130.11 66.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 C-N-CA 125.196 1.398 . . . . 0.0 109.199 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.4 mp -95.16 -45.95 6.98 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.613 1.965 . . . . 0.0 111.161 -176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -143.67 116.11 8.57 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 126.488 1.915 . . . . 0.0 109.324 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.96 76.39 0.64 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.574 1.15 . . . . 0.0 112.648 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -68.26 58.66 0.42 Allowed Glycine 0 CA--C 1.533 1.17 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 156.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 98' ' ' SER . 31.8 t70 -111.84 -120.12 0.29 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 128.294 2.638 . . . . 0.0 108.599 -169.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.506 ' H ' ' CG ' ' A' ' 97' ' ' ASP . 2.0 t -108.37 -80.77 0.57 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 130.473 3.509 . . . . 0.0 105.218 139.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.47 -14.77 12.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 130.125 3.37 . . . . 0.0 118.832 -169.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.425 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 11.4 tt -38.63 -59.38 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -139.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.5 HD22 ' H ' ' A' ' 101' ' ' LEU 0.352 0.0 OUTLIER -78.38 0.84 24.07 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 -171.4 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 30.7 p -80.17 -34.36 37.62 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.655 1.182 . . . . 0.0 112.281 159.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.3 p -105.21 -28.95 10.65 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.434 1.494 . . . . 0.0 113.506 -169.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.04 -10.17 59.41 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.87 1.668 . . . . 0.0 113.027 173.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.153 0 C-N-CA 125.477 1.511 . . . . 0.0 114.056 -169.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.243 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -45.4 118.81 2.28 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.957 3.105 . . . . 0.0 112.157 172.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.6 t -48.96 -55.11 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.586 1.554 . . . . 0.0 113.058 -156.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 5.47 0.73 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.3 p -90.12 -23.81 21.27 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-N 119.594 1.088 . . . . 0.0 112.999 161.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -77.14 -26.32 52.98 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 114.916 1.45 . . . . 0.0 114.916 -160.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.08 -39.52 25.56 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 120.127 1.331 . . . . 0.0 111.558 170.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m -65.95 -48.78 70.19 Favored 'General case' 0 N--CA 1.462 0.153 0 C-N-CA 126.133 1.773 . . . . 0.0 111.514 -177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.53 -49.15 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.122 0.969 . . . . 0.0 108.965 173.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -64.68 -50.74 65.83 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.865 1.266 . . . . 0.0 111.86 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -57.27 -52.62 64.59 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.944 0.898 . . . . 0.0 111.295 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.438 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 50.8 tttp -65.6 -33.73 76.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.018 0.927 . . . . 0.0 112.229 -178.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 tt -69.68 -43.95 71.48 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 124.825 1.25 . . . . 0.0 111.373 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.74 98.31 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.661 1.118 . . . . 0.0 111.592 172.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.9 tt -53.71 -42.98 68.62 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.257 1.023 . . . . 0.0 111.518 171.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 t -63.63 -53.3 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.223 1.409 . . . . 0.0 112.809 171.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.0 mt -54.9 -19.85 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 126.648 1.979 . . . . 0.0 113.613 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -48.02 -37.62 15.26 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.816 1.646 . . . . 0.0 113.771 165.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.6 p -150.8 -12.06 0.23 Allowed 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 116.961 2.208 . . . . 0.0 116.961 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.43 160.45 45.71 Favored Glycine 0 CA--C 1.534 1.256 0 CA-C-N 119.861 1.209 . . . . 0.0 112.765 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HB2' ' H ' ' A' ' 94' ' ' GLU . 3.9 mmmm -82.6 110.43 17.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.602 1.161 . . . . 0.0 111.987 -175.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -119.5 175.81 5.66 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.546 1.539 . . . . 0.0 113.179 173.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -148.2 147.39 29.36 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.45 1.9 . . . . 0.0 110.487 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.423 HD23 HG13 ' A' ' 90' ' ' VAL . 74.0 mt -132.42 126.42 33.07 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.046 1.339 . . . . 0.0 113.684 -166.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.51 149.46 16.49 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 124.898 1.237 . . . . 0.0 113.038 175.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.465 ' CE2' HD21 ' A' ' 56' ' ' LEU . 36.9 t80 -48.87 -55.68 10.98 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.447 1.499 . . . . 0.0 112.726 -164.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -39.74 -58.58 1.31 Allowed 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 126.659 1.983 . . . . 0.0 112.352 170.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.6 m -65.96 -53.42 39.3 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.449 1.9 . . . . 0.0 110.775 -170.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.4 t -56.44 -58.68 6.97 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 116.84 -1.552 . . . . 0.0 109.528 173.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.44 HG21 ' CE1' ' A' ' 27' ' ' TYR . 71.3 t -49.9 -48.41 22.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 121.861 2.119 . . . . 0.0 113.097 -178.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -55.16 -51.7 65.65 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.91 0.777 . . . . 0.0 111.916 172.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.6 m -60.56 -42.39 96.48 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.854 1.662 . . . . 0.0 113.032 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.8 mt -71.19 -39.49 71.77 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.613 1.165 . . . . 0.0 111.507 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -73.64 -37.49 65.32 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 118.368 -0.825 . . . . 0.0 112.409 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -106.12 -13.45 15.44 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 116.551 2.056 . . . . 0.0 116.551 -174.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -132.35 175.08 20.07 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-N 120.473 1.488 . . . . 0.0 115.52 -168.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -78.93 53.34 1.38 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.378 1.871 . . . . 0.0 113.23 -173.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 63.3 p -56.18 131.16 47.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.738 1.215 . . . . 0.0 113.251 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -113.86 -34.27 5.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -144.58 135.08 24.56 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.238 1.415 . . . . 0.0 109.652 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.0 pt -113.7 131.26 66.06 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.705 0.802 . . . . 0.0 111.266 170.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.2 mm -96.21 127.24 48.48 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 C-N-CA 125.75 1.62 . . . . 0.0 107.746 170.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.2 mt -123.82 90.02 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 107.59 -1.263 . . . . 0.0 107.59 170.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.46 61.99 0.64 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.725 1.61 . . . . 0.0 110.881 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.22 165.38 27.61 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.248 1.019 . . . . 0.0 110.984 -176.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.2 53.84 0.84 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.618 1.167 . . . . 0.0 110.747 170.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.9 m -70.12 117.98 59.45 Favored Pre-proline 0 CA--C 1.541 0.629 0 C-N-CA 126.255 1.822 . . . . 0.0 113.474 -162.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.77 149.19 51.64 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.242 2.628 . . . . 0.0 113.122 171.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.6 t -53.63 -51.0 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 125.065 1.346 . . . . 0.0 112.747 -172.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 98.2 mt -64.96 -21.19 66.8 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.08 -43.84 10.22 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.229 -0.92 . . . . 0.0 110.041 -179.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.99 -50.45 73.35 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 118.699 -0.667 . . . . 0.0 109.444 170.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.7 m -72.66 -21.44 61.08 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -65.99 -42.29 89.96 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 121.562 1.983 . . . . 0.0 112.318 163.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD21 ' CE2' ' A' ' 27' ' ' TYR . 8.3 mt -63.11 -41.78 99.43 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.795 -1.19 . . . . 0.0 113.255 174.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -56.79 -43.08 80.55 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 127.029 2.132 . . . . 0.0 111.281 171.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -57.97 -51.09 71.08 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.446 1.099 . . . . 0.0 111.39 170.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -63.45 -35.02 79.06 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.365 -0.834 . . . . 0.0 113.157 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.02 -43.31 99.11 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.496 1.043 . . . . 0.0 113.21 167.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 9.3 tmm? -60.23 -22.72 63.37 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.365 1.866 . . . . 0.0 113.202 177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.1 mt -63.39 82.63 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 122.568 1.175 . . . . 0.0 109.404 158.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.8 p -61.23 23.82 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 130.81 3.644 . . . . 0.0 119.608 -136.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -65.47 -19.73 66.06 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 125.823 1.649 . . . . 0.0 112.627 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.8 m -133.69 160.16 38.38 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.194 -0.941 . . . . 0.0 112.897 -146.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.62 163.7 22.86 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.629 1.172 . . . . 0.0 111.49 169.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.5 t -117.55 137.87 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 125.817 1.647 . . . . 0.0 111.022 -172.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -132.35 100.76 5.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.906 1.282 . . . . 0.0 111.022 175.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -79.13 116.14 19.23 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.494 1.518 . . . . 0.0 110.831 176.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -129.07 68.81 1.4 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.875 1.27 . . . . 0.0 111.277 -164.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -58.09 -28.35 64.51 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -173.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.73 -18.53 72.3 Favored Glycine 0 CA--C 1.538 1.476 0 CA-C-N 119.869 1.213 . . . . 0.0 114.158 173.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.95 -2.67 87.12 Favored Glycine 0 CA--C 1.535 1.315 0 CA-C-O 117.752 -1.582 . . . . 0.0 114.04 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -52.57 -17.42 1.26 Allowed 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 125.805 1.642 . . . . 0.0 113.118 167.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.0 t30 -127.72 -32.26 2.38 Favored 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 162.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -91.72 -15.52 28.27 Favored 'General case' 0 C--N 1.341 0.2 0 N-CA-C 115.745 1.758 . . . . 0.0 115.745 -170.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.4 tp -67.23 -24.05 65.78 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 121.019 1.736 . . . . 0.0 110.181 161.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -61.82 -16.85 53.08 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-O 119.038 -0.868 . . . . 0.0 114.441 164.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 89.9 m -80.12 -18.1 50.76 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.622 1.711 . . . . 0.0 111.438 168.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.13 -45.83 8.45 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.747 1.219 . . . . 0.0 113.317 169.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.7 m -121.3 6.11 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 N-CA-C 114.85 1.426 . . . . 0.0 114.85 -169.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.66 118.66 4.51 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 125.013 1.292 . . . . 0.0 113.002 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -59.58 -1.09 0.21 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 -177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.46 -45.62 56.19 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.506 1.123 . . . . 0.0 110.558 155.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -64.65 139.84 58.81 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.668 0.747 . . . . 0.0 112.301 175.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.98 -50.11 0.88 Allowed 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.896 1.678 . . . . 0.0 110.667 172.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.4 t -69.0 80.66 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 158.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.16 63.26 2.9 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.682 1.134 . . . . 0.0 112.353 -174.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.8 p -97.38 115.99 38.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.748 0.785 . . . . 0.0 110.436 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.423 HG13 HD23 ' A' ' 25' ' ' LEU . 85.0 t -137.47 159.79 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 125.58 1.552 . . . . 0.0 107.972 -174.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.8 m -149.79 156.1 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 119.361 -2.087 . . . . 0.0 110.531 171.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.8 mm -123.61 138.35 53.71 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 C-N-CA 126.066 1.746 . . . . 0.0 109.011 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.8 mp -118.23 -67.4 0.99 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.393 1.477 . . . . 0.0 110.266 -171.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.4 ' H ' ' HB2' ' A' ' 22' ' ' LYS . 14.6 mp0 -114.79 92.76 4.05 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.475 1.51 . . . . 0.0 109.06 176.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.4 52.62 0.19 Allowed 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.808 1.243 . . . . 0.0 112.385 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -73.17 41.21 0.9 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 126.251 1.881 . . . . 0.0 114.115 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -142.51 -83.42 0.18 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.811 1.644 . . . . 0.0 109.353 -173.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 11.9 t -108.8 152.33 25.02 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 123.379 1.561 . . . . 0.0 112.06 161.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -52.0 3.86 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.836 1 C-N-CA 136.354 5.862 . . . . 0.0 117.719 178.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.438 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 16.2 tt -46.84 -43.83 6.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 N-CA-C 115.698 1.74 . . . . 0.0 115.698 -158.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.305 0.0 OUTLIER -98.3 4.48 48.72 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -170.578 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 46.8 p -58.97 -62.11 2.13 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.783 1.233 . . . . 0.0 110.422 169.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 14.0 t -62.88 -5.32 2.75 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.54 1.536 . . . . 0.0 114.899 175.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.2 mt -104.49 -12.78 16.31 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.136 1.375 . . . . 0.0 113.435 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.216 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -147.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 117.9 -1.048 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.55 -176.06 0.04 OUTLIER 'Trans proline' 0 CA--C 1.546 1.077 0 C-N-CA 123.056 2.504 . . . . 0.0 112.311 153.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.4 p -47.07 -24.07 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -171.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.34 3.03 0.32 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 127.059 2.144 . . . . 0.0 115.662 165.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.84 58.78 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.976 1 C-N-CA 132.999 4.519 . . . . 0.0 116.923 -178.452 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.495 ' HA ' HG22 ' A' ' 10' ' ' ILE . 18.5 pt20 -65.66 -22.87 66.68 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -179.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -43.82 96.14 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.587 -0.696 . . . . 0.0 111.904 170.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.7 m -84.5 -40.26 17.87 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.221 1.808 . . . . 0.0 112.395 -174.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.495 HG22 ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -57.47 -37.73 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 -177.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -46.46 75.11 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.734 1.614 . . . . 0.0 112.167 177.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.4 tm0? -63.92 -54.29 37.01 Favored 'General case' 0 C--O 1.234 0.261 0 C-N-CA 123.813 0.845 . . . . 0.0 109.979 -179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -59.6 -42.67 93.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.815 0.846 . . . . 0.0 111.475 -179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.14 -49.9 65.85 Favored 'General case' 0 C--O 1.222 -0.342 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.739 176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.64 -37.61 84.65 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 120.607 1.549 . . . . 0.0 112.444 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.69 -44.47 77.4 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 123.862 0.865 . . . . 0.0 111.119 169.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.4 t -64.7 -47.99 86.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 124.685 1.194 . . . . 0.0 112.791 174.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.417 HG23 ' CE1' ' A' ' 23' ' ' TYR . 7.3 mm -50.94 -28.74 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 126.716 2.006 . . . . 0.0 113.184 -178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 pttm -57.96 -24.5 58.25 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 177.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 p -140.76 -17.31 0.86 Allowed 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 116.226 1.935 . . . . 0.0 116.226 175.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.07 148.3 26.88 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 119.535 1.061 . . . . 0.0 113.747 -178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -79.0 113.36 17.07 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.221 1.008 . . . . 0.0 111.577 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.417 ' CE1' HG23 ' A' ' 18' ' ' ILE . 25.3 p90 -119.08 169.21 10.12 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.69 1.367 . . . . 0.0 114.69 175.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -140.86 147.56 39.15 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 127.217 2.207 . . . . 0.0 109.725 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.0 mt -136.01 130.53 33.69 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.704 1.202 . . . . 0.0 113.993 -168.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.64 155.57 27.32 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 124.564 1.078 . . . . 0.0 112.933 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CE1' HD21 ' A' ' 56' ' ' LEU . 21.1 t80 -52.54 -60.62 3.02 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.649 1.18 . . . . 0.0 113.38 -162.626 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -55.66 -43.73 76.56 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.978 0.911 . . . . 0.0 112.543 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.52 -55.95 28.48 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 125.65 1.58 . . . . 0.0 111.754 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.5 t -61.71 -53.51 55.11 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 116.919 -1.515 . . . . 