data_1zae_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 1zae _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 120.65 0.262 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 t -61.38 162.37 7.97 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.549 -0.719 . . . . 0.0 110.762 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.81 80.93 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.725 -1.234 . . . . 0.0 113.147 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.5 p -65.95 -49.03 69.33 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.935 -1.103 . . . . 0.0 112.686 171.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -55.62 -55.12 35.83 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.335 -0.853 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.85 -41.41 79.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.888 1.275 . . . . 0.0 111.648 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.81 75.83 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 122.074 0.94 . . . . 0.0 111.572 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.22 -38.93 48.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 O-C-N 120.654 -1.279 . . . . 0.0 111.577 -176.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.37 -41.27 2.8 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.654 1.582 . . . . 0.0 113.175 165.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.96 -54.13 24.94 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.0 mt -48.96 -41.52 34.36 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.713 -0.617 . . . . 0.0 112.513 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -57.28 -65.18 0.67 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.921 1.237 . . . . 0.0 112.93 171.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.28 -41.19 98.98 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.425 0.557 . . . . 0.0 110.05 -171.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -61.03 -37.19 81.73 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.418 -1.426 . . . . 0.0 113.271 168.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.6 m -65.25 -8.47 17.87 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 119.58 -1.95 . . . . 0.0 113.471 168.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 73.66 23.94 2.29 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 129.162 2.985 . . . . 0.0 112.835 -172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mp -93.54 100.75 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.43 131.95 46.18 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.229 171.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.5 mm -92.16 129.7 40.56 Favored Pre-proline 0 CA--C 1.548 0.88 0 O-C-N 121.821 -0.549 . . . . 0.0 111.268 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -58.63 124.23 15.32 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.328 2.019 . . . . 0.0 110.423 165.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.2 p -49.82 -37.79 31.96 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.09 -54.21 3.67 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.509 1.123 . . . . 0.0 113.665 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 pt -73.95 -20.75 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 120.428 -1.42 . . . . 0.0 113.67 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.61 -45.95 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.89 1.223 . . . . 0.0 109.44 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.85 -49.0 59.92 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.986 1.714 . . . . 0.0 111.564 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.41 -61.69 2.41 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.304 1.042 . . . . 0.0 110.733 171.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.17 -50.43 58.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.553 0.741 . . . . 0.0 112.233 -171.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.07 -38.37 29.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.026 1.33 . . . . 0.0 112.689 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -46.06 68.52 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.569 1.148 . . . . 0.0 112.33 173.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -58.64 -41.84 86.93 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.268 0.556 . . . . 0.0 112.032 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 58.18 69.39 0.74 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.468 1.507 . . . . 0.0 114.314 170.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.6 mt -78.54 175.58 10.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.412 1.085 . . . . 0.0 112.447 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -94.1 -49.85 5.57 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.792 1.237 . . . . 0.0 112.058 -173.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.5 t -124.14 152.39 42.86 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -164.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -40.71 -48.35 2.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 129.276 3.03 . . . . 0.0 112.021 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -63.42 -42.84 98.74 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.518 -0.739 . . . . 0.0 112.755 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -64.72 -46.49 82.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.314 -0.866 . . . . 0.0 111.008 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.68 -44.84 93.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 O-C-N 121.909 -0.495 . . . . 0.0 110.277 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.67 -31.6 72.89 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 120.783 -1.198 . . . . 0.0 112.46 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.39 -61.25 2.22 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.69 1.132 . . . . 0.0 110.476 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -50.31 -58.81 4.82 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.842 1.257 . . . . 0.0 111.273 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.5 mt -51.49 -49.09 34.02 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 O-C-N 121.637 -0.664 . . . . 0.0 111.438 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.34 -42.92 99.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 120.635 1.561 . . . . 0.0 113.012 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.1 p -59.61 -51.76 68.45 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.43 -0.794 . . . . 0.0 111.572 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.34 -32.92 73.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 123.16 1.457 . . . . 0.0 112.374 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -70.4 -19.36 63.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.433 -2.042 . . . . 0.0 112.361 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.7 m -90.07 -37.49 14.23 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.094 -1.629 . . . . 0.0 113.077 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -44.86 -54.47 6.38 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.144 0.884 . . . . 0.0 110.149 154.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -50.25 66.14 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -49.45 -48.26 47.66 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.976 -1.078 . . . . 0.0 113.015 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.3 mt -58.62 -55.08 39.67 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.16 0.891 . . . . 0.0 112.603 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -64.02 -17.23 63.14 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.231 -1.543 . . . . 0.0 113.942 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -84.39 -18.17 36.96 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 119.77 -1.831 . . . . 0.0 112.757 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -99.1 -50.06 4.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.095 2.158 . . . . 0.0 112.799 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -49.14 146.91 3.25 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -167.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -42.66 109.71 0.15 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 129.179 2.992 . . . . 0.0 114.85 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 18.5 tp -103.29 118.74 37.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.814 1.188 . . . . 0.0 109.554 142.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.74 28.93 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 CA--C 1.543 0.711 0 C-N-CA 126.746 2.018 . . . . 0.0 114.116 -177.684 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.291 6.8 mp . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 123.608 1.67 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.94 173.47 7.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 128.32 2.648 . . . . 0.0 111.155 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.52 -66.01 0.14 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.0 p -59.5 -58.37 8.89 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -63.01 -33.5 75.56 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.543 -1.348 . . . . 0.0 112.504 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.59 -49.95 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 121.214 -0.929 . . . . 0.0 111.323 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.12 69.64 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 122.324 1.059 . . . . 0.0 111.224 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.75 -37.03 54.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.624 -0.672 . . . . 0.0 112.66 176.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.57 -36.17 77.85 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 167.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.58 -51.14 53.93 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 53.9 mt -47.42 -50.85 21.72 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.0 -1.063 . . . . 0.0 112.27 170.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -47.14 -54.37 10.75 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.826 1.194 . . . . 0.0 112.783 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.251 6.8 mm-40 -83.73 -27.11 29.18 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -171.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -48.27 -46.43 35.82 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.286 -1.509 . . . . 0.0 109.636 154.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.77 -12.51 60.42 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.401 0.1 OUTLIER 63.87 51.41 2.36 Favored 'General case' 0 CA--C 1.546 0.81 1 C-N-CA 132.294 4.237 . . . . 0.0 116.066 -169.717 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.11 105.83 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.168 1.387 . . . . 0.0 111.331 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.49 130.03 40.8 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.076 -1.015 . . . . 0.0 110.372 171.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 31.8 mm -93.94 132.62 29.21 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 120.912 -1.118 . . . . 0.0 111.583 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -62.76 131.11 31.84 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.674 2.249 . . . . 0.0 110.936 166.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 34.6 p -41.0 -48.29 3.18 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.344 1.058 . . . . 0.0 111.686 167.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.07 -48.03 1.61 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 173.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 22.2 mm -51.98 -53.42 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 121.484 -0.76 . . . . 0.0 110.581 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -68.95 -46.04 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.201 1.0 . . . . 0.0 110.555 -172.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.26 -26.97 31.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 128.317 2.647 . . . . 0.0 113.975 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -84.58 -74.92 0.37 Allowed 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.553 1.141 . . . . 0.0 110.336 163.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.74 -55.78 2.33 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 127.484 2.314 . . . . 0.0 113.469 -169.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -17.08 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -172.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -77.46 -52.51 8.98 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.029 -1.044 . . . . 0.0 112.151 168.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -59.88 -28.49 67.59 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.352 1.061 . . . . 0.0 113.282 -168.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER 57.33 107.54 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.727 2.011 . . . . 0.0 115.539 177.228 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 72.6 mt -107.52 171.75 7.21 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.745 -1.222 . . . . 0.0 112.108 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -74.22 -39.37 63.14 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -158.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 9.4 t -171.22 -178.83 2.5 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.9 1.28 . . . . 0.0 109.603 -165.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -65.02 -51.44 61.55 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.216 1.406 . . . . 0.0 112.025 -159.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -58.42 -34.09 70.4 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.029 -1.044 . . . . 0.0 111.922 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -72.87 -40.22 65.8 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.716 1.206 . . . . 0.0 110.79 -173.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.49 -47.01 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.538 166.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.259 1.2 pp -63.69 -34.31 77.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.38 1.445 . . . . 0.0 112.422 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.9 -57.96 9.03 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.92 0.888 . . . . 0.0 110.459 170.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.2 -54.1 50.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.085 0.554 . . . . 0.0 112.311 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 93.5 mt -51.47 -54.14 13.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 123.558 0.743 . . . . 0.0 111.213 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -55.25 -36.66 66.29 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.075 -1.015 . . . . 0.0 112.6 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 39.3 m -63.28 -59.84 4.19 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.577 -0.702 . . . . 0.0 112.415 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.39 -34.76 72.83 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-O 122.644 1.212 . . . . 0.0 112.258 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -63.17 -36.55 84.0 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.309 1.844 . . . . 0.0 111.468 170.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 58.4 m -69.38 -41.85 75.95 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 120.975 -1.078 . . . . 0.0 113.35 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -48.07 -55.9 9.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.563 0.62 . . . . 0.0 110.717 160.