0.0 109.469 175.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.6 t -47.25 -49.62 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 CA-C-N 121.83 2.105 . . . . 0.0 112.429 178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -54.36 -56.14 21.55 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.93 0.892 . . . . 0.0 112.026 170.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m -58.36 -41.75 85.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.27 1.828 . . . . 0.0 113.527 -177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 55.9 mt -73.63 -38.24 65.09 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.478 1.511 . . . . 0.0 111.44 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.5 mtp180 -68.31 -23.04 64.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 118.601 0.637 . . . . 0.0 112.446 172.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -74.9 3.33 8.4 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 124.823 1.249 . . . . 0.0 113.822 162.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.6 -40.97 2.48 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.778 1.656 . . . . 0.0 116.343 158.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -77.18 7.68 4.83 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 -168.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.4 p -65.67 159.66 24.45 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 120.204 1.365 . . . . 0.0 112.187 174.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.0 tptp -134.42 -21.53 1.78 Allowed 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD11 ' CD1' ' A' ' 43' ' ' ILE . 2.1 tm? -142.43 132.61 24.69 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.261 1.024 . . . . 0.0 110.832 173.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.714 HG23 HG21 ' A' ' 65' ' ' THR . 16.8 pt -113.77 138.56 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 124.733 1.213 . . . . 0.0 111.228 163.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.48 ' CD1' HD11 ' A' ' 41' ' ' LEU . 31.8 mm -112.2 119.6 60.53 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.017 1.327 . . . . 0.0 108.184 169.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.6 mt -100.87 110.41 27.74 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 171.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.12 59.48 0.94 Allowed 'General case' 0 C--N 1.344 0.334 0 C-N-CA 125.796 1.638 . . . . 0.0 111.923 176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.7 150.83 37.98 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 126.053 1.741 . . . . 0.0 109.256 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -68.85 77.45 0.31 Allowed 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.289 1.436 . . . . 0.0 109.323 174.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 84.0 m -97.68 118.13 64.49 Favored Pre-proline 0 N--CA 1.47 0.565 0 C-N-CA 125.119 1.367 . . . . 0.0 111.153 -154.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.83 146.37 36.28 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.114 2.543 . . . . 0.0 113.036 173.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.9 t -54.67 -46.42 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.281 1.032 . . . . 0.0 111.908 -174.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 95.3 mt -56.87 -48.98 76.88 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.1 0.56 . . . . 0.0 111.524 176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.61 -49.13 77.81 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.389 1.876 . . . . 0.0 110.737 -178.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.6 pttp -61.6 -44.51 96.86 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 118.387 -0.816 . . . . 0.0 109.334 174.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.8 p -57.88 -34.99 70.37 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.541 0.736 . . . . 0.0 112.712 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.88 -46.6 71.2 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.307 0.958 . . . . 0.0 111.192 174.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' A' ' 27' ' ' TYR . 4.1 mt -60.64 -41.12 94.31 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 121.512 -0.743 . . . . 0.0 112.854 175.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -62.89 -39.46 94.55 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.116 2.566 . . . . 0.0 111.502 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -61.82 -47.44 85.07 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.312 1.445 . . . . 0.0 111.708 169.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -65.69 -37.45 86.5 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.051 -1.03 . . . . 0.0 112.85 174.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.97 -36.78 70.74 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 170.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.9 ttp -76.82 -34.74 57.89 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.728 2.011 . . . . 0.0 114.078 175.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.0 mt -69.22 -52.64 25.74 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.938 1.295 . . . . 0.0 111.557 173.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 92.5 p -61.15 -173.07 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.125 0.97 . . . . 0.0 110.437 156.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mmtm -120.9 62.83 0.87 Allowed 'General case' 0 N--CA 1.479 1.022 0 O-C-N 119.372 -2.08 . . . . 0.0 110.094 175.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.714 HG21 HG23 ' A' ' 42' ' ' ILE . 93.4 m -114.42 135.62 53.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 113.748 -1.569 . . . . 0.0 110.644 -159.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -78.27 128.37 33.62 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 171.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.46 130.66 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 167.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -127.13 144.21 51.09 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.789 0.836 . . . . 0.0 110.765 170.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -115.3 108.11 16.13 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.979 1.312 . . . . 0.0 109.304 -177.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.05 86.68 2.5 Favored 'General case' 0 C--O 1.221 -0.425 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 -177.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.0 tp60 -73.98 78.72 1.68 Allowed 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -150.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -73.75 172.17 51.24 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 126.797 2.141 . . . . 0.0 111.158 166.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -70.01 -7.87 60.26 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 126.904 2.192 . . . . 0.0 114.237 -6.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -41.26 75.65 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.836 2.454 . . . . 0.0 112.428 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -150.82 119.55 6.56 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.316 1.447 . . . . 0.0 107.414 166.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -137.56 175.1 9.9 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -156.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -132.9 14.8 4.31 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 -178.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.9 -41.2 20.54 Favored Glycine 0 CA--C 1.535 1.297 0 CA-C-N 120.488 1.495 . . . . 0.0 110.836 157.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 64.1 m -47.41 -38.18 12.83 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 127.711 2.405 . . . . 0.0 114.563 166.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.31 -51.98 13.59 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-N 119.632 1.105 . . . . 0.0 111.529 175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.7 m -96.25 -25.34 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 116.313 1.968 . . . . 0.0 116.313 -159.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -142.42 -5.95 0.78 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.693 1.139 . . . . 0.0 114.477 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.6 mmmt 73.14 -62.11 0.48 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 129.174 2.989 . . . . 0.0 112.235 163.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.28 -65.58 0.66 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.407 1.883 . . . . 0.0 110.947 -179.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.34 164.5 13.46 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.693 0.797 . . . . 0.0 112.82 -178.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.34 144.75 50.76 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.845 1.658 . . . . 0.0 109.536 -176.171 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 t 72.88 142.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 127.829 2.452 . . . . 0.0 112.114 171.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 147.14 -174.03 27.08 Favored Glycine 0 CA--C 1.527 0.838 0 O-C-N 121.238 -0.914 . . . . 0.0 114.819 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.9 p -101.98 139.15 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 C-N-CA 125.163 1.385 . . . . 0.0 110.559 171.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.1 t -113.2 153.64 14.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 C-N-CA 126.943 2.097 . . . . 0.0 107.604 172.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.415 ' OG ' HG22 ' A' ' 42' ' ' ILE . 4.8 m -144.89 154.05 42.21 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 120.14 -1.6 . . . . 0.0 110.592 159.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 mm -124.43 137.49 57.08 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 C-N-CA 125.155 1.382 . . . . 0.0 109.315 -177.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -115.86 -50.15 2.7 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.015 1.726 . . . . 0.0 112.291 -169.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -136.42 93.83 2.94 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.961 1.305 . . . . 0.0 110.2 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.09 84.23 1.8 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 122.033 -0.417 . . . . 0.0 109.941 164.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.24 39.93 0.46 Allowed Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.429 1.014 . . . . 0.0 112.606 166.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -153.86 -148.42 0.25 Allowed 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.005 2.122 . . . . 0.0 108.793 -156.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.0 t -56.78 147.66 22.52 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 124.301 2.0 . . . . 0.0 111.548 166.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -51.87 4.22 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.651 1 C-N-CA 135.494 5.518 . . . . 0.0 117.574 -178.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.5 tt -49.65 -47.79 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 120.549 1.522 . . . . 0.0 113.625 -163.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 -9.88 58.96 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 115.053 1.501 . . . . 0.0 115.053 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.3 t -105.8 -9.34 17.28 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 117.508 -1.234 . . . . 0.0 113.926 168.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.5 p -105.34 -24.68 12.64 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 120.402 1.455 . . . . 0.0 113.831 174.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.4 mt -82.92 -4.62 58.4 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 163.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.324 0 N-CA-C 117.915 2.561 . . . . 0.0 117.915 -143.051 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 115.623 -2.132 . . . . 0.0 107.809 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 2' ' ' ALA 0.294 10.6 Cg_exo -37.65 9.69 0.0 OUTLIER 'Trans proline' 0 CA--C 1.547 1.14 2 C-N-CA 130.125 7.217 . . . . 0.0 125.606 -142.635 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.4 t -59.61 142.77 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 120.728 -1.233 . . . . 0.0 108.213 142.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -81.26 44.45 0.78 Allowed 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -156.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.3 p -62.25 156.0 23.22 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.279 1.032 . . . . 0.0 111.075 164.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -68.57 -28.15 66.7 Favored 'General case' 0 N--CA 1.472 0.67 0 O-C-N 121.208 -0.932 . . . . 0.0 111.467 169.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -53.35 -50.33 65.27 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.496 1.518 . . . . 0.0 111.833 164.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.4 m -55.28 -48.34 74.18 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 117.568 -1.206 . . . . 0.0 113.519 177.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.41 -43.19 96.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 CA-C-N 120.405 1.457 . . . . 0.0 110.591 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -54.26 -57.05 12.66 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.2 1.0 . . . . 0.0 111.312 173.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -54.75 -55.74 26.71 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.6 1.96 . . . . 0.0 111.431 178.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -63.18 -36.47 83.72 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 125.4 1.48 . . . . 0.0 111.982 -177.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 tt -67.66 -38.28 83.58 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.718 0.69 . . . . 0.0 111.614 176.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.39 -42.65 83.0 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 119.188 0.904 . . . . 0.0 112.458 169.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.3 tt -53.33 -40.29 64.75 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 125.04 1.336 . . . . 0.0 110.903 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 t -62.59 -63.57 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.909 1.684 . . . . 0.0 111.967 166.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.8 mt -56.46 -17.86 5.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.944 1.697 . . . . 0.0 114.648 -174.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -47.06 -36.9 8.66 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.262 1.825 . . . . 0.0 113.608 161.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -149.46 -12.24 0.3 Allowed 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 115.481 1.66 . . . . 0.0 115.481 -168.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -99.63 167.17 20.89 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.848 1.689 . . . . 0.0 113.352 -179.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -99.79 118.45 36.3 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.946 1.299 . . . . 0.0 111.503 -169.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -128.84 170.09 13.79 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.326 1.45 . . . . 0.0 114.268 -175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.6 t -139.83 161.91 36.43 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 127.781 2.432 . . . . 0.0 110.11 169.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.5 mt -143.28 151.62 40.73 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.182 1.793 . . . . 0.0 112.444 -170.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.63 157.35 26.79 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.152 1.358 . . . . 0.0 112.52 174.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.497 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 66.4 t80 -67.0 -77.05 0.07 Allowed 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.132 1.466 . . . . 0.0 114.461 -165.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -66.92 -19.89 65.81 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.54 -1.35 . . . . 0.0 111.948 -177.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 t -57.28 -59.95 4.35 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 128.439 2.696 . . . . 0.0 113.151 163.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.255 14.7 t -63.54 -40.5 97.18 Favored 'General case' 0 C--O 1.218 -0.588 0 CA-C-O 117.395 -1.288 . . . . 0.0 110.908 173.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.548 HG13 ' CE2' ' A' ' 59' ' ' TYR . 54.1 t -48.71 -55.52 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 CA-C-N 121.818 2.099 . . . . 0.0 112.179 172.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.0 tptp -55.85 -45.46 78.43 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.84 1.656 . . . . 0.0 111.862 175.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 m -57.74 -56.74 18.01 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.212 1.405 . . . . 0.0 111.692 175.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.19 -35.31 78.46 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 127.105 2.162 . . . . 0.0 112.087 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -64.66 -33.25 75.5 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.137 0.975 . . . . 0.0 113.046 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -105.46 -15.21 15.07 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 116.416 2.006 . . . . 0.0 116.416 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.99 156.14 26.83 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 120.485 1.493 . . . . 0.0 115.254 -171.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.96 91.93 1.24 Allowed 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.373 1.869 . . . . 0.0 111.425 -177.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.6 p -71.35 169.36 15.44 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 121.686 -0.634 . . . . 0.0 111.754 156.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -136.46 -14.23 1.72 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 157.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.431 HD11 HD11 ' A' ' 43' ' ' ILE . 1.2 tm? -141.29 131.97 25.64 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.281 1.032 . . . . 0.0 110.222 173.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.6 pt -112.45 146.83 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 C-N-CA 124.857 1.263 . . . . 0.0 111.05 165.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.525 HG21 HD22 ' A' ' 77' ' ' LEU . 18.1 mm -122.59 136.73 58.46 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 C-N-CA 124.37 1.068 . . . . 0.0 109.348 170.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.19 96.28 4.54 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 124.294 1.038 . . . . 0.0 109.315 169.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -110.31 50.53 0.8 Allowed 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.141 1.777 . . . . 0.0 109.529 159.655 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -127.69 138.75 52.9 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 125.803 1.641 . . . . 0.0 107.162 162.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.9 m-80 -63.51 83.12 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.379 1.472 . . . . 0.0 111.331 178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 95.1 m -106.58 108.47 61.92 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 126.531 1.932 . . . . 0.0 111.568 -159.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.49 168.3 22.92 Favored 'Trans proline' 0 CA--C 1.541 0.828 0 C-N-CA 122.746 2.297 . . . . 0.0 113.193 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.5 t -52.33 -52.21 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 125.359 1.463 . . . . 0.0 113.789 -165.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.76 -32.24 73.67 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.882 1.219 . . . . 0.0 112.464 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.497 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -71.78 -45.92 60.01 Favored 'General case' 0 C--O 1.246 0.87 0 C-N-CA 126.143 1.777 . . . . 0.0 110.712 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.8 pttp -65.53 -42.15 92.3 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.064 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m -55.69 -42.76 75.67 Favored 'General case' 0 C--O 1.223 -0.341 0 C-N-CA 124.459 1.104 . . . . 0.0 111.545 178.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.11 -56.62 17.83 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.482 1.037 . . . . 0.0 111.195 169.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mt -57.84 -44.54 86.55 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.283 0.947 . . . . 0.0 113.066 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -62.92 -35.75 81.1 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.56 2.344 . . . . 0.0 111.694 178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -62.98 -49.0 76.4 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.719 1.208 . . . . 0.0 111.459 169.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.548 ' CE2' HG13 ' A' ' 31' ' ' VAL . 29.1 m-85 -66.0 -35.96 81.99 Favored 'General case' 0 N--CA 1.468 0.432 0 O-C-N 121.422 -0.799 . . . . 0.0 112.389 177.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.27 -48.26 81.02 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 118.952 0.796 . . . . 0.0 112.352 167.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -57.68 -43.32 85.0 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.951 1.301 . . . . 0.0 112.56 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.8 -61.05 2.78 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.967 0.803 . . . . 0.0 111.224 173.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 87.4 p -75.4 42.33 0.21 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 127.453 2.301 . . . . 0.0 114.186 -173.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.411 ' H ' ' HD2' ' A' ' 64' ' ' LYS . 1.0 OUTLIER -31.87 98.12 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 124.854 1.261 . . . . 0.0 112.82 -134.235 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -132.46 146.02 51.62 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 128.162 2.585 . . . . 0.0 110.237 -162.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.1 ttmt -78.94 146.92 33.22 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.483 1.513 . . . . 0.0 110.614 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.3 t -117.5 144.85 24.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 124.824 1.25 . . . . 0.0 110.372 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -140.34 152.75 46.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.902 0.881 . . . . 0.0 112.277 170.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -126.72 85.75 2.42 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.406 1.482 . . . . 0.0 110.509 -175.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.711 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.6 OUTLIER -82.14 59.17 4.3 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 122.963 1.363 . . . . 0.0 108.52 177.368 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -82.08 52.54 2.01 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 125.104 1.362 . . . . 0.0 113.513 -160.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.44 -39.71 91.38 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 135.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 77.49 29.35 55.84 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 124.804 1.192 . . . . 0.0 113.684 169.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -133.66 -101.3 0.25 Allowed 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 118.66 1.23 . . . . 0.0 112.51 -173.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -138.91 8.01 2.51 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.534 1.934 . . . . 0.0 111.566 -166.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.23 -56.01 27.36 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 127.487 2.315 . . . . 0.0 110.559 172.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.525 HD22 HG21 ' A' ' 43' ' ' ILE . 42.8 tp -74.76 -19.6 60.15 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.822 1.249 . . . . 0.0 112.048 170.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.27 -28.89 4.73 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 124.355 0.979 . . . . 0.0 112.955 165.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 m -58.17 -39.12 78.05 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 126.213 1.805 . . . . 0.0 113.215 171.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.16 -18.74 55.17 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.9 -14.31 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 132.68 30.14 0.5 Allowed Glycine 0 CA--C 1.537 1.468 0 N-CA-C 117.804 1.882 . . . . 0.0 117.804 161.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 mmpt? 58.22 -69.3 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 128.327 2.651 . . . . 0.0 116.101 175.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 pp -69.67 139.25 53.48 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.084 1.354 . . . . 0.0 112.582 -172.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 1.5 p90 56.61 -22.5 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 128.684 2.794 . . . . 0.0 117.645 -165.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -58.87 78.76 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 127.517 2.327 . . . . 0.0 114.663 -171.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 m -60.11 123.31 12.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 143.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -78.87 40.93 2.12 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 121.495 -0.753 . . . . 0.0 114.813 -162.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.42 116.52 31.88 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 118.313 1.057 . . . . 0.0 109.178 169.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.4 t -132.0 155.59 41.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 125.791 1.637 . . . . 0.0 109.058 -166.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.4 m -147.82 148.87 31.37 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 120.374 -1.454 . . . . 0.0 110.898 163.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.1 mm -125.53 133.27 69.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 C-N-CA 126.083 1.753 . . . . 0.0 109.442 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.5 mp -103.48 -56.11 2.27 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 127.05 2.14 . . . . 0.0 111.446 -171.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -131.57 111.71 11.98 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 125.484 1.514 . . . . 0.0 108.471 171.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.78 -29.19 19.96 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -173.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.22 -5.61 0.3 Allowed Glycine 0 CA--C 1.539 1.589 0 N-CA-C 120.918 3.127 . . . . 0.0 120.918 -113.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -112.64 84.24 1.95 Allowed 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.71 1.755 . . . . 0.0 108.645 169.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -105.41 -178.18 3.58 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 129.545 3.138 . . . . 0.0 114.042 8.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -53.52 23.13 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.078 1 C-N-CA 134.396 5.078 . . . . 0.0 117.866 178.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.4 tt -62.53 -21.62 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 121.097 1.771 . . . . 0.0 114.441 -166.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.32 0.0 OUTLIER -89.26 -15.69 32.96 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.015 2.126 . . . . 0.0 115.886 169.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.2 m -86.27 -56.92 3.22 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.914 1.686 . . . . 0.0 109.463 170.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 1.3 m -87.15 -152.53 0.19 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.205 1.402 . . . . 0.0 108.53 170.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -109.31 0.32 Allowed 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.105 -1.622 . . . . 0.0 108.182 142.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.136 0 C-N-CA 123.666 0.786 . . . . 0.0 110.334 151.08 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . . . . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 115.682 -2.104 . . . . 0.0 108.834 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 2' ' ' ALA 0.253 44.5 Cg_exo -44.37 7.71 0.0 OUTLIER 'Trans proline' 0 CA--C 1.544 1.024 2 C-N-CA 128.597 6.198 . . . . 0.0 124.472 -161.479 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.7 t -84.98 -72.32 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 152.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.2 tttm -73.58 69.6 1.26 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.294 1.038 . . . . 0.0 108.547 161.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.7 37.61 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 128.63 2.772 . . . . 0.0 114.247 -173.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -55.05 -58.25 8.41 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 129.515 3.126 . . . . 0.0 111.916 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.43 -53.71 41.72 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.642 1.577 . . . . 0.0 112.009 -178.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 p -63.55 -54.9 28.86 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 127.429 2.292 . . . . 0.0 111.91 -176.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -47.49 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 CA-C-N 118.931 0.787 . . . . 0.0 111.145 177.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -59.56 -51.62 69.08 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 119.086 0.857 . . . . 0.0 111.475 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -57.65 -54.74 43.45 Favored 'General case' 0 C--N 1.343 0.294 0 CA-C-O 118.365 -0.826 . . . . 0.0 110.401 177.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -63.2 -38.93 93.1 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 119.008 0.822 . . . . 0.0 112.457 -176.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.7 -40.41 88.47 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 118.822 -0.609 . . . . 0.0 111.858 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.01 93.03 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.875 1.216 . . . . 0.0 112.504 171.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.401 HD22 ' HB2' ' A' ' 98' ' ' SER . 1.2 tt -56.38 -42.8 78.49 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.996 1.319 . . . . 0.0 109.799 173.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 t -59.92 -57.89 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 124.64 1.176 . . . . 0.0 112.451 168.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.5 mt -52.78 -28.51 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.595 1.158 . . . . 0.0 113.262 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -48.67 -37.11 17.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.265 1.426 . . . . 0.0 114.162 174.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -149.6 -2.86 0.42 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 173.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.18 -166.6 29.18 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.359 1.457 . . . . 0.0 112.344 171.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.39 122.59 26.58 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.329 -1.101 . . . . 0.0 111.802 -177.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -129.94 173.71 10.44 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.532 2.333 . . . . 0.0 112.234 -172.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.4 t -146.1 146.9 31.06 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.977 1.711 . . . . 0.0 110.337 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -135.71 134.04 38.69 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.148 1.379 . . . . 0.0 113.54 -170.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.5 145.75 11.51 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 123.98 0.8 . . . . 0.0 111.895 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 32.7 t80 -51.76 -51.9 52.79 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.798 1.239 . . . . 0.0 113.295 -165.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -39.67 -58.92 1.23 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 126.933 2.093 . . . . 0.0 112.04 168.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 m -66.08 -52.09 52.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 126.581 1.952 . . . . 0.0 110.835 -170.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.262 6.6 t -56.68 -58.17 9.22 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-O 116.718 -1.611 . . . . 0.0 109.86 173.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.5 t -47.98 -50.25 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 CA-C-N 121.734 2.061 . . . . 0.0 112.893 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -56.17 -47.9 77.37 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.118 0.967 . . . . 0.0 112.646 173.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 m -65.53 -41.25 93.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.431 1.492 . . . . 0.0 112.73 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.4 mt -71.64 -38.28 70.75 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.296 1.039 . . . . 0.0 111.317 177.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.1 mtt-85 -61.21 -27.47 68.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.679 0.792 . . . . 0.0 112.757 169.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -78.57 5.45 10.88 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 166.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.95 -19.99 1.99 Allowed Glycine 0 CA--C 1.534 1.281 0 N-CA-C 117.258 1.663 . . . . 0.0 117.258 159.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -88.74 -0.74 57.6 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.497 1.665 . . . . 0.0 115.497 -166.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 84.1 p -59.43 165.51 2.77 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.229 -0.92 . . . . 0.0 113.001 173.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 tppm? -138.59 -18.47 1.09 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 115.403 1.631 . . . . 0.0 115.403 164.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.561 HD11 HD11 ' A' ' 43' ' ' ILE . 1.1 tm? -139.38 129.51 25.19 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.936 0.789 . . . . 0.0 109.799 176.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.627 HG23 HG21 ' A' ' 65' ' ' THR . 16.9 pt -113.66 141.36 29.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 124.25 1.02 . . . . 0.0 111.575 168.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.561 HD11 HD11 ' A' ' 41' ' ' LEU . 21.6 mm -115.95 138.94 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.402 0 C-N-CA 124.784 1.234 . . . . 0.0 108.866 172.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mp -126.92 91.47 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 172.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.23 46.82 0.91 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.675 1.99 . . . . 0.0 110.265 168.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.62 151.53 39.15 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 126.218 1.807 . . . . 0.0 109.992 -174.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -66.71 75.33 0.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.273 2.229 . . . . 0.0 112.943 -173.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.7 m -107.73 99.93 32.34 Favored Pre-proline 0 CA--C 1.541 0.606 0 C-N-CA 125.842 1.657 . . . . 0.0 111.674 -162.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -72.68 171.25 17.65 Favored 'Trans proline' 0 CA--C 1.54 0.777 0 C-N-CA 123.065 2.51 . . . . 0.0 113.195 -175.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.7 t -50.05 -48.97 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 126.138 1.775 . . . . 0.0 114.164 -166.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.01 -44.26 85.28 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.032 0.833 . . . . 0.0 111.087 178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -63.45 -46.88 84.23 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.615 1.966 . . . . 0.0 110.819 -178.124 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -47.53 83.39 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.046 0.538 . . . . 0.0 109.623 175.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 21.1 m -60.95 -34.38 74.66 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.603 0.761 . . . . 0.0 112.225 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -64.47 -48.69 74.31 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.066 0.848 . . . . 0.0 111.835 172.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.07 -41.87 93.34 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.098 0.863 . . . . 0.0 112.497 175.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -59.94 -43.69 94.84 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 126.393 1.877 . . . . 0.0 111.532 174.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -59.6 -48.29 82.25 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.848 1.259 . . . . 0.0 111.544 171.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -64.15 -43.12 96.19 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 118.35 -0.833 . . . . 0.0 112.48 176.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.28 -41.9 72.87 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.485 1.039 . . . . 0.0 112.846 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 52.0 ttp -61.99 -38.57 89.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.961 1.304 . . . . 0.0 112.317 172.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -64.91 -61.11 2.36 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 119.186 0.903 . . . . 0.0 111.288 170.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 90.8 p -78.49 46.59 0.65 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.167 1.787 . . . . 0.0 113.584 -173.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' H ' ' HD2' ' A' ' 64' ' ' LYS . 1.2 mptp? -32.52 98.7 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.123 1.369 . . . . 0.0 112.978 -137.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.627 HG21 HG23 ' A' ' 42' ' ' ILE . 1.8 m -133.09 144.24 49.85 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 128.352 2.661 . . . . 0.0 110.12 -161.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -79.04 144.76 34.33 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 122.079 -0.388 . . . . 0.0 110.976 176.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -109.67 135.6 48.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.637 1.575 . . . . 0.0 110.225 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -132.11 98.67 4.49 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.054 0.941 . . . . 0.0 111.586 178.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -78.78 74.88 5.3 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.232 1.413 . . . . 0.0 111.414 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.401 ' CE1' ' HA3' ' A' ' 73' ' ' GLY . 1.4 t80 -81.34 44.49 0.79 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.369 1.868 . . . . 0.0 111.288 -179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -61.9 -28.8 69.77 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.83 -1.169 . . . . 0.0 112.319 -178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.49 49.78 3.09 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 121.076 -1.015 . . . . 0.0 112.506 163.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.401 ' HA3' ' CE1' ' A' ' 70' ' ' PHE . . . -160.02 16.59 0.21 Allowed Glycine 0 CA--C 1.534 1.222 0 C-N-CA 128.382 2.896 . . . . 0.0 112.92 -176.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -54.09 -25.14 20.29 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 129.433 3.093 . . . . 0.0 115.071 -160.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -128.09 -25.97 2.93 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.343 1.457 . . . . 0.0 111.22 170.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -54.04 -45.35 71.6 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 128.397 2.679 . . . . 0.0 113.155 -175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.82 -20.7 65.31 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.048 0.84 . . . . 0.0 112.847 176.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -59.39 -15.65 32.28 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.118 -0.989 . . . . 0.0 113.935 169.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 m -61.36 -47.35 86.28 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.493 1.117 . . . . 0.0 110.24 167.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.35 -57.63 5.62 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.93 0.892 . . . . 0.0 111.007 168.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . 0.287 17.6 m -96.61 -139.13 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.59 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -163.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.07 90.43 1.1 Allowed Glycine 0 CA--C 1.526 0.738 0 C-N-CA 126.402 1.953 . . . . 0.0 113.775 -165.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HD2' ' H ' ' A' ' 83' ' ' LYS . 2.0 mptt -45.61 -29.76 1.31 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 127.379 2.272 . . . . 0.0 114.737 177.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.4 tp -55.69 -48.4 75.16 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.189 0.996 . . . . 0.0 112.118 172.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 8.3 p90 -111.99 -36.41 5.39 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.835 1.254 . . . . 0.0 114.243 -170.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 60.29 -25.29 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 129.131 2.972 . . . . 0.0 117.148 176.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.7 m -56.74 100.9 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 126.118 1.767 . . . . 0.0 110.304 169.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -88.19 64.54 3.56 Favored Glycine 0 CA--C 1.523 0.567 0 CA-C-N 115.884 -0.598 . . . . 0.0 112.864 -159.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 p -85.24 108.42 17.06 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 161.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.7 t -130.81 156.52 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 C-N-CA 125.702 1.601 . . . . 0.0 108.895 -168.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.8 m -144.97 156.1 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 120.301 -1.5 . . . . 0.0 110.86 158.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.6 mm -122.79 131.76 72.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.79 0 C-N-CA 125.995 1.718 . . . . 0.0 108.989 -177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.95 -55.28 2.42 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 127.168 2.187 . . . . 0.0 110.517 -173.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -120.35 102.67 8.63 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 124.346 1.058 . . . . 0.0 109.995 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.0 56.42 1.22 Allowed 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.466 -0.772 . . . . 0.0 112.467 173.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.81 24.42 0.66 Allowed Glycine 0 CA--C 1.536 1.357 0 C-N-CA 125.121 1.343 . . . . 0.0 115.853 -174.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -145.63 -77.37 0.2 Allowed 'General case' 0 CA--C 1.546 0.794 0 CA-C-N 119.345 1.573 . . . . 0.0 110.999 -172.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.401 ' HB2' HD22 ' A' ' 16' ' ' LEU . 17.9 t -108.2 162.81 13.73 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.031 1.332 . . . . 0.0 111.74 165.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -83.68 18.06 2.06 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 116.396 1.999 . . . . 0.0 116.396 -157.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 tt -44.1 -52.17 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 115.828 1.788 . . . . 0.0 115.828 -160.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.2 -15.01 62.81 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.4 t -105.95 -9.48 17.08 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 117.413 -1.279 . . . . 0.0 113.96 167.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.11 -41.87 70.01 Favored 'General case' 0 N--CA 1.474 0.725 0 CA-C-N 120.299 1.409 . . . . 0.0 111.041 163.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -97.62 -4.02 38.35 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 -169.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.99 0 N-CA-C 116.586 2.069 . . . . 0.0 116.586 -145.265 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 118.618 -0.706 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -50.04 129.58 25.32 Favored 'Trans proline' 0 CA--C 1.536 0.59 0 C-N-CA 123.124 2.549 . . . . 0.0 112.818 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.6 p -77.34 -18.55 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -27.65 61.28 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.091 1.756 . . . . 0.0 114.799 -168.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 p -90.84 -52.82 4.67 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.323 1.449 . . . . 0.0 111.828 168.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -58.66 -25.39 62.74 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.134 2.173 . . . . 0.0 114.036 -174.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -53.42 -27.97 27.31 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.028 1.331 . . . . 0.0 113.565 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.5 p -51.0 -63.03 1.26 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.284 1.834 . . . . 