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -54.65 -42.04 70.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.281 15.4 pttm -62.11 -51.68 66.94 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.326 1.875 . . . . 0.0 113.605 171.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.69 -31.06 71.85 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.947 1.248 . . . . 0.0 112.412 -175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -62.7 -53.97 46.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.321 1.448 . . . . 0.0 111.488 168.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.2 -3.85 22.42 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 120.249 -1.532 . . . . 0.0 114.732 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.31 -40.01 58.92 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.312 2.245 . . . . 0.0 113.039 162.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -56.35 152.62 10.95 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -168.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 103.69 14.04 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 -172.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 15.5 tp -87.25 112.9 22.49 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.288 -1.508 . . . . 0.0 108.829 154.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -70.67 29.85 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.99 1.716 . . . . 0.0 114.843 -175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 125.814 1.646 . . . . 0.0 114.33 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 CA--C 1.539 0.555 0 CA-C-O 123.156 1.455 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -71.84 167.93 18.96 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.887 1.275 . . . . 0.0 112.177 166.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.59 -49.25 14.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.808 1.243 . . . . 0.0 113.671 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.41 -66.2 0.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -61.28 -31.24 71.07 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 120.278 -1.514 . . . . 0.0 112.287 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.98 -48.63 87.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 119.054 0.843 . . . . 0.0 111.037 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.45 79.86 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 122.074 0.94 . . . . 0.0 111.768 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 t -73.26 -34.92 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 O-C-N 120.721 -1.237 . . . . 0.0 112.16 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.31 -36.8 81.09 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.938 1.695 . . . . 0.0 113.706 172.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.15 -56.58 17.4 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.78 -33.39 70.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -56.29 -53.64 54.9 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 120.957 -1.089 . . . . 0.0 111.249 170.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -72.44 -27.84 62.57 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.905 1.229 . . . . 0.0 112.94 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -56.65 -38.35 72.03 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.08 -1.638 . . . . 0.0 111.915 161.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.0 p -81.23 5.43 17.08 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.956 -1.09 . . . . 0.0 113.868 170.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 47.38 54.25 9.82 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.788 2.035 . . . . 0.0 112.498 -171.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.8 mt -113.15 109.0 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 125.986 1.714 . . . . 0.0 111.949 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -68.45 125.77 27.51 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.092 -1.005 . . . . 0.0 108.522 161.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.6 mm -84.68 127.16 66.49 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 120.811 -1.181 . . . . 0.0 109.111 166.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -52.28 134.05 49.74 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 121.206 1.271 . . . . 0.0 111.314 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.5 m -44.69 -44.36 9.06 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 124.871 1.268 . . . . 0.0 110.219 165.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.26 12.24 0.09 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.33 1.852 . . . . 0.0 115.463 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.9 mm -101.52 -54.27 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.214 -1.553 . . . . 0.0 108.432 157.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.29 -40.74 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 125.443 1.497 . . . . 0.0 110.518 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -30.07 -68.58 0.07 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.006 2.123 . . . . 0.0 112.845 164.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.76 -51.21 17.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.735 1.214 . . . . 0.0 112.134 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.37 -49.78 12.77 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.91 1.284 . . . . 0.0 112.641 -170.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.7 t -53.52 -39.41 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.978 0.911 . . . . 0.0 113.21 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -77.8 -48.81 15.65 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.537 1.135 . . . . 0.0 112.488 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -56.52 -31.81 64.48 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.506 0.669 . . . . 0.0 111.284 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? 60.58 52.01 4.78 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.741 1.216 . . . . 0.0 112.465 157.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.48 165.92 17.97 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.387 -0.821 . . . . 0.0 111.018 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -101.55 -47.51 4.63 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -162.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.1 p -108.96 164.6 12.26 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.659 1.183 . . . . 0.0 113.273 -175.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -49.44 -41.14 39.18 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 170.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -61.03 -43.29 99.1 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 121.402 -0.811 . . . . 0.0 112.41 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -68.22 -51.95 39.68 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.751 0.31 . . . . 0.0 110.93 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.1 m -64.9 -39.51 85.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.284 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.18 -44.39 92.18 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 120.196 1.362 . . . . 0.0 111.731 177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -71.57 -43.53 66.17 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 118.04 -1.464 . . . . 0.0 111.923 -176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -61.34 -51.12 70.16 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.832 -0.543 . . . . 0.0 111.517 174.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 80.2 mt -53.82 -54.39 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 O-C-N 121.255 -0.903 . . . . 0.0 112.003 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' B' ' 123' ' ' LYS . 38.1 mt-10 -59.5 -38.67 81.51 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.165 -1.585 . . . . 0.0 112.687 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.5 m -58.03 -58.03 10.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.287 -0.883 . . . . 0.0 112.148 171.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -54.98 -39.57 69.13 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.167 -0.958 . . . . 0.0 112.185 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -61.95 -27.83 69.11 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 119.984 -1.697 . . . . 0.0 111.499 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.265 89.0 m -78.57 -34.96 46.56 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 167.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -59.36 3.95 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.318 1.417 . . . . 0.0 110.041 159.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -52.69 -47.45 67.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -45.06 -48.56 11.8 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.74 -1.225 . . . . 0.0 112.808 169.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.95 -42.85 84.51 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.206 -0.934 . . . . 0.0 112.874 174.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.48 -15.26 62.47 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.042 -1.662 . . . . 0.0 113.489 171.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -84.93 -2.94 58.47 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 119.516 -1.99 . . . . 0.0 113.198 167.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -116.94 -45.53 2.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.482 1.913 . . . . 0.0 112.301 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -52.11 148.86 5.75 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -42.44 100.1 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.198 2.999 . . . . 0.0 114.908 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' B' ' 79' ' ' TYR . 4.4 tt -80.56 116.68 20.72 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.813 1.642 . . . . 0.0 107.182 141.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.2 36.54 0.07 Allowed 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 127.011 2.125 . . . . 0.0 113.649 -168.024 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . 0.472 ' H ' ' CG2' ' B' ' 95' ' ' VAL . 2.8 mp . . . . . 0 CA--C 1.544 0.742 0 CA-C-O 123.194 1.473 . . . . 0.0 111.547 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -78.44 -176.53 4.81 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.409 1.1 . . . . 0.0 112.455 169.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.11 -58.39 7.19 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.839 1.256 . . . . 0.0 114.384 -168.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.8 p -62.5 -50.04 72.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -63.91 -41.56 97.64 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.115 -0.991 . . . . 0.0 111.77 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.4 -45.31 99.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 O-C-N 121.051 -1.031 . . . . 0.0 111.509 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.67 89.5 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 122.174 0.988 . . . . 0.0 110.947 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.05 -35.96 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 O-C-N 121.404 -0.81 . . . . 0.0 111.851 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -48.12 77.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.515 1.126 . . . . 0.0 112.094 172.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.11 -48.32 82.02 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.705 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.88 -29.48 68.35 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.18 -0.95 . . . . 0.0 112.818 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' A' ' 124' ' ' LEU . 58.6 m-85 -58.32 -56.5 21.29 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 120.779 1.627 . . . . 0.0 112.277 165.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -73.58 -39.51 64.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.695 1.134 . . . . 0.0 113.235 -173.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -57.89 -24.11 56.2 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.089 -1.632 . . . . 0.0 112.529 164.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.4 m -82.24 -15.77 51.9 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.088 -1.633 . . . . 0.0 115.401 166.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 80.53 44.53 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 130.49 3.516 . . . . 0.0 113.363 -173.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.76 125.76 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 126.324 1.849 . . . . 0.0 108.603 173.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.49 155.16 23.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.917 1.235 . . . . 0.0 109.78 161.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 8.6 mm -105.7 130.26 23.33 Favored Pre-proline 0 N--CA 1.469 0.513 0 O-C-N 120.72 -1.238 . . . . 0.0 110.344 170.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -56.44 126.99 24.13 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.799 1.666 . . . . 0.0 111.061 171.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 87.6 p -49.66 -35.87 22.86 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.248 0.619 . . . . 0.0 111.189 171.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -52.51 -18.8 1.86 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 pt -106.01 -24.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.367 -1.458 . . . . 0.0 112.442 173.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.4 mt -63.24 -38.21 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 O-C-N 121.049 -1.032 . . . . 0.0 110.268 164.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -35.82 -52.12 0.71 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.398 2.679 . . . . 0.0 112.649 170.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.75 -65.19 1.02 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.874 2.07 . . . . 0.0 111.146 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.02 -43.93 63.92 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.619 1.168 . . . . 0.0 113.48 -166.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . 0.472 ' CG2' ' H ' ' B' ' 68' ' ' LEU . 0.5 OUTLIER -65.73 -12.61 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -177.38 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.73 -46.99 10.19 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.207 -0.933 . . . . 0.0 110.982 162.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -49.14 -46.27 44.93 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.147 0.979 . . . . 0.0 112.448 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 50.92 76.19 0.16 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.388 1.075 . . . . 0.0 112.608 169.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.82 164.21 22.87 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.246 1.018 . . . . 0.0 110.197 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -75.21 -62.38 1.58 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.845 -1.159 . . . . 0.0 110.707 -172.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 48.0 t -92.92 151.56 19.87 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -34.87 -46.26 0.3 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.001 2.52 . . . . 0.0 111.51 156.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -60.7 -48.89 79.75 Favored 'General case' 0 C--O 1.223 -0.312 0 O-C-N 121.316 -0.865 . . . . 0.0 111.467 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.37 -48.06 79.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.204 -0.935 . . . . 