0.0 112.406 171.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 14.2 tt -61.6 -50.89 78.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 CA-C-O 118.509 -0.758 . . . . 0.0 110.995 167.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -54.61 -55.23 31.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.905 0.882 . . . . 0.0 112.355 -168.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -66.46 -42.84 86.94 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.387 0.675 . . . . 0.0 111.999 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -64.14 -44.18 92.96 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 118.641 0.655 . . . . 0.0 111.276 178.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.92 -36.97 78.62 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.69 1.196 . . . . 0.0 111.98 177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.51 -45.3 87.84 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.522 1.055 . . . . 0.0 112.391 170.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 tt -55.95 -40.74 73.65 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.374 1.07 . . . . 0.0 110.779 172.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.8 t -60.01 -60.31 2.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.577 0.751 . . . . 0.0 111.836 168.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.4 mt -52.65 -29.04 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.609 1.564 . . . . 0.0 113.775 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.94 -18.31 4.82 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.067 1.347 . . . . 0.0 114.355 171.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 p -149.77 -15.16 0.27 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 117.276 2.325 . . . . 0.0 117.276 160.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.53 158.6 43.57 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 124.991 1.281 . . . . 0.0 113.267 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.05 122.01 26.23 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.52 1.128 . . . . 0.0 111.086 -171.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -127.92 172.59 10.75 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.617 1.167 . . . . 0.0 113.756 175.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.0 t -142.81 149.91 39.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.328 1.851 . . . . 0.0 111.021 174.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.67 126.92 33.71 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.293 1.837 . . . . 0.0 112.493 -170.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.61 151.57 28.42 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.421 1.01 . . . . 0.0 112.591 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.417 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 36.6 t80 -55.26 -55.25 33.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.887 0.875 . . . . 0.0 113.253 -163.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -56.82 -42.91 80.41 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.694 0.798 . . . . 0.0 111.951 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.4 m -61.06 -49.48 77.17 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 126.573 1.949 . . . . 0.0 112.608 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.293 9.0 t -60.61 -63.63 1.23 Allowed 'General case' 0 C--N 1.345 0.371 0 CA-C-O 116.274 -1.822 . . . . 0.0 109.334 169.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.2 t -43.35 -50.57 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.23 0 CA-C-N 121.602 2.001 . . . . 0.0 113.304 -177.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 -56.73 12.45 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.008 1.323 . . . . 0.0 111.378 172.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 m -64.41 -33.58 76.18 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.847 1.259 . . . . 0.0 113.522 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 22.7 mt -71.1 -41.75 70.19 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.652 0.781 . . . . 0.0 110.669 173.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.7 mtt-85 -62.79 -28.53 70.06 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.262 1.025 . . . . 0.0 113.1 171.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 -72.24 -6.05 40.21 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 165.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.46 -1.57 35.12 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.302 1.43 . . . . 0.0 115.486 177.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -87.31 -7.6 57.63 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.182 1.393 . . . . 0.0 114.359 -164.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -68.49 163.3 23.72 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 124.16 0.984 . . . . 0.0 112.926 171.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 tppm? -138.93 -12.58 1.25 Allowed 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.69 1.366 . . . . 0.0 114.69 161.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.554 HD11 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -140.28 134.87 31.63 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.35 1.46 . . . . 0.0 108.992 171.388 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.526 HG23 HG21 ' A' ' 65' ' ' THR . 17.8 pt -116.35 149.55 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.986 0.915 . . . . 0.0 111.762 167.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.574 HG21 HD22 ' A' ' 77' ' ' LEU . 37.9 mm -124.25 136.42 60.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 C-N-CA 125.885 1.674 . . . . 0.0 109.85 178.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mp -123.38 96.92 4.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 C-N-CA 123.06 0.544 . . . . 0.0 109.713 168.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -115.95 50.06 1.06 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.981 2.912 . . . . 0.0 110.722 169.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -138.06 168.96 18.64 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.478 1.511 . . . . 0.0 110.832 -177.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -66.62 21.22 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.67 1.988 . . . . 0.0 114.841 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 55.3 m -60.02 114.22 9.25 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 129.441 3.096 . . . . 0.0 112.907 -172.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -59.97 167.71 6.85 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.985 3.79 . . . . 0.0 115.201 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.07 -43.95 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.878 1.271 . . . . 0.0 113.172 -177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.96 -39.97 83.27 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 120.958 -1.089 . . . . 0.0 111.034 177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.417 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.2 OUTLIER -64.08 -47.96 78.05 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 126.66 1.984 . . . . 0.0 111.227 179.13 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.44 -42.67 99.63 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.858 171.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 39.0 m -58.09 -37.54 74.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.242 0.617 . . . . 0.0 112.174 178.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -65.25 -46.71 79.43 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.103 0.865 . . . . 0.0 112.062 172.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 mt -59.14 -44.86 92.08 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 119.174 0.897 . . . . 0.0 112.794 175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -60.03 -39.9 87.47 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 127.671 2.389 . . . . 0.0 111.549 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -61.26 -49.77 75.75 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.724 1.21 . . . . 0.0 111.861 169.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -63.28 -36.88 85.13 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.115 -0.991 . . . . 0.0 112.778 175.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.51 -44.09 96.4 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.14 0.882 . . . . 0.0 112.43 170.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -58.43 -43.95 88.92 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.738 1.215 . . . . 0.0 112.191 171.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.41 -61.49 2.5 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.905 0.775 . . . . 0.0 111.406 173.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.8 p -76.3 43.5 0.3 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 128.155 2.582 . . . . 0.0 114.159 -173.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -32.22 99.39 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 124.758 1.223 . . . . 0.0 112.68 -136.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.526 HG21 HG23 ' A' ' 42' ' ' ILE . 1.7 m -133.85 143.22 48.19 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 128.518 2.727 . . . . 0.0 109.659 -162.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -79.35 118.26 21.09 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.565 0.746 . . . . 0.0 110.753 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.6 t -79.94 131.74 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 C-N-CA 123.286 0.634 . . . . 0.0 110.249 170.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -129.22 123.89 33.14 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.028 0.918 . . . . 0.0 112.315 168.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -87.51 109.12 19.38 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 124.628 1.171 . . . . 0.0 110.886 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -116.0 30.26 7.46 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.989 2.115 . . . . 0.0 108.703 -177.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -76.0 52.92 0.74 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 126.831 2.052 . . . . 0.0 112.694 -168.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -69.42 -5.79 51.29 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 126.182 1.849 . . . . 0.0 115.43 -177.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.35 8.06 65.24 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-N 118.469 1.135 . . . . 0.0 114.757 177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -127.29 1.41 6.38 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.267 1.533 . . . . 0.0 112.824 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 61.8 t30 44.11 47.29 7.45 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.544 1.938 . . . . 0.0 111.664 -167.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -60.58 -28.65 68.64 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.765 1.226 . . . . 0.0 112.621 175.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD22 HG21 ' A' ' 43' ' ' ILE . 50.0 tp -54.34 -26.65 30.96 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.158 1.783 . . . . 0.0 112.834 164.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -48.78 -28.16 6.9 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.313 0.959 . . . . 0.0 113.457 173.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.4 m -54.68 -39.59 68.25 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.268 1.827 . . . . 0.0 112.584 171.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.85 -21.43 44.15 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.033 1.333 . . . . 0.0 114.319 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 29.1 m -124.49 -11.41 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -167.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.04 20.51 8.71 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 125.221 1.391 . . . . 0.0 116.091 176.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 42.1 tptt 52.72 -55.88 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 130.918 3.687 . . . . 0.0 118.711 172.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.23 136.01 55.28 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.001 1.721 . . . . 0.0 111.903 -169.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.1 p90 56.31 -39.87 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 130.025 3.33 . . . . 0.0 116.905 -172.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -70.11 68.53 0.32 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.613 2.365 . . . . 0.0 112.905 -177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.3 p -52.65 133.58 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 160.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.27 45.38 3.44 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 116.184 1.234 . . . . 0.0 116.184 -142.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 p -87.55 110.02 20.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 118.551 1.176 . . . . 0.0 108.583 164.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.7 t -135.74 159.24 39.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 125.164 1.386 . . . . 0.0 108.387 -166.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 15.0 m -149.08 155.79 41.25 Favored 'General case' 0 C--N 1.33 -0.271 0 O-C-N 119.699 -1.876 . . . . 0.0 110.894 166.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 mm -120.82 136.33 58.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 C-N-CA 125.819 1.648 . . . . 0.0 109.002 -178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.69 -105.11 0.34 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.894 2.078 . . . . 0.0 107.882 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -77.91 94.63 4.6 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 120.943 -1.098 . . . . 0.0 110.577 170.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.38 65.15 0.42 Allowed 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.564 -0.71 . . . . 0.0 111.59 165.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -72.65 39.2 0.75 Allowed Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.408 1.48 . . . . 0.0 114.179 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -144.02 -81.02 0.18 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.019 1.328 . . . . 0.0 110.478 -169.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.9 t -108.28 152.77 24.17 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 123.643 1.687 . . . . 0.0 111.702 161.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -52.22 3.41 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.902 1 C-N-CA 136.039 5.736 . . . . 0.0 117.866 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.6 tt -48.12 -50.58 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 119.961 1.255 . . . . 0.0 114.078 -161.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.436 ' H ' ' HG ' ' A' ' 101' ' ' LEU 0.355 0.1 OUTLIER -61.28 -11.69 10.62 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 117.141 2.275 . . . . 0.0 117.141 179.323 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 13.9 t -109.04 -11.8 14.91 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.904 1.816 . . . . 0.0 115.904 162.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 77.7 p -109.88 -16.46 13.86 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.701 2.111 . . . . 0.0 116.701 -174.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.42 ' CD2' ' H ' ' A' ' 105' ' ' ALA . 0.6 OUTLIER -64.82 170.63 4.05 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 124.419 2.057 . . . . 0.0 113.813 -175.183 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.42 ' H ' ' CD2' ' A' ' 104' ' ' LEU . . . . . . . . 0 C--O 1.251 1.177 0 CA-C-N 110.295 -3.138 . . . . 0.0 112.904 160.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 118.627 -0.701 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -68.97 -178.09 1.9 Allowed 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 122.816 2.344 . . . . 0.0 112.73 161.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.2 t -60.37 -48.28 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.611 0.765 . . . . 0.0 111.462 170.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -92.77 178.98 5.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.41 1.084 . . . . 0.0 110.144 164.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -66.88 159.72 27.69 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 114.013 1.116 . . . . 0.0 114.013 -173.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -90.22 -40.49 12.15 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.792 1.237 . . . . 0.0 113.807 -165.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.53 -47.81 80.12 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.192 1.397 . . . . 0.0 112.792 -175.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 m -63.3 -49.94 72.03 Favored 'General case' 0 C--O 1.232 0.139 0 C-N-CA 126.169 1.787 . . . . 0.0 111.242 -174.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -51.15 76.45 Favored 'Isoleucine or valine' 0 C--N 1.343 0.325 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.399 176.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -53.82 -57.2 11.79 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 119.613 1.097 . . . . 0.0 111.906 177.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -56.7 -57.4 12.58 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.976 0.91 . . . . 0.0 110.932 -178.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -66.5 -34.12 77.21 Favored 'General case' 0 C--N 1.344 0.338 0 CA-C-O 118.877 -0.583 . . . . 0.0 112.172 -175.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 tt -71.64 -41.49 68.74 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.147 0.885 . . . . 0.0 111.662 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.42 94.47 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.34 0.973 . . . . 0.0 111.975 171.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.2 tt -55.47 -39.53 70.5 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.25 1.02 . . . . 0.0 111.15 172.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -63.84 -57.08 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 119.115 0.87 . . . . 0.0 112.975 167.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 10.1 mt -57.21 -17.84 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.706 1.602 . . . . 0.0 113.788 -177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -47.69 -34.94 8.85 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.727 1.611 . . . . 0.0 113.354 164.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 52.6 p -149.35 -14.89 0.29 Allowed 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 172.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.8 169.49 54.24 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 124.937 1.256 . . . . 0.0 113.201 178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.03 129.95 46.14 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.441 -1.035 . . . . 0.0 112.811 -171.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.4 p90 -133.82 166.88 21.62 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.775 1.63 . . . . 0.0 113.248 -178.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.0 t -140.67 149.62 42.47 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.953 2.101 . . . . 0.0 110.107 175.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.7 mt -140.21 135.11 32.05 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.849 1.26 . . . . 0.0 114.154 -166.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 95.59 149.71 26.04 Favored Glycine 0 CA--C 1.529 0.94 0 C-N-CA 124.551 1.072 . . . . 0.0 111.876 175.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -54.36 -65.52 0.56 Allowed 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -161.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.42 -20.06 60.82 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.281 -0.887 . . . . 0.0 111.968 -178.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 m -59.37 -52.98 63.28 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.854 1.261 . . . . 0.0 111.677 169.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.285 4.9 t -61.48 -53.1 60.91 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 116.222 -1.847 . . . . 0.0 109.647 172.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.581 HG13 ' CE2' ' A' ' 59' ' ' TYR . 55.5 t -43.87 -55.17 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 122.025 2.193 . . . . 0.0 113.29 176.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -49.2 -57.7 6.27 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.265 1.426 . . . . 0.0 111.278 171.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.2 m -60.11 -31.87 70.45 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.661 1.584 . . . . 0.0 114.039 -178.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.0 mt -82.84 -34.76 26.78 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.171 1.389 . . . . 0.0 112.017 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.5 mtp180 -67.0 -25.8 66.48 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.935 0.894 . . . . 0.0 111.777 169.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -72.37 0.14 10.89 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 125.22 1.408 . . . . 0.0 113.594 162.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.76 -36.12 1.03 Allowed Glycine 0 CA--C 1.532 1.144 0 C-N-CA 127.594 2.521 . . . . 0.0 116.516 166.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -73.59 24.11 0.07 Allowed 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 127.343 2.257 . . . . 0.0 116.331 -162.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 56.4 p -90.84 172.99 8.23 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.36 2.264 . . . . 0.0 113.399 177.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -138.07 -19.74 1.13 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 167.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.505 HD11 HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -148.5 141.42 24.77 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 120.166 1.348 . . . . 0.0 111.185 175.843 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 pt -115.0 140.73 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.188 1.395 . . . . 0.0 111.383 169.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.556 HG21 HD22 ' A' ' 77' ' ' LEU . 15.2 mm -112.54 138.15 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.845 0.858 . . . . 0.0 108.933 169.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.3 mt -123.59 90.38 1.6 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.78 0.832 . . . . 0.0 109.159 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.87 85.37 2.16 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.585 1.954 . . . . 0.0 108.97 161.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -158.79 169.48 24.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.133 0.973 . . . . 0.0 111.534 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -61.05 76.95 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.426 1.89 . . . . 0.0 109.979 169.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.0 m -112.36 91.56 16.84 Favored Pre-proline 0 CA--C 1.539 0.525 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -164.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -74.02 170.35 20.32 Favored 'Trans proline' 0 CA--C 1.541 0.85 0 C-N-CA 122.985 2.457 . . . . 0.0 111.532 168.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.8 t -52.02 -53.02 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.29 1.436 . . . . 0.0 112.926 -170.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.7 mt -60.78 -40.46 92.64 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.533 0.606 . . . . 0.0 112.125 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -65.48 -52.17 54.81 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.241 1.416 . . . . 0.0 110.552 179.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -57.85 -48.58 79.38 Favored 'General case' 0 C--N 1.349 0.57 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.0 m -77.39 -17.75 57.91 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 117.206 -1.378 . . . . 0.0 113.349 -171.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -61.06 -51.35 69.53 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.829 1.649 . . . . 0.0 110.023 159.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mt -60.53 -43.77 96.81 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-O 121.696 0.76 . . . . 0.0 112.59 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -57.67 -41.37 81.39 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 127.74 2.416 . . . . 0.0 111.212 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -59.37 -45.16 92.2 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.275 1.03 . . . . 0.0 111.42 173.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.581 ' CE2' HG13 ' A' ' 31' ' ' VAL . 32.2 m-85 -72.81 -31.39 64.79 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.36 -0.837 . . . . 0.0 113.256 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.31 -37.68 72.85 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 119.279 0.945 . . . . 0.0 112.067 167.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -75.52 -40.38 57.07 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.65 1.98 . . . . 0.0 114.146 175.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 47.0 mt -69.19 -51.72 35.11 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.529 1.059 . . . . 0.0 111.945 176.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.4 p -62.79 -175.74 0.1 Allowed 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 158.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -121.9 85.16 2.36 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.025 -1.672 . . . . 0.0 108.767 175.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.4 m -144.35 134.6 24.33 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.993 1.317 . . . . 0.0 110.792 -153.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -78.96 154.31 29.68 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.981 1.312 . . . . 0.0 111.386 176.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.03 130.47 74.22 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.242 1.417 . . . . 0.0 111.198 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -126.2 107.69 10.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.684 1.194 . . . . 0.0 111.752 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -82.8 115.08 21.55 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.259 1.024 . . . . 0.0 112.652 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -130.13 14.17 5.69 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.449 2.3 . . . . 0.0 111.69 -176.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -66.79 -5.15 11.05 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 119.514 -1.991 . . . . 0.0 113.998 175.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -85.78 0.46 87.96 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 125.99 1.757 . . . . 0.0 114.601 163.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.27 -39.54 1.36 Allowed Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.584 1.564 . . . . 0.0 111.405 161.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.53 -68.7 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 128.389 2.676 . . . . 0.0 115.422 166.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.24 -20.0 65.99 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.229 1.412 . . . . 0.0 113.074 171.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -76.49 -173.12 2.4 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.73 1.212 . . . . 0.0 112.883 -174.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 43' ' ' ILE . 16.1 tp 67.75 -27.02 0.13 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.44 2.296 . . . . 0.0 114.709 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.72 -37.84 14.8 Favored Glycine 0 N--CA 1.477 1.375 0 CA-C-N 120.26 1.391 . . . . 0.0 112.09 159.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 m -53.34 -37.9 62.75 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.569 2.747 . . . . 0.0 113.304 169.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -91.06 -46.2 8.26 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.335 1.454 . . . . 0.0 113.055 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 m -71.77 -13.52 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.09 64.23 2.73 Favored Glycine 0 C--N 1.341 0.808 0 C-N-CA 124.572 1.082 . . . . 0.0 111.429 167.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 40.0 mmtm -141.74 162.46 35.42 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.419 1.488 . . . . 0.0 110.72 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 91.5 mt -70.47 -27.26 64.09 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -82.44 116.19 21.79 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.983 0.913 . . . . 0.0 112.029 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -74.13 73.46 1.74 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.427 1.091 . . . . 0.0 111.224 169.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.5 p -157.97 164.34 1.09 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 127.61 2.364 . . . . 0.0 108.249 166.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -153.81 69.82 0.29 Allowed Glycine 0 CA--C 1.527 0.817 0 O-C-N 121.59 -0.694 . . . . 0.0 114.72 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 4.3 p -92.35 112.59 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 157.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.7 t -135.06 157.78 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.423 1.489 . . . . 0.0 109.057 -162.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 m -144.53 155.25 43.59 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 120.386 -1.446 . . . . 0.0 111.037 157.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.5 mm -119.74 139.31 47.48 Favored 'Isoleucine or valine' 0 C--O 1.242 0.697 0 C-N-CA 126.174 1.79 . . . . 0.0 108.776 -176.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 mp -116.28 -96.15 0.47 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.94 1.696 . . . . 0.0 108.097 -173.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -77.09 92.84 3.8 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.546 1.138 . . . . 0.0 110.086 173.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.0 44.87 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.463 1.505 . . . . 0.0 112.693 163.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -75.51 41.14 1.36 Allowed Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.996 1.76 . . . . 0.0 114.004 -174.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -144.49 -81.69 0.17 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.219 1.407 . . . . 0.0 109.725 -173.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.6 t -109.99 159.43 17.29 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.929 1.292 . . . . 0.0 111.275 160.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -67.55 9.64 0.24 Allowed 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 127.801 2.44 . . . . 0.0 116.652 -166.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.4 tt -38.8 -63.03 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.131 1.372 . . . . 0.0 113.806 -145.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.473 HD22 ' H ' ' A' ' 101' ' ' LEU 0.262 0.0 OUTLIER -62.89 -5.05 2.51 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 116.157 1.91 . . . . 0.0 116.157 -172.968 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 68.9 p -74.46 -77.3 0.12 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.464 1.106 . . . . 0.0 110.171 159.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 46.6 p -69.3 -31.86 70.62 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 128.228 2.611 . . . . 0.0 115.045 -172.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.76 87.78 0.98 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.495 1.518 . . . . 0.0 108.517 173.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.641 1.977 . . . . 0.0 113.932 -179.622 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -77.12 179.22 6.73 Favored 'Trans proline' 0 CA--C 1.542 0.913 0 C-N-CA 124.307 3.338 . . . . 0.0 111.774 169.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.7 t -58.8 127.08 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.707 1.203 . . . . 0.0 110.273 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.49 ' HE3' ' HB3' ' A' ' 76' ' ' GLU . 52.2 tttt -75.02 49.29 0.43 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.411 1.484 . . . . 0.0 114.307 -174.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 m -56.08 -36.34 68.0 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.384 -1.448 . . . . 0.0 111.718 171.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.457 ' CD ' ' H ' ' A' ' 7' ' ' GLN . 4.3 pm0 -57.7 -5.73 0.42 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 129.047 2.939 . . . . 0.0 116.142 168.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HA ' ' HE2' ' A' ' 5' ' ' LYS . 9.8 tp10 -51.52 -40.62 59.97 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 120.203 1.365 . . . . 0.0 111.335 163.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 p -39.25 -63.4 0.55 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.906 2.082 . . . . 0.0 113.591 168.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -48.14 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.773 0.829 . . . . 0.0 111.633 174.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -52.22 -56.53 14.1 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 125.007 1.323 . . . . 0.0 112.488 -176.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -65.13 -40.3 94.25 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.479 0.712 . . . . 0.0 111.232 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HE3' ' HA ' ' A' ' 100' ' ' ILE . 57.0 tttp -63.15 -43.35 98.58 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.117 1.367 . . . . 0.0 111.377 174.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.71 -37.27 82.04 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.141 0.976 . . . . 0.0 111.886 175.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.459 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -63.72 -46.3 86.01 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.254 0.934 . . . . 0.0 111.609 172.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.33 -39.6 73.06 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.492 1.117 . . . . 0.0 111.537 173.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.93 -62.45 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.489 166.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.7 mt -49.99 -32.51 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 125.892 1.677 . . . . 0.0 113.518 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.32 -18.06 9.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.111 1.765 . . . . 0.0 114.354 174.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.8 p -148.42 -21.35 0.33 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 116.785 2.143 . . . . 0.0 116.785 163.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -85.4 158.66 32.85 Favored Glycine 0 CA--C 1.535 1.289 0 C-N-CA 125.551 1.548 . . . . 0.0 113.513 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -87.04 127.45 35.11 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.261 1.024 . . . . 0.0 112.257 -168.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -130.39 174.48 9.82 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.895 1.678 . . . . 0.0 113.252 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.7 t -146.78 153.88 40.72 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.129 1.771 . . . . 0.0 111.18 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.2 mt -140.43 130.56 24.9 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 125.879 1.672 . . . . 0.0 112.835 -169.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 91.71 150.34 25.37 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.155 0.883 . . . . 0.0 112.64 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.421 ' CE1' HD21 ' A' ' 56' ' ' LEU . 32.1 t80 -54.07 -55.84 23.69 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.223 1.009 . . . . 0.0 113.568 -164.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -55.58 -44.77 77.23 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.909 0.884 . . . . 0.0 111.735 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -60.34 -49.94 75.61 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 126.851 2.06 . . . . 0.0 112.476 -179.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.28 8.8 t -61.19 -63.15 1.39 Allowed 'General case' 0 C--N 1.345 0.401 0 CA-C-O 116.285 -1.817 . . . . 0.0 109.595 170.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.3 t -44.0 -51.33 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 121.818 2.099 . . . . 0.0 112.967 -177.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttpp -48.83 -60.7 2.53 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.822 1.249 . . . . 0.0 111.255 170.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 m -62.01 -35.95 80.09 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.34 1.456 . . . . 0.0 113.671 -176.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.22 -44.64 68.18 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.572 0.749 . . . . 0.0 110.789 174.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mtp180 -65.5 -25.24 67.39 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.449 0.699 . . . . 0.0 112.572 174.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -76.3 0.59 18.81 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.342 1.457 . . . . 0.0 114.093 165.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 73.12 -22.43 0.96 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.369 1.938 . . . . 0.0 116.913 167.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -72.38 -4.99 33.29 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.466 1.507 . . . . 0.0 114.816 -172.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -63.48 160.62 16.02 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.32 -0.862 . . . . 0.0 112.725 170.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.1 tppm? -138.83 -13.55 1.24 Allowed 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 163.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.428 HD11 HD11 ' A' ' 43' ' ' ILE . 0.6 OUTLIER -144.3 141.82 30.02 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.796 1.18 . . . . 0.0 111.126 171.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 14.5 pt -119.31 144.14 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.367 1.467 . . . . 0.0 111.608 168.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.428 HD11 HD11 ' A' ' 41' ' ' LEU . 18.2 mm -116.52 136.17 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 124.737 1.215 . . . . 0.0 108.318 168.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mt -118.76 111.69 34.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 164.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.638 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -122.98 59.32 1.07 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.782 1.633 . . . . 0.0 111.654 174.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.32 169.32 21.09 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.868 1.267 . . . . 0.0 111.106 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -68.67 33.32 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 127.244 2.218 . . . . 0.0 114.127 175.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 46.0 m -68.45 111.96 9.65 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 127.924 2.49 . . . . 0.0 111.581 -170.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_endo -71.32 165.4 32.56 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 122.599 2.2 . . . . 0.0 112.364 -178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.6 t -49.33 -56.27 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.731 1.612 . . . . 0.0 113.119 -167.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.6 mt -60.81 -35.31 76.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 118.731 0.696 . . . . 0.0 112.525 -178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG3' ' CE1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -71.87 -50.94 24.97 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.417 1.487 . . . . 0.0 110.639 179.311 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -58.84 -46.67 87.16 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.3 m -77.21 -16.97 58.84 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-O 118.016 -0.992 . . . . 0.0 113.376 -172.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -65.69 -46.58 78.5 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 120.181 1.355 . . . . 0.0 110.987 160.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.421 HD21 ' CE1' ' A' ' 27' ' ' TYR . 4.0 mt -59.32 -44.58 92.57 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.233 0.924 . . . . 0.0 112.55 174.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -58.47 -41.02 84.26 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 127.631 2.373 . . . . 0.0 110.889 175.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -62.81 -47.9 81.42 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.27 1.428 . . . . 0.0 111.801 171.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -63.08 -38.09 89.82 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.052 0.842 . . . . 0.0 112.514 174.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.09 -49.54 76.58 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.086 0.857 . . . . 0.0 111.663 170.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.2 ttp -56.94 -40.0 75.57 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.172 1.389 . . . . 0.0 112.826 174.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.3 mt -65.2 -65.67 0.64 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.304 0.956 . . . . 0.0 111.658 172.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 84.4 p -71.94 47.45 0.15 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 129.102 2.961 . . . . 0.0 114.261 -169.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -31.52 94.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.578 1.551 . . . . 0.0 112.234 -133.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -132.7 143.89 49.93 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 128.375 2.67 . . . . 0.0 109.599 -162.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -78.76 146.39 33.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.637 1.175 . . . . 0.0 110.773 178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.6 t -109.43 143.37 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 124.813 1.245 . . . . 0.0 109.772 173.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -137.63 151.69 48.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.593 1.157 . . . . 0.0 111.407 166.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -123.22 103.67 8.68 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.637 1.575 . . . . 0.0 109.081 -178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.638 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 2.0 t80 -98.35 139.38 34.2 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.13 1.372 . . . . 0.0 108.693 -175.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . 0.256 25.9 pt20 -74.17 82.59 1.81 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 122.586 1.184 . . . . 0.0 113.422 -178.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -54.01 -19.01 9.85 Favored Glycine 0 CA--C 1.531 1.076 0 C-N-CA 127.333 2.397 . . . . 0.0 116.09 -177.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -61.24 -8.75 12.99 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 118.855 1.327 . . . . 0.0 114.158 167.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.61 -23.13 37.24 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.898 1.279 . . . . 0.0 113.623 166.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 55.86 -23.5 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 128.634 2.773 . . . . 0.0 115.248 -164.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.49 ' HB3' ' HE3' ' A' ' 5' ' ' LYS . 26.5 mm-40 -55.35 -12.92 1.17 Allowed 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 127.796 2.438 . . . . 0.0 117.461 -167.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.39 -21.97 60.69 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 121.316 1.871 . . . . 0.0 111.924 166.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -50.64 -32.81 25.25 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 124.61 1.1 . . . . 0.0 113.639 163.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 76.9 m -65.43 -22.91 66.82 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 118.886 1.343 . . . . 0.0 112.13 174.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -89.07 -41.6 12.22 Favored 'General case' 0 C--N 1.343 0.306 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 169.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 14.3 m -101.28 -12.91 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -166.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.29 104.03 1.46 Allowed Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.632 1.111 . . . . 0.0 110.579 -172.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -62.8 -4.1 1.92 Allowed 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 115.988 1.847 . . . . 0.0 115.988 -165.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.2 tt -61.58 -34.82 76.26 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 127.082 2.153 . . . . 0.0 112.613 162.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -68.56 153.17 44.28 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 115.143 1.535 . . . . 0.0 115.143 -171.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -126.47 177.21 6.62 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 128.957 2.903 . . . . 0.0 107.449 165.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 12.1 m 37.65 69.67 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 126.216 1.806 . . . . 0.0 113.192 176.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.46 74.23 1.3 Allowed Glycine 0 CA--C 1.527 0.836 0 C-N-CA 125.416 1.484 . . . . 0.0 113.908 -164.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -89.27 116.63 31.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-O 121.587 0.708 . . . . 