0.0 111.139 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 25.9 m -66.46 -38.84 82.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.823 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.82 -39.27 87.64 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.903 1.683 . . . . 0.0 111.534 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.0 -54.63 44.71 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.3 0.954 . . . . 0.0 110.349 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.14 -55.45 33.72 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.262 1.025 . . . . 0.0 112.059 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.2 mt -54.31 -47.61 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.779 0.832 . . . . 0.0 111.744 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.81 -36.83 75.12 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 120.311 -1.493 . . . . 0.0 112.117 174.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 39.5 m -63.83 -55.27 24.14 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.007 -1.058 . . . . 0.0 112.606 172.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -51.87 -45.24 64.03 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 123.31 1.529 . . . . 0.0 112.124 171.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -62.26 -21.34 65.12 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 119.627 -1.921 . . . . 0.0 111.659 173.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.272 63.4 m -80.8 -38.46 28.41 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 119.343 -2.098 . . . . 0.0 114.101 165.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.9 -57.44 4.35 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.784 1.174 . . . . 0.0 110.556 158.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -57.53 -39.12 75.89 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -55.68 -50.21 70.87 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.44 -1.412 . . . . 0.0 112.595 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.68 -49.64 75.69 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.251 0.932 . . . . 0.0 111.503 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -51.83 -55.59 19.07 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.777 -1.202 . . . . 0.0 112.155 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -70.49 -4.22 21.75 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.69 -1.256 . . . . 0.0 113.782 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -84.78 -26.49 27.51 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.725 1.61 . . . . 0.0 112.887 163.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.74 140.47 58.74 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.343 1.429 . . . . 0.0 111.32 168.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 110' ' ' GLU . 8.7 tmtm? -116.56 128.7 55.66 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.08 1.752 . . . . 0.0 111.235 -175.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 21.9 tp -77.29 93.01 3.94 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.716 -1.24 . . . . 0.0 110.563 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -67.64 -10.65 54.06 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.568 -1.333 . . . . 0.0 113.948 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 . . . . . 0 CA--C 1.534 0.334 0 C-N-CA 126.669 1.988 . . . . 0.0 115.796 172.496 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 122.856 1.312 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -74.6 168.69 19.29 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.801 1.24 . . . . 0.0 111.56 165.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.46 -54.66 3.77 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.0 p -59.92 -57.45 12.82 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.2 pm0 -63.11 -32.62 74.04 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.523 -1.361 . . . . 0.0 112.324 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.39 -48.6 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 120.853 -1.154 . . . . 0.0 111.747 172.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.87 -37.64 66.51 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 122.245 1.022 . . . . 0.0 111.28 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.26 57.4 t -80.33 -37.21 16.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.75 -45.77 14.72 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.773 -1.205 . . . . 0.0 113.59 161.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -70.41 -45.69 65.42 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.767 -0.583 . . . . 0.0 110.135 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.5 mt -47.78 -38.1 14.96 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.087 -1.633 . . . . 0.0 112.692 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.404 ' CE1' HD13 ' B' ' 124' ' ' LEU . 37.1 m-85 -59.01 -59.64 5.14 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.676 -1.265 . . . . 0.0 113.657 168.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -84.63 -26.33 27.93 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -168.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -44.15 -49.19 9.12 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 123.014 1.388 . . . . 0.0 109.85 152.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 t -82.63 -0.68 48.23 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.16 38.25 1.96 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.359 2.664 . . . . 0.0 112.455 173.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.4 mt -103.06 113.19 39.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 125.953 1.701 . . . . 0.0 112.588 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -67.14 132.21 47.37 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.146 -0.971 . . . . 0.0 110.154 162.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mm -95.11 123.51 56.96 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 123.909 0.884 . . . . 0.0 109.723 167.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -67.94 104.39 1.0 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 N-CA-C 108.36 -1.439 . . . . 0.0 108.36 168.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -42.99 -22.65 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.148 2.579 . . . . 0.0 117.107 -168.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -43.86 -50.59 7.9 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.53 1.059 . . . . 0.0 112.403 165.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 mm -38.02 -54.71 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.035 1.334 . . . . 0.0 111.674 166.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.4 mt -73.04 -45.7 53.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 124.384 1.074 . . . . 0.0 110.085 -171.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -48.51 -57.49 6.07 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.036 0.935 . . . . 0.0 111.319 173.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -59.25 -56.54 20.86 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.868 0.842 . . . . 0.0 110.686 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.69 -47.56 76.56 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.146 -0.972 . . . . 0.0 112.263 -175.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.51 -48.35 58.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.439 1.096 . . . . 0.0 112.031 169.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -56.59 -37.38 70.55 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.001 0.819 . . . . 0.0 113.025 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -79.11 -63.96 1.29 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.3 113.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.789 2.436 . . . . 0.0 114.322 -166.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -92.86 179.23 5.52 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.113 0.965 . . . . 