0.0 109.881 164.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 25.0 t -132.75 155.71 41.55 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 125.962 1.705 . . . . 0.0 108.964 -167.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.9 m -147.0 155.41 42.22 Favored 'General case' 0 C--N 1.33 -0.276 0 O-C-N 120.27 -1.518 . . . . 0.0 111.461 161.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.1 mm -119.63 135.61 59.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 126.615 1.966 . . . . 0.0 108.906 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mp -111.13 -103.89 0.39 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.324 1.85 . . . . 0.0 108.163 -176.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -77.94 81.41 4.34 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.704 1.202 . . . . 0.0 109.697 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.7 11.51 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 128.699 2.799 . . . . 0.0 117.193 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -62.18 55.54 0.04 OUTLIER Glycine 0 CA--C 1.537 1.414 0 C-N-CA 128.251 2.834 . . . . 0.0 118.723 -151.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -139.97 -64.08 0.49 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.374 1.87 . . . . 0.0 109.106 177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -110.17 156.09 21.08 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 123.206 1.479 . . . . 0.0 112.398 162.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -52.45 4.23 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.787 1 C-N-CA 134.18 4.992 . . . . 0.0 117.043 170.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.465 ' HA ' ' HE3' ' A' ' 13' ' ' LYS . 13.0 tt -45.9 -47.35 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 120.327 1.421 . . . . 0.0 113.677 -157.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.458 HD22 ' H ' ' A' ' 101' ' ' LEU 0.351 0.0 OUTLIER -86.08 9.33 17.57 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 116.202 1.927 . . . . 0.0 116.202 -173.131 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.3 t -106.38 -5.71 18.81 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 151.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.2 m -107.39 -39.71 5.58 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.291 1.436 . . . . 0.0 113.281 -175.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.33 81.23 7.55 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.87 2.068 . . . . 0.0 112.134 -164.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 C-N-CA 125.738 1.615 . . . . 0.0 111.848 162.222 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 118.132 -0.937 . . . . 0.0 109.189 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -76.23 66.26 7.07 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.404 2.736 . . . . 0.0 113.964 -168.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.69 -25.96 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.29 1.436 . . . . 0.0 113.954 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -91.27 106.54 18.58 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.544 1.538 . . . . 0.0 107.712 169.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 m -40.38 128.18 2.37 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.381 2.272 . . . . 0.0 115.565 -157.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.516 ' NE2' ' H ' ' A' ' 7' ' ' GLN . 0.0 OUTLIER -45.8 -65.74 0.5 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 129.389 3.076 . . . . 0.0 113.408 -167.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.54 -37.39 67.9 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.642 2.777 . . . . 0.0 112.928 176.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.4 m -70.08 -51.76 29.22 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.759 1.624 . . . . 0.0 110.995 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -44.59 96.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 CA-C-O 118.483 -0.77 . . . . 0.0 110.697 171.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -54.05 -57.0 12.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.624 1.169 . . . . 0.0 111.934 177.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -56.42 -53.19 60.29 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.767 1.227 . . . . 0.0 111.357 176.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.13 -35.46 78.8 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 118.378 0.535 . . . . 0.0 111.984 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.49 -38.94 77.87 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 119.348 0.977 . . . . 0.0 112.686 176.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.99 -42.79 89.34 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 119.893 1.224 . . . . 0.0 111.914 170.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 tt -55.54 -34.48 64.74 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.893 1.277 . . . . 0.0 111.367 171.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.644 HG22 ' H ' ' A' ' 98' ' ' SER . 23.1 t -70.83 -51.51 35.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 126.015 1.726 . . . . 0.0 112.488 170.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.3 mt -57.18 -21.95 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 124.9 1.28 . . . . 0.0 113.545 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -48.41 -33.49 9.29 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 126.361 1.864 . . . . 0.0 114.204 162.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.4 p -158.03 23.9 0.26 Allowed 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.375 1.47 . . . . 0.0 113.163 -154.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -148.86 150.69 22.88 Favored Glycine 0 CA--C 1.526 0.736 0 C-N-CA 123.759 0.695 . . . . 0.0 113.389 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -79.59 114.05 18.22 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.525 1.13 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 42.8 p90 -118.63 168.75 10.41 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.752 1.221 . . . . 0.0 113.968 177.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.4 t -144.07 160.73 40.39 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.401 2.28 . . . . 0.0 110.18 173.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.7 mt -144.4 145.34 31.87 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.284 1.433 . . . . 0.0 112.398 -164.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.04 160.42 21.29 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.249 1.404 . . . . 0.0 113.635 171.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.53 -80.6 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -162.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.99 -23.33 65.92 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.095 -1.628 . . . . 0.0 112.425 -175.324 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 35.5 t -54.59 -58.63 6.73 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 128.507 2.723 . . . . 0.0 113.354 166.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.5 t -69.26 -35.52 76.19 Favored 'General case' 0 C--O 1.214 -0.766 0 CA-C-O 116.344 -1.788 . . . . 0.0 110.789 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.6 HG13 ' CE2' ' A' ' 59' ' ' TYR . 26.8 t -52.73 -55.01 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 122.08 2.218 . . . . 0.0 110.908 173.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.53 -52.5 22.28 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.496 1.519 . . . . 0.0 110.675 170.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.3 m -65.25 -26.94 68.32 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 -177.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 39.3 mt -88.78 -30.88 18.68 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.038 1.735 . . . . 0.0 111.12 176.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -66.58 -21.2 66.14 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.464 1.105 . . . . 0.0 112.384 168.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -69.13 -2.22 9.72 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 161.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 78.04 -39.24 1.81 Allowed Glycine 0 CA--C 1.531 1.081 0 C-N-CA 126.516 2.007 . . . . 0.0 116.162 163.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -72.0 17.89 0.09 Allowed 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -167.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 78.7 p -83.6 167.09 17.63 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.649 1.18 . . . . 0.0 113.721 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.26 -22.8 0.91 Allowed 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.607 1.706 . . . . 0.0 115.607 178.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.48 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -146.13 128.41 15.8 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 120.224 1.374 . . . . 0.0 111.474 176.389 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.502 HG23 HG21 ' A' ' 65' ' ' THR . 15.5 pt -111.58 141.33 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.24 1.416 . . . . 0.0 111.923 167.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.48 HD11 HD11 ' A' ' 41' ' ' LEU . 40.2 mm -118.17 124.57 73.3 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 C-N-CA 127.748 2.419 . . . . 0.0 108.435 175.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mt -116.46 106.14 19.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 177.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.62 64.97 0.8 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 126.316 1.846 . . . . 0.0 110.649 178.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -151.2 161.03 43.47 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.29 1.036 . . . . 0.0 111.702 -176.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.4 p-10 -60.7 68.01 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 129.535 3.134 . . . . 0.0 114.081 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 52.9 m -98.88 110.64 58.23 Favored Pre-proline 0 N--CA 1.469 0.51 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -152.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -77.21 168.5 23.01 Favored 'Trans proline' 0 CA--C 1.539 0.754 0 C-N-CA 123.006 2.471 . . . . 0.0 111.951 170.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.7 t -54.92 -42.49 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.081 1.352 . . . . 0.0 112.226 -177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.4 mt -62.8 -47.51 83.14 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 123.534 0.734 . . . . 0.0 111.988 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 -59.55 -51.11 71.27 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.793 0.837 . . . . 0.0 110.18 176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -59.55 -46.59 88.46 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.2 m -53.22 -47.98 68.51 Favored 'General case' 0 C--O 1.222 -0.364 0 C-N-CA 124.651 1.18 . . . . 0.0 111.428 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -59.57 -50.89 72.13 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 119.525 1.057 . . . . 0.0 111.556 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.1 -41.39 97.3 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-O 121.811 0.815 . . . . 0.0 112.615 -176.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.8 -38.57 91.6 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 128.063 2.545 . . . . 0.0 111.703 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -59.94 -45.68 91.84 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 124.265 1.026 . . . . 0.0 111.535 171.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.6 ' CE2' HG13 ' A' ' 31' ' ' VAL . 31.5 m-85 -69.35 -36.74 77.19 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 121.35 -0.844 . . . . 0.0 112.825 175.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -36.65 68.8 Favored 'General case' 0 CA--C 1.549 0.942 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 169.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 61.5 ttp -77.53 -36.78 52.02 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.137 2.175 . . . . 0.0 114.15 176.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.38 -52.88 28.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.561 1.145 . . . . 0.0 111.431 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.6 p -62.42 -174.24 0.06 Allowed 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.994 0.918 . . . . 0.0 110.456 158.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.1 mmtm -121.83 73.84 1.1 Allowed 'General case' 0 N--CA 1.477 0.875 0 O-C-N 119.561 -1.962 . . . . 0.0 109.838 174.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.502 HG21 HG23 ' A' ' 42' ' ' ILE . 98.2 m -127.91 133.45 49.28 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.141 -155.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -78.05 140.66 39.13 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.419 1.088 . . . . 0.0 109.988 176.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 33.1 t -110.14 132.72 57.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.532 1.133 . . . . 0.0 110.558 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -131.32 106.22 8.14 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.845 0.831 . . . . 0.0 113.21 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -79.48 75.4 6.09 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 125.38 1.472 . . . . 0.0 112.086 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -79.8 42.93 0.56 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.096 2.158 . . . . 0.0 110.77 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -61.5 -14.81 32.19 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 -164.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -90.36 -10.68 63.6 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.728 1.156 . . . . 0.0 114.875 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -76.85 33.9 1.44 Allowed Glycine 0 CA--C 1.533 1.179 0 CA-C-N 119.833 1.817 . . . . 0.0 114.219 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -55.32 -18.07 5.83 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 130.159 3.384 . . . . 0.0 116.559 -165.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.64 -28.01 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.946 1.698 . . . . 0.0 110.862 172.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' H ' ' CD ' ' A' ' 76' ' ' GLU . 13.0 mp0 -66.09 -43.87 86.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 129.165 2.986 . . . . 0.0 109.474 -170.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.9 tp -65.05 -31.0 72.0 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.974 -0.454 . . . . 0.0 111.891 174.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -60.45 -20.99 56.63 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.046 -0.863 . . . . 0.0 113.807 168.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 90.5 m -87.91 -29.77 20.6 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.228 1.514 . . . . 0.0 111.963 169.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.13 -41.38 98.2 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.684 1.129 . . . . 0.0 111.451 172.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.8 m -92.3 -19.04 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 123.587 0.755 . . . . 0.0 112.724 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.32 56.11 11.04 Favored Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.653 1.596 . . . . 0.0 112.506 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 36.7 mmtm -141.06 164.34 30.54 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.689 1.196 . . . . 0.0 112.918 -174.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 41.8 tp -76.35 -24.47 54.23 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -168.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -67.38 -24.92 65.74 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -172.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 63.66 -59.94 0.17 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 128.81 2.844 . . . . 0.0 114.823 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.5 p -103.12 125.69 57.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 127.001 2.121 . . . . 0.0 110.821 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 166.03 -171.51 41.15 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 116.675 1.43 . . . . 0.0 116.675 -175.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.01 145.87 11.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 C-N-CA 126.612 1.965 . . . . 0.0 110.862 172.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.0 t -131.98 142.45 42.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 127.556 2.342 . . . . 0.0 106.878 175.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 m -134.6 148.24 50.39 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 118.798 0.726 . . . . 0.0 110.702 171.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 7.2 mm -121.46 136.72 57.46 Favored 'Isoleucine or valine' 0 C--O 1.241 0.654 0 C-N-CA 125.512 1.525 . . . . 0.0 108.719 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.0 mp -110.61 -61.84 1.62 Allowed 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.031 1.332 . . . . 0.0 110.583 -171.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -130.74 94.03 3.54 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 124.291 1.036 . . . . 0.0 109.878 -174.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.48 98.0 10.35 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.795 0.838 . . . . 0.0 110.624 174.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -63.13 -38.75 97.04 Favored Glycine 0 CA--C 1.534 1.255 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 170.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -141.82 152.14 43.42 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 106.964 -1.495 . . . . 0.0 106.964 148.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.644 ' H ' HG22 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -109.31 177.96 4.59 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 118.94 -2.35 . . . . 0.0 112.969 -8.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -71.72 18.31 0.08 Allowed 'General case' 0 CA--C 1.551 1.003 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -162.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.404 ' CG2' HG21 ' A' ' 17' ' ' VAL . 8.5 tt -54.39 -31.52 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 O-C-N 120.164 -1.585 . . . . 0.0 113.48 -172.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.406 ' H ' ' HG ' ' A' ' 101' ' ' LEU 0.324 0.2 OUTLIER -70.94 -9.36 57.72 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 115.668 1.729 . . . . 0.0 115.668 176.153 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.4 -64.89 1.0 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.252 1.021 . . . . 0.0 109.52 147.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.58 89.36 2.97 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.992 1.317 . . . . 0.0 112.699 -158.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.5 tt -102.85 -33.73 9.24 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.64 1.576 . . . . 0.0 114.155 174.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.207 0 C-N-CA 131.486 3.915 . . . . 0.0 114.208 -4.227 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.988 0 CA-C-O 117.55 -1.215 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -53.19 165.15 1.49 Allowed 'Trans proline' 0 CA--C 1.535 0.53 0 C-N-CA 123.675 2.916 . . . . 0.0 114.887 169.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.465 HG22 ' H ' ' A' ' 5' ' ' LYS . 2.5 p -82.85 -170.8 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 159.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' H ' HG22 ' A' ' 4' ' ' VAL . 1.9 ptmm? -59.71 16.37 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.772 1.767 . . . . 0.0 115.772 172.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 p -66.63 7.5 0.34 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 128.904 2.882 . . . . 0.0 115.79 -167.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 -68.29 -27.3 66.19 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 115.294 1.59 . . . . 0.0 115.294 -164.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -42.06 18.21 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 119.989 1.268 . . . . 0.0 110.775 170.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.9 m -59.62 -48.4 81.81 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 128.467 2.707 . . . . 0.0 110.589 -174.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.8 -53.56 25.8 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.282 0 C-N-CA 125.489 1.516 . . . . 0.0 111.166 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -57.82 -51.17 70.69 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 119.153 0.888 . . . . 0.0 111.165 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -67.22 -48.27 68.35 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.378 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -61.26 -38.74 87.79 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.146 0.884 . . . . 0.0 111.52 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 tt -68.79 -44.69 73.09 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.77 0.828 . . . . 0.0 111.296 178.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.0 -42.8 99.14 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.428 1.013 . . . . 0.0 112.059 172.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 tt -57.33 -43.08 83.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.634 1.174 . . . . 0.0 110.889 173.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 5.0 t -61.04 -53.71 45.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 124.343 1.057 . . . . 0.0 112.629 170.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mt -54.72 -18.92 3.42 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.825 0 C-N-CA 126.331 1.852 . . . . 0.0 113.643 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -48.52 -36.43 15.31 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.373 1.469 . . . . 0.0 113.624 166.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.8 p -151.87 -12.1 0.19 Allowed 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 174.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.37 152.64 36.21 Favored Glycine 0 CA--C 1.534 1.222 0 CA-C-N 119.67 1.123 . . . . 0.0 112.428 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -85.55 116.49 23.88 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 124.576 1.15 . . . . 0.0 111.861 -171.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -123.39 175.17 6.89 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.237 1.815 . . . . 0.0 113.716 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.7 t -146.17 148.83 32.95 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.823 2.049 . . . . 0.0 110.576 173.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 87.7 mt -136.86 129.7 30.65 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.509 1.523 . . . . 0.0 113.543 -168.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.76 150.18 26.39 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 123.991 0.805 . . . . 0.0 112.195 177.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -55.94 -57.9 10.13 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -165.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -55.01 -43.02 73.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.056 0.942 . . . . 0.0 111.686 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -57.7 -57.57 12.15 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 125.543 1.537 . . . . 0.0 111.465 177.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.251 8.4 t -59.96 -51.24 70.52 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-O 117.315 -1.326 . . . . 0.0 110.464 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG13 ' CE2' ' A' ' 59' ' ' TYR . 70.0 t -49.81 -51.51 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 CA-C-N 121.394 1.906 . . . . 0.0 112.552 177.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -56.08 -50.55 70.71 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.551 0.74 . . . . 0.0 111.699 173.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -60.24 -48.34 82.13 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.544 1.538 . . . . 0.0 112.39 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 64.1 mt -67.67 -34.76 77.57 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.662 1.185 . . . . 0.0 111.843 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -74.7 -35.57 62.72 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.385 -0.817 . . . . 0.0 112.924 176.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -106.17 -13.21 15.49 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 116.194 1.924 . . . . 0.0 116.194 -173.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.45 174.07 22.75 Favored Glycine 0 CA--C 1.533 1.195 0 CA-C-N 120.293 1.406 . . . . 0.0 115.044 -169.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.78 73.04 2.06 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.491 1.516 . . . . 0.0 111.603 -174.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.0 p -56.09 152.68 10.17 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.897 1.279 . . . . 0.0 112.614 167.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.81 -32.71 0.48 Allowed 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.868 1.803 . . . . 0.0 115.868 166.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.462 HD11 HD11 ' A' ' 43' ' ' ILE . 1.3 tm? -142.12 131.14 23.16 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.783 1.233 . . . . 0.0 109.657 177.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.2 pt -112.93 147.0 16.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 123.798 0.839 . . . . 0.0 111.82 171.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.678 HG21 HD22 ' A' ' 77' ' ' LEU . 21.1 mm -122.72 125.15 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 124.796 1.239 . . . . 0.0 109.566 172.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -102.45 88.0 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 164.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -106.2 57.53 0.66 Allowed 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 122.929 1.347 . . . . 0.0 109.546 163.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -143.94 140.13 29.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.705 1.602 . . . . 0.0 107.481 174.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.74 77.27 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 126.007 1.723 . . . . 0.0 112.391 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 85.3 m -106.45 121.45 45.23 Favored Pre-proline 0 N--CA 1.466 0.351 0 C-N-CA 127.361 2.265 . . . . 0.0 110.669 -162.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.82 167.89 25.34 Favored 'Trans proline' 0 CA--C 1.541 0.846 0 C-N-CA 123.057 2.505 . . . . 0.0 112.594 176.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.1 t -52.81 -51.33 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 125.679 1.592 . . . . 0.0 113.014 -170.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.4 mt -57.6 -50.35 73.43 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 118.876 0.762 . . . . 0.0 111.371 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.42 -48.32 82.25 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.736 2.014 . . . . 0.0 111.612 -179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -61.77 -44.38 97.01 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 118.704 -0.665 . . . . 0.0 109.331 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.0 p -58.38 -34.49 70.77 Favored 'General case' 0 C--N 1.346 0.427 0 CA-C-O 118.528 -0.749 . . . . 0.0 112.323 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -66.95 -48.16 69.44 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.125 0.875 . . . . 0.0 111.477 173.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.2 mt -58.99 -45.59 90.27 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-O 122.056 0.931 . . . . 0.0 112.447 175.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -59.58 -37.79 79.45 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.295 2.238 . . . . 0.0 111.563 175.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -61.98 -47.26 85.63 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 125.128 1.371 . . . . 0.0 111.632 170.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CE2' HG13 ' A' ' 31' ' ' VAL . 31.4 m-85 -66.43 -34.61 78.33 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 119.411 1.005 . . . . 0.0 113.107 176.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.45 -48.03 83.0 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.918 0.781 . . . . 0.0 112.134 168.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 60.0 ttp -60.31 -42.04 94.74 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.477 1.511 . . . . 0.0 112.497 176.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 65.2 mt -63.77 -68.25 0.36 Allowed 'General case' 0 C--O 1.237 0.398 0 C-N-CA 124.66 1.184 . . . . 0.0 110.735 172.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 81.9 p -79.89 62.46 4.12 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.243 1.817 . . . . 0.0 111.37 -172.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm -33.89 98.03 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 127.303 2.241 . . . . 0.0 113.466 -145.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.5 m -141.63 149.33 40.52 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 126.487 1.915 . . . . 0.0 112.24 -162.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 12.9 tmtt? -86.39 149.41 25.03 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.959 0.904 . . . . 0.0 111.232 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 32.8 t -114.09 152.22 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.139 1.376 . . . . 0.0 111.384 -174.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -140.46 149.96 43.2 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.716 1.207 . . . . 0.0 111.85 171.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -129.97 120.22 24.45 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 125.393 1.477 . . . . 0.0 110.857 -176.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.532 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 1.3 t80 -149.11 37.91 0.79 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.026 1.331 . . . . 0.0 110.107 -167.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -104.66 54.02 0.72 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.84 1.656 . . . . 0.0 111.221 -172.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.06 38.44 0.53 Allowed Glycine 0 CA--C 1.532 1.139 0 C-N-CA 128.001 2.715 . . . . 0.0 114.168 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 78.54 -12.69 20.11 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.549 1.547 . . . . 0.0 114.61 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -121.02 3.92 10.45 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-N 119.309 1.555 . . . . 0.0 113.57 -159.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 48.0 45.35 19.17 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.659 2.384 . . . . 0.0 112.5 -174.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -47.59 -46.0 27.82 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.761 2.025 . . . . 0.0 116.367 -156.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.678 HD22 HG21 ' A' ' 43' ' ' ILE . 29.3 tp -62.61 -14.08 38.83 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.295 1.038 . . . . 0.0 113.378 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -47.68 -31.64 7.51 Favored Glycine 0 CA--C 1.536 1.397 0 CA-C-N 118.855 0.752 . . . . 0.0 112.085 162.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.1 m -54.39 -44.81 72.61 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.707 1.603 . . . . 0.0 112.08 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.25 -58.47 4.36 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.04 0.936 . . . . 0.0 111.146 168.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.3 m -99.69 -11.7 8.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 116.959 2.207 . . . . 0.0 116.959 -154.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -151.03 -17.54 0.07 OUTLIER Glycine 0 N--CA 1.474 1.201 0 N-CA-C 117.791 1.876 . . . . 0.0 117.791 -175.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 47.95 -78.1 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 129.729 3.212 . . . . 0.0 113.345 -176.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.5 mp -64.21 -51.0 65.83 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.294 2.238 . . . . 0.0 110.9 172.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -80.07 86.65 5.51 Favored 'General case' 0 C--N 1.342 0.273 0 CA-C-O 123.603 1.668 . . . . 0.0 110.235 173.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -72.87 64.1 0.67 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 126.978 2.111 . . . . 0.0 111.861 -174.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.0 t -139.71 110.17 4.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 126.74 2.016 . . . . 0.0 108.529 177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.04 33.83 5.91 Favored Glycine 0 CA--C 1.531 1.092 0 C-N-CA 124.564 1.078 . . . . 0.0 113.801 -176.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.9 p -78.58 109.05 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 118.63 1.215 . . . . 0.0 108.827 164.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -127.29 157.9 38.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 125.395 1.478 . . . . 0.0 109.031 -170.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.6 m -145.53 154.05 41.77 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 120.168 -1.582 . . . . 0.0 110.323 158.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.7 mm -122.72 137.04 57.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 C-N-CA 125.855 1.662 . . . . 0.0 108.625 -177.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.3 mp -110.37 -63.79 1.34 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.039 1.735 . . . . 0.0 109.645 -171.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.7 mp0 -121.93 93.28 3.95 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 125.081 1.352 . . . . 0.0 109.335 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.75 62.84 0.59 Allowed 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.881 -0.512 . . . . 0.0 111.504 169.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -71.8 37.85 0.62 Allowed Glycine 0 CA--C 1.533 1.17 0 C-N-CA 125.704 1.621 . . . . 0.0 113.51 175.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -141.46 -88.58 0.16 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.0 1.72 . . . . 0.0 109.505 -170.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.7 t -110.23 166.24 11.12 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 123.272 1.511 . . . . 0.0 113.146 165.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -53.39 4.2 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.961 1 C-N-CA 134.703 5.201 . . . . 0.0 119.868 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.9 tt -51.47 -50.93 27.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.192 0 CA-C-N 121.801 2.091 . . . . 0.0 113.974 -161.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.36 0.1 OUTLIER -65.38 -6.16 9.44 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 176.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.2 t -108.07 -11.44 15.29 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 162.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.9 m -106.92 -38.1 6.16 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.785 1.175 . . . . 0.0 113.735 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.79 84.81 5.54 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.046 0.939 . . . . 0.0 113.226 -154.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.659 0 C-N-CA 126.859 2.064 . . . . 0.0 112.946 166.069 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.931 0 CA-C-O 118.089 -0.958 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -68.71 149.07 72.96 Favored 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 122.681 2.254 . . . . 0.0 111.994 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -57.59 -42.47 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.254 1.021 . . . . 0.0 111.303 -177.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -73.94 30.92 0.08 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.375 1.87 . . . . 0.0 113.993 -177.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.4 m -79.95 -7.1 58.6 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 116.051 1.871 . . . . 0.0 116.051 -175.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -44.22 -74.61 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 127.236 2.215 . . . . 0.0 115.586 -161.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.12 -37.06 73.86 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.481 1.112 . . . . 0.0 112.415 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.2 m -65.88 -50.71 63.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.437 1.895 . . . . 0.0 111.216 -177.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -45.64 98.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 CA-C-O 117.647 -1.168 . . . . 0.0 110.336 173.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -52.23 -59.19 4.68 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.918 1.235 . . . . 0.0 112.06 175.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -55.34 -55.73 28.19 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.807 1.243 . . . . 0.0 111.013 178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -68.08 -32.95 73.64 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 112.686 0.624 . . . . 0.0 112.686 -173.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 tt -71.42 -38.38 71.4 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.628 174.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.71 98.16 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.374 0.988 . . . . 0.0 112.056 169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.0 tt -52.6 -46.88 67.18 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.408 1.083 . . . . 0.0 110.577 171.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.8 t -58.58 -56.62 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 123.984 0.914 . . . . 0.0 111.843 171.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.5 mt -56.86 -14.29 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 C-N-CA 126.54 1.936 . . . . 0.0 114.312 -178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 ttpm? -48.02 -42.84 29.17 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.02 1.328 . . . . 0.0 112.786 163.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.5 p -147.77 -12.66 0.38 Allowed 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 116.102 1.889 . . . . 0.0 116.102 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.5 130.08 9.6 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.088 1.327 . . . . 0.0 110.925 173.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 139.02 38.7 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 122.371 -0.488 . . . . 0.0 110.624 -171.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.9 p90 -135.63 172.94 12.29 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.681 1.192 . . . . 0.0 113.748 -173.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.9 t -143.76 157.56 44.3 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 126.533 1.933 . . . . 0.0 111.147 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 92.9 mt -141.47 128.7 20.99 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.734 1.613 . . . . 0.0 112.951 -168.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.4 154.12 26.08 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.404 1.002 . . . . 0.0 113.311 177.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.443 ' CE1' HD21 ' A' ' 56' ' ' LEU . 26.7 t80 -52.96 -58.5 6.74 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.718 1.207 . . . . 0.0 113.926 -161.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -58.0 -42.86 86.06 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.242 0.617 . . . . 0.0 111.994 178.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 m -59.95 -50.48 73.58 Favored 'General case' 0 C--O 1.239 0.542 0 C-N-CA 126.565 1.946 . . . . 0.0 112.537 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . 0.266 9.7 t -61.23 -62.66 1.68 Allowed 'General case' 0 C--O 1.222 -0.37 0 CA-C-O 116.315 -1.802 . . . . 0.0 109.162 170.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.2 t -44.72 -50.36 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 121.599 1.999 . . . . 0.0 113.119 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.43 -58.29 6.06 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.863 1.265 . . . . 0.0 111.272 171.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -63.95 -35.67 81.44 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 125.625 1.57 . . . . 0.0 114.072 -176.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 35.9 mt -68.36 -42.92 78.49 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.719 0.808 . . . . 0.0 110.366 174.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 mtp180 -66.61 -22.87 66.12 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.996 0.918 . . . . 0.0 112.968 174.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -76.32 -2.98 34.27 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.584 1.153 . . . . 0.0 114.04 164.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.5 -19.39 0.88 Allowed Glycine 0 CA--C 1.537 1.425 0 C-N-CA 125.792 1.663 . . . . 0.0 116.648 171.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.83 -12.41 47.87 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.482 1.913 . . . . 0.0 114.065 -179.101 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.3 p -59.52 153.28 19.92 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 124.909 1.284 . . . . 0.0 113.181 173.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 tppm? -138.72 -21.97 0.98 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 173.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -145.8 137.68 25.23 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.566 1.147 . . . . 0.0 109.907 170.81 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 15.8 pt -114.3 139.06 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 125.111 1.365 . . . . 0.0 110.943 168.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.446 HD11 HD11 ' A' ' 41' ' ' LEU . 29.3 mm -114.84 130.82 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 C-N-CA 124.761 1.225 . . . . 0.0 108.508 170.046 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mt -119.47 107.46 21.35 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 177.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -112.36 80.99 1.4 Allowed 'General case' 0 C--N 1.347 0.465 0 C-N-CA 124.42 1.088 . . . . 0.0 111.582 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -144.39 175.92 9.75 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.231 1.012 . . . . 0.0 110.915 174.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -72.04 41.87 0.08 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.052 1.341 . . . . 0.0 111.494 162.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -54.46 110.36 2.09 Favored Pre-proline 0 N--CA 1.469 0.503 0 C-N-CA 126.645 1.978 . . . . 0.0 112.973 -151.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.36 145.81 76.44 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 123.252 2.635 . . . . 0.0 112.373 171.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.8 t -55.62 -44.54 77.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.308 1.043 . . . . 0.0 112.101 -175.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.64 -39.83 94.38 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 118.816 0.735 . . . . 0.0 111.726 178.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -47.07 68.4 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.358 1.063 . . . . 0.0 110.546 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.2 pttp -61.08 -44.66 97.02 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-O 118.821 -0.609 . . . . 0.0 109.469 174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.6 m -56.18 -43.74 78.69 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.512 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -63.92 -46.31 85.34 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.658 1.117 . . . . 0.0 112.24 175.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.443 HD21 ' CE1' ' A' ' 27' ' ' TYR . 6.9 mt -57.64 -45.98 84.76 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-O 122.173 0.987 . . . . 0.0 113.253 175.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -63.5 -38.45 91.18 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 127.555 2.342 . . . . 0.0 111.794 175.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -60.14 -45.35 93.34 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.122 1.369 . . . . 0.0 111.179 170.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -68.04 -39.24 83.09 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.196 0.907 . . . . 0.0 113.253 173.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.17 -36.98 63.97 Favored 'General case' 0 CA--C 1.551 0.999 0 CA-C-N 119.233 0.924 . . . . 0.0 112.882 169.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 58.3 ttp -79.52 -37.3 36.91 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.162 2.185 . . . . 0.0 114.422 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 53.5 mt -67.56 -54.49 19.45 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.087 1.355 . . . . 0.0 111.003 174.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.8 p -61.73 -176.18 0.08 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.123 0.569 . . . . 0.0 110.122 158.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.36 87.85 2.83 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.169 -1.582 . . . . 0.0 108.454 172.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 95.3 m -142.69 137.05 29.61 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.301 1.44 . . . . 0.0 110.321 -156.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.98 150.02 34.0 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 124.514 1.126 . . . . 0.0 110.502 175.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 24.7 t -115.94 140.06 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.752 1.221 . . . . 0.0 110.575 174.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -132.6 139.85 47.98 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.944 0.897 . . . . 0.0 112.983 164.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -104.64 87.66 2.74 Favored 'General case' 0 C--N 1.337 0.065 0 C-N-CA 125.52 1.528 . . . . 0.0 110.75 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -78.99 40.58 0.41 Allowed 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.338 1.855 . . . . 0.0 108.073 169.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -55.34 138.9 44.58 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 119.875 -1.765 . . . . 0.0 110.709 -164.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -51.45 -19.66 4.6 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 119.117 2.407 . . . . 0.0 119.117 -143.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -67.82 -10.04 57.57 Favored Glycine 0 CA--C 1.538 1.494 0 C-N-CA 125.081 1.324 . . . . 0.0 114.367 169.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 44.1 m-80 -63.28 -172.67 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.939 1.296 . . . . 0.0 111.514 158.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -82.57 -76.26 0.27 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 121.319 -0.863 . . . . 0.0 112.706 -155.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.97 -38.37 0.05 Allowed 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 174.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.1 tp 68.39 -25.02 0.13 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 128.348 2.659 . . . . 0.0 114.804 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -54.98 -32.87 56.65 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-N 119.265 0.939 . . . . 0.0 114.754 175.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 m -70.76 -32.16 69.21 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.107 1.453 . . . . 0.0 111.777 174.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.11 -40.8 78.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.582 0.753 . . . . 0.0 111.789 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 m -87.08 -19.3 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.289 0.635 . . . . 0.0 112.623 176.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.34 39.72 12.22 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 124.534 1.064 . . . . 0.0 111.911 175.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -151.32 95.27 2.13 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 129.536 3.135 . . . . 0.0 105.629 174.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 54.8 mt -71.8 53.96 0.25 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.183 1.793 . . . . 0.0 115.671 -156.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.3 p90 -71.29 156.77 39.14 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 120.975 -1.078 . . . . 0.0 111.95 165.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -93.92 -14.66 25.76 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.889 1.676 . . . . 0.0 113.257 174.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 7.9 p -150.7 141.52 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 C-N-CA 127.02 2.128 . . . . 0.0 108.403 -172.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 162.36 164.41 17.28 Favored Glycine 0 CA--C 1.534 1.249 0 CA-C-O 122.199 0.889 . . . . 0.0 114.576 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.7 p -104.34 143.16 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 C-N-CA 125.449 1.5 . . . . 0.0 110.893 169.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.9 t -129.66 155.11 41.15 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 126.676 1.99 . . . . 0.0 108.046 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.1 m -146.84 146.15 30.11 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 120.26 -1.525 . . . . 0.0 111.062 162.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.0 mm -101.9 136.31 34.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 C-N-CA 126.331 1.852 . . . . 0.0 108.411 174.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.1 mp -110.47 -95.74 0.42 Allowed 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.62 1.968 . . . . 0.0 109.682 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -81.93 79.89 8.35 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 125.754 1.622 . . . . 0.0 109.146 -173.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.35 51.79 0.07 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 128.107 2.563 . . . . 0.0 114.735 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.05 32.51 0.41 Allowed Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.794 1.188 . . . . 0.0 114.547 175.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -142.1 -95.08 0.13 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.569 1.148 . . . . 0.0 111.939 -168.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.0 t -109.84 152.43 25.77 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 123.928 1.823 . . . . 0.0 114.255 173.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -54.61 4.53 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.816 1 C-N-CA 135.319 5.448 . . . . 0.0 117.921 170.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.5 tt -51.16 -39.61 20.66 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 CA-C-N 121.513 1.96 . . . . 0.0 112.628 -170.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.461 ' H ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -53.15 -26.63 17.61 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 128.961 2.904 . . . . 0.0 116.456 171.219 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.1 t -108.63 -14.73 14.57 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 171.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 43.5 p -106.74 -26.46 11.29 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-N 120.654 1.57 . . . . 0.0 114.903 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.0 58.99 2.07 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.467 1.507 . . . . 0.0 109.049 167.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.31 0 C-N-CA 126.465 1.906 . . . . 0.0 110.935 -175.586 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 117.392 -1.289 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -52.79 129.39 32.47 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 123.13 2.553 . . . . 0.0 113.315 -176.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.5 p -52.58 -38.88 27.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.851 1.261 . . . . 0.0 114.105 -168.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.54 0.67 57.48 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 176.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 m -90.32 -40.4 12.14 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.385 0.993 . . . . 0.0 110.789 163.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -43.78 -54.76 4.92 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 127.332 2.253 . . . . 0.0 114.298 -173.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.26 -33.15 63.2 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.112 0.869 . . . . 0.0 112.182 -176.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -70.66 -45.7 64.62 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 125.502 1.521 . . . . 0.0 111.37 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.88 -53.46 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 CA-C-O 118.985 -0.531 . . . . 0.0 109.658 169.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -56.65 -52.91 63.07 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.355 1.062 . . . . 0.0 111.61 -175.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -56.99 -56.28 23.79 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.833 1.253 . . . . 0.0 112.016 176.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.1 ttpt -67.92 -31.39 71.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 118.779 0.718 . . . . 0.0 112.002 -176.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 tt -68.96 -39.04 79.73 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 121.34 -0.85 . . . . 0.0 111.794 173.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.5 ' HB2' ' HA ' ' A' ' 80' ' ' ALA . . . -61.54 -46.42 90.01 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.675 1.125 . . . . 0.0 111.613 170.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.39 -34.35 64.27 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-O 117.615 -1.183 . . . . 0.0 111.788 172.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG21 HG22 ' A' ' 100' ' ' ILE . 28.2 t -70.98 -58.73 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 119.888 1.222 . . . . 0.0 111.614 168.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mt -48.35 -30.71 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 126.323 1.849 . . . . 0.0 114.004 -176.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -58.01 -19.82 33.95 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 174.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 p -142.15 -24.87 0.67 Allowed 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 116.939 2.2 . . . . 0.0 116.939 167.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -79.9 146.12 27.91 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.882 1.23 . . . . 0.0 112.888 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.4 119.91 23.08 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.869 0.868 . . . . 0.0 111.209 -171.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -120.59 171.53 8.5 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.81 1.644 . . . . 0.0 113.167 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.1 t -143.34 152.23 41.39 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.73 2.012 . . . . 0.0 110.378 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.3 mt -139.06 125.83 20.83 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.026 1.33 . . . . 0.0 113.97 -165.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.99 152.45 24.06 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.632 1.111 . . . . 0.0 113.097 175.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' CE2' HD21 ' A' ' 56' ' ' LEU . 31.9 t80 -50.39 -59.74 3.69 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.877 1.271 . . . . 0.0 113.019 -164.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.6 ttpt -52.35 -47.97 65.78 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.34 1.056 . . . . 0.0 112.254 178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -58.95 -56.51 21.27 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 125.964 1.706 . . . . 0.0 111.847 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.9 t -59.35 -55.86 29.44 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 117.046 -1.454 . . . . 0.0 109.457 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.438 HG22 ' CE2' ' A' ' 59' ' ' TYR . 70.5 t -50.04 -46.31 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-N 121.719 2.054 . . . . 0.0 112.966 -179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -56.11 -52.49 64.13 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.026 0.83 . . . . 0.0 112.178 170.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.1 m -58.24 -43.4 87.76 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.064 1.746 . . . . 0.0 113.134 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 49.1 mt -70.7 -41.43 71.96 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.45 1.5 . . . . 0.0 110.921 177.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.2 mtt-85 -62.8 -28.05 69.73 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.847 0.748 . . . . 0.0 112.534 171.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -77.76 4.47 11.61 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 125.166 1.387 . . . . 0.0 114.167 166.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.04 -32.37 1.51 Allowed Glycine 0 CA--C 1.533 1.163 0 C-N-CA 126.223 1.868 . . . . 0.0 116.584 162.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -74.94 15.44 0.39 Allowed 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 -167.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.6 p -75.66 164.69 26.03 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 120.873 -1.142 . . . . 0.0 112.431 172.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -132.54 -22.77 2.14 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.735 1.383 . . . . 0.0 114.735 158.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.454 HD11 HD11 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -141.15 134.61 29.83 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 119.04 0.837 . . . . 0.0 110.738 -179.865 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 12.6 pt -113.01 137.89 44.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.673 1.189 . . . . 0.0 111.077 167.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.454 HD11 HD11 ' A' ' 41' ' ' LEU . 37.8 mm -108.06 129.87 61.52 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.287 0 C-N-CA 124.982 1.313 . . . . 0.0 107.772 169.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.0 mt -118.1 97.93 5.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 172.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.476 ' HB2' ' HB3' ' A' ' 70' ' ' PHE . . . -106.85 53.33 0.7 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.839 1.656 . . . . 0.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -149.8 155.18 39.65 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 121.637 -0.665 . . . . 0.0 111.915 -174.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -61.69 62.93 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 129.571 3.149 . . . . 0.0 113.251 175.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.5 m -94.36 115.1 64.86 Favored Pre-proline 0 CA--C 1.538 0.516 0 C-N-CA 125.545 1.538 . . . . 0.0 111.56 -157.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.48 152.71 25.57 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.283 2.655 . . . . 0.0 113.578 175.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.1 t -58.27 -41.53 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.918 0.887 . . . . 0.0 112.597 -173.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.4 -19.03 63.04 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.195 -0.941 . . . . 0.0 112.547 176.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.89 -43.6 9.91 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 124.403 1.081 . . . . 0.0 110.11 -178.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -42.82 95.18 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-O 119.139 -0.457 . . . . 0.0 110.821 167.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.7 m -60.45 -43.81 96.47 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 118.33 -0.843 . . . . 0.0 112.583 176.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -63.56 -42.59 98.35 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 120.071 1.305 . . . . 0.0 112.811 175.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.456 HD21 ' CE2' ' A' ' 27' ' ' TYR . 5.5 mt -60.8 -44.72 96.48 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.242 -0.911 . . . . 0.0 113.361 174.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -62.75 -36.41 82.97 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 125.602 1.561 . . . . 0.0 112.237 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -62.5 -46.79 86.84 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.399 1.08 . . . . 0.0 111.459 169.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.438 ' CE2' HG22 ' A' ' 31' ' ' VAL . 25.2 m-85 -62.69 -43.44 98.8 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.481 1.037 . . . . 0.0 112.328 173.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.41 -47.0 69.95 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 119.095 0.861 . . . . 0.0 112.133 171.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 48.9 ttp -59.59 -37.13 77.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.158 1.383 . . . . 0.0 112.698 173.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.45 -65.54 0.67 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.701 1.137 . . . . 0.0 111.425 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 93.7 p -77.33 53.71 1.05 Allowed 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 126.434 1.894 . . . . 0.0 113.19 -169.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -31.92 96.43 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.12 1.768 . . . . 0.0 112.837 -136.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.6 m -137.26 148.33 46.36 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 127.968 2.507 . . . . 0.0 111.26 -161.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -87.09 150.33 24.07 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.812 1.245 . . . . 0.0 111.544 176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.84 137.08 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.635 0 C-N-CA 125.827 1.651 . . . . 0.0 110.661 173.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -128.34 112.98 15.03 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.574 1.15 . . . . 0.0 111.716 167.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -79.94 85.86 5.51 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.901 1.28 . . . . 0.0 111.536 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.476 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . 0.9 OUTLIER -80.86 41.97 0.6 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.112 1.365 . . . . 0.0 110.986 177.634 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 40.7 tp60 -68.71 92.12 0.46 Allowed 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.994 -1.066 . . . . 0.0 108.939 170.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.35 -117.24 0.73 Allowed Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.059 1.314 . . . . 0.0 110.974 171.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.38 -72.11 2.89 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 129.415 3.388 . . . . 0.0 110.664 9.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.584 ' ND2' HH22 ' A' ' 86' ' ' ARG . 0.4 OUTLIER 47.55 39.71 10.16 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 128.004 2.522 . . . . 0.0 114.205 173.245 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -152.3 -33.73 0.13 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.71 2.004 . . . . 0.0 112.673 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.3 pm0 -55.53 -26.48 43.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.341 2.657 . . . . 0.0 114.136 -173.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.06 -15.21 12.55 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 127.106 2.162 . . . . 0.0 113.166 173.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -51.62 -32.62 32.29 Favored Glycine 0 CA--C 1.528 0.883 0 C-N-CA 124.961 1.267 . . . . 0.0 112.614 168.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.3 m -56.76 -31.75 64.91 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 126.469 1.908 . . . . 0.0 112.504 173.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.5 ' HA ' ' HB2' ' A' ' 15' ' ' ALA . . . -90.27 -50.74 5.8 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 124.242 1.017 . . . . 0.0 112.751 175.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.5 m -80.42 -29.73 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -170.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 55.65 40.05 77.73 Favored Glycine 0 CA--C 1.537 1.438 0 CA-C-N 119.198 0.908 . . . . 0.0 114.408 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -141.67 171.9 13.43 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 127.843 2.457 . . . . 0.0 108.997 169.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 pp -121.58 11.27 10.55 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 115.46 1.652 . . . . 0.0 115.46 -167.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -54.99 -13.76 1.23 Allowed 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 118.135 2.643 . . . . 0.0 118.135 -170.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.584 HH22 ' ND2' ' A' ' 74' ' ' ASN . 46.1 tpt85 150.1 -39.02 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 1 C-N-CA 133.658 4.783 . . . . 0.0 109.809 -178.545 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.8 t 55.82 54.13 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 124.704 1.202 . . . . 0.0 113.133 173.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 117.98 -179.18 17.1 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 130.204 3.764 . . . . 0.0 113.522 5.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.6 p -93.69 136.2 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 O-C-N 121.872 -0.781 . . . . 0.0 110.737 170.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 41.4 t -130.72 156.8 42.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 127.04 2.136 . . . . 0.0 107.588 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.2 m -147.95 157.33 43.46 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 119.825 -1.797 . . . . 0.0 111.099 165.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.6 mm -122.81 132.24 71.69 Favored 'Isoleucine or valine' 0 C--O 1.243 0.742 0 C-N-CA 126.293 1.837 . . . . 0.0 109.256 -174.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.1 mp -114.51 -65.18 1.22 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.923 2.089 . . . . 0.0 111.78 -170.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -122.06 85.67 2.45 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.84 0.856 . . . . 0.0 109.77 -172.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.45 85.38 2.56 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 122.063 -0.398 . . . . 0.0 110.878 171.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -70.53 36.95 0.46 Allowed Glycine 0 CA--C 1.538 1.531 0 O-C-N 121.576 -0.703 . . . . 0.0 112.154 160.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -160.13 -154.81 0.41 Allowed 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 125.893 1.677 . . . . 0.0 108.666 -155.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -54.64 148.88 11.71 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-O 124.596 2.141 . . . . 0.0 113.918 171.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -53.09 -4.12 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.723 1 C-N-CA 134.026 4.93 . . . . 0.0 117.636 174.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.443 HG22 HG21 ' A' ' 17' ' ' VAL . 8.5 tt -55.66 -32.43 31.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.306 1.412 . . . . 0.0 113.331 -164.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . 0.262 1.1 pt? -66.46 -14.11 61.75 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 14.6 t -107.97 -50.08 3.11 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.281 1.032 . . . . 0.0 112.793 161.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.82 81.56 1.58 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.46 1.104 . . . . 0.0 112.591 -174.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.6 tt -103.45 -55.82 2.33 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.568 1.947 . . . . 0.0 111.511 169.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.245 0 C-N-CA 131.699 3.999 . . . . 0.0 112.74 -7.595 . . . . . . . . 0 0 . 1 stop_ save_