0.0 109.378 158.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -81.72 -46.97 13.52 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.22 -0.925 . . . . 0.0 112.636 -167.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 t -129.5 160.19 33.96 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -170.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -36.39 -51.51 0.81 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.781 2.433 . . . . 0.0 113.338 171.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.95 -39.86 87.0 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.022 -1.048 . . . . 0.0 112.418 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.89 -47.61 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.89 -0.506 . . . . 0.0 110.503 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.1 m -65.72 -36.15 76.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.073 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.1 pp -63.78 -39.99 95.59 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.389 1.449 . . . . 0.0 111.059 173.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -57.81 -54.57 45.36 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.188 0.903 . . . . 0.0 111.647 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -56.22 -58.71 6.8 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.304 1.041 . . . . 0.0 112.02 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -50.82 -52.11 18.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 123.843 0.857 . . . . 0.0 110.737 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.71 -40.28 75.37 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 120.672 -1.267 . . . . 0.0 112.46 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 35.1 m -60.58 -55.13 37.07 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.218 -0.926 . . . . 0.0 112.225 171.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.17 -32.89 73.57 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.127 1.371 . . . . 0.0 112.313 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -67.24 -24.42 65.81 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.046 2.538 . . . . 0.0 111.061 169.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.259 88.1 m -83.47 -38.09 22.3 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 119.253 -2.154 . . . . 0.0 113.741 169.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -48.8 -57.08 6.93 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.36 0.982 . . . . 0.0 111.016 160.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -54.66 -41.22 69.88 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -53.65 -47.09 70.67 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.783 -1.823 . . . . 0.0 113.066 167.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -49.03 79.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.126 0.57 . . . . 0.0 110.799 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -54.1 -41.66 68.55 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 120.356 -1.465 . . . . 0.0 112.719 171.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -72.55 -11.77 60.79 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.618 -1.301 . . . . 0.0 113.179 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -48.18 6.51 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.112 1.765 . . . . 0.0 112.286 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -31.56 130.98 0.12 Allowed 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -173.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -46.66 132.68 10.92 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.119 1.768 . . . . 0.0 114.904 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.83 123.13 39.29 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.266 1.426 . . . . 0.0 108.907 158.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -74.49 25.6 0.08 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 126.473 1.909 . . . . 0.0 114.582 -179.532 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 122.053 0.93 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.1 t -103.95 -175.96 2.95 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.259 -0.901 . . . . 0.0 112.124 167.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.74 -67.89 0.19 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -163.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 85.8 m -61.22 -52.24 65.62 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.378 -0.827 . . . . 0.0 112.579 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -61.88 -38.8 89.68 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.667 -1.27 . . . . 0.0 112.426 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.0 -47.19 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 O-C-N 120.951 -1.093 . . . . 0.0 111.308 169.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.3 64.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.199 1.0 . . . . 0.0 111.666 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.43 -39.37 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 O-C-N 121.44 -0.787 . . . . 0.0 112.777 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -51.95 -41.1 61.8 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 164.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.08 -48.26 66.03 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 23.0 mt -47.18 -40.33 15.72 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 119.895 -1.753 . . . . 0.0 112.953 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -57.28 -62.11 2.0 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.514 -1.366 . . . . 0.0 113.485 169.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -82.07 -29.02 32.07 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.027 1.285 . . . . 0.0 114.176 -168.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -42.85 -55.25 3.77 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 122.926 1.346 . . . . 0.0 109.754 156.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 13.8 t -64.15 -47.7 78.88 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.773 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 124.14 34.87 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 131.643 3.977 . . . . 0.0 113.791 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 94.6 mt -105.49 115.7 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.817 1.647 . . . . 0.0 113.87 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -75.9 133.71 40.46 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.23 -0.919 . . . . 0.0 111.254 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 7.8 mm -103.61 134.52 19.7 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.283 1.433 . . . . 0.0 111.266 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -78.66 98.32 1.19 Allowed 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.274 1.982 . . . . 0.0 110.045 170.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -26.94 -41.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 128.867 2.867 . . . . 0.0 118.093 -174.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -32.18 -55.14 0.32 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.31 1.444 . . . . 0.0 113.851 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 25.2 pt -64.7 -36.01 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 120.988 -1.07 . . . . 0.0 113.152 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 47.4 mt -60.65 -47.22 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 O-C-N 121.288 -0.883 . . . . 0.0 110.238 172.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -57.58 -60.59 3.44 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.947 0.404 . . . . 0.0 111.031 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.15 -44.42 83.4 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.812 -1.18 . . . . 0.0 110.704 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.98 -43.79 73.84 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.132 -0.98 . . . . 0.0 112.199 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.2 t -57.24 -47.75 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 O-C-N 120.746 -1.221 . . . . 0.0 113.121 167.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -55.31 -48.69 73.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.263 0.938 . . . . 0.0 112.954 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -68.59 -56.83 6.95 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 120.302 -1.499 . . . . 0.0 111.608 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 69.13 72.63 0.26 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.84 2.856 . . . . 0.0 115.058 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.98 156.7 30.42 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.4 -0.813 . . . . 0.0 111.059 163.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -87.18 -65.89 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 120.971 -1.081 . . . . 0.0 111.925 -158.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 14.9 t -88.25 156.93 18.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.111 0.958 . . . . 0.0 113.492 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -42.82 -46.95 5.42 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.459 1.904 . . . . 0.0 111.694 173.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -61.06 -44.07 97.93 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.329 -0.857 . . . . 0.0 111.868 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -64.8 -49.47 70.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.463 -0.773 . . . . 0.0 110.947 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.0 m -65.66 -40.08 86.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.384 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.291 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.269 1.3 pp -64.34 -39.98 94.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.105 1.32 . . . . 0.0 111.638 174.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.39 -53.77 53.49 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.721 1.146 . . . . 0.0 110.831 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -59.04 -59.68 5.08 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.835 1.254 . . . . 0.0 112.431 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.4 -51.15 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.026 0.93 . . . . 0.0 110.695 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.51 -40.11 74.47 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.586 -1.321 . . . . 0.0 112.765 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.8 m -61.14 -55.45 32.25 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.447 -0.783 . . . . 0.0 111.941 171.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.33 -44.76 95.19 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.727 -1.233 . . . . 0.0 113.033 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -48.85 -35.95 15.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.397 1.879 . . . . 0.0 111.645 166.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.261 95.8 m -75.46 -35.55 60.85 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.23 -1.544 . . . . 0.0 114.28 171.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -50.27 -60.65 2.77 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.593 1.088 . . . . 0.0 111.02 159.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -52.42 -42.03 63.74 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.627 1.103 . . . . 0.0 112.979 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -52.47 -51.29 60.08 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.211 -0.931 . . . . 0.0 112.045 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.36 -39.1 74.84 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.401 ' CD ' ' HZ2' ' B' ' 122' ' ' LYS . 12.3 tp10 -52.02 -45.56 64.63 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.691 1.596 . . . . 0.0 111.175 170.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -73.3 -5.25 38.33 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.513 -1.367 . . . . 0.0 113.545 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -101.93 -32.99 9.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.749 2.02 . . . . 0.0 112.274 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . 0.401 ' HZ2' ' CD ' ' B' ' 119' ' ' GLU . 86.3 mttt -38.23 132.63 1.03 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.233 1.413 . . . . 0.0 113.954 177.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.21 130.37 10.36 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.782 2.033 . . . . 0.0 114.413 173.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.404 HD13 ' CE1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -121.8 119.19 30.96 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.126 0.97 . . . . 0.0 108.392 155.737 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -69.94 24.94 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 126.655 1.982 . . . . 0.0 113.209 -172.532 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 CA--C 1.542 0.672 0 CA-C-O 121.716 0.77 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -86.13 168.65 13.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.401 1.48 . . . . 0.0 111.435 171.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.51 -54.88 1.47 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 99.2 m -59.09 -65.85 0.6 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.715 1.206 . . . . 0.0 113.541 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 pm0 -56.88 -36.59 70.28 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.158 -1.588 . . . . 0.0 112.318 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.2 t -61.33 -42.94 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 O-C-N 121.589 -0.694 . . . . 0.0 111.577 171.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.94 -44.8 94.16 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.182 0.993 . . . . 0.0 111.04 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.1 t -70.19 -35.38 62.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.58 -1.325 . . . . 0.0 111.312 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 mt -56.45 -36.07 68.6 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 167.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -50.53 68.6 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.578 -0.701 . . . . 0.0 109.609 172.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.2 mt -53.71 -43.37 68.96 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.558 -1.339 . . . . 0.0 111.776 174.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.423 ' HA ' ' CD2' ' B' ' 124' ' ' LEU . 22.1 m-85 -54.68 -60.96 2.65 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.926 0.89 . . . . 0.0 112.154 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -75.82 -33.88 60.11 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.032 0.833 . . . . 0.0 112.602 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -50.89 -48.56 60.34 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.357 -1.464 . . . . 0.0 110.974 162.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.7 m -71.15 -11.35 60.89 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 69.8 42.36 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.311 2.645 . . . . 0.0 111.824 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.38 109.27 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 127.059 2.144 . . . . 0.0 107.822 174.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -66.98 155.1 39.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 118.16 -1.416 . . . . 0.0 111.672 162.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.7 mm -110.46 131.88 21.83 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.511 1.524 . . . . 0.0 108.698 167.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.58 133.02 53.91 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 122.728 2.285 . . . . 0.0 111.802 168.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 p -47.74 -43.76 27.39 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.304 1.041 . . . . 0.0 113.366 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -40.03 -61.92 0.8 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.607 1.163 . . . . 0.0 114.124 172.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.256 8.1 pt -67.13 -28.58 43.17 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 120.328 -1.482 . . . . 0.0 113.425 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.66 -47.79 87.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 119.972 1.26 . . . . 0.0 110.012 168.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -58.26 -57.81 11.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.277 0.631 . . . . 0.0 111.176 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -52.35 -53.26 46.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.794 0.838 . . . . 0.0 110.743 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -51.23 -60.53 3.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.088 0.955 . . . . 0.0 111.474 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 71.1 t -52.85 -39.79 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.179 0.592 . . . . 0.0 111.465 174.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -41.82 97.05 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -63.06 -39.2 94.01 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.296 0.953 . . . . 0.0 110.509 167.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.16 53.73 1.3 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.034 1.334 . . . . 0.0 111.561 173.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.93 167.84 1.47 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.15 0.98 . . . . 0.0 112.79 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -87.2 -55.91 3.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.369 1.068 . . . . 0.0 110.896 -171.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -106.43 146.05 31.0 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -161.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.99 -46.09 2.02 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.695 1.998 . . . . 0.0 111.733 163.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -64.92 -42.53 94.62 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.809 -1.182 . . . . 0.0 112.877 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -65.55 -44.09 87.86 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.126 0.57 . . . . 0.0 111.042 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.6 m -69.63 -39.73 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 O-C-N 121.667 -0.646 . . . . 0.0 110.071 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 1.0 OUTLIER -62.85 -38.18 89.8 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 117.777 -1.569 . . . . 0.0 112.259 171.177 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -57.77 -59.5 5.12 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.767 -1.208 . . . . 0.0 111.515 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -61.07 -52.64 64.08 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.828 0.851 . . . . 0.0 111.713 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.6 mt -52.07 -53.38 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 121.432 -0.792 . . . . 0.0 110.715 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -55.32 -41.12 71.99 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.86 -1.15 . . . . 0.0 112.278 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 43.0 m -58.27 -58.03 10.29 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.671 -0.643 . . . . 0.0 112.036 173.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -64.8 -37.97 89.4 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.917 -1.115 . . . . 0.0 112.228 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -53.76 -28.03 32.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.08 1.752 . . . . 0.0 111.951 166.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.278 90.4 m -80.78 -40.22 25.46 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 118.89 -2.381 . . . . 0.0 114.532 170.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -55.36 9.62 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.593 1.088 . . . . 0.0 111.591 161.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -54.79 -40.94 69.96 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -51.94 -52.54 49.53 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.291 -1.506 . . . . 0.0 112.912 167.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.73 -47.15 74.14 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.204 0.911 . . . . 0.0 112.557 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.455 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 78.3 mm-40 -54.54 -44.77 73.14 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 120.782 -1.199 . . . . 0.0 112.517 172.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.95 -19.19 61.93 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 120.255 -1.528 . . . . 0.0 113.024 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -82.04 -48.04 11.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.284 1.834 . . . . 0.0 113.135 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.455 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 49.1 mtmt -42.77 145.45 0.46 Allowed 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -172.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.79 143.88 57.08 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.409 1.483 . . . . 0.0 114.938 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -130.85 109.28 10.45 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.292 1.437 . . . . 0.0 109.35 172.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -73.06 -7.5 51.55 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -171.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? . . . . . 0 CA--C 1.534 0.345 0 C-N-CA 126.142 1.777 . . . . 0.0 114.656 176.153 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -79.8 -171.39 2.84 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.993 1.317 . . . . 0.0 112.559 160.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.4 -67.39 0.31 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -167.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 30.3 p -59.57 -44.73 93.21 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.463 -0.773 . . . . 0.0 112.422 -174.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -65.52 -41.27 93.3 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.804 -1.185 . . . . 0.0 111.935 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.41 -48.57 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 120.583 -1.323 . . . . 0.0 111.064 174.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.96 -47.65 80.24 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 122.091 0.948 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.08 -38.01 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 O-C-N 121.472 -0.767 . . . . 0.0 111.938 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -42.05 80.2 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.703 1.201 . . . . 0.0 112.862 171.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.17 -39.69 95.39 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.433 -0.792 . . . . 0.0 110.144 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 50.2 mt -53.94 -45.77 71.34 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 120.551 -1.343 . . . . 0.0 110.535 171.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.436 ' HA ' ' CD2' ' A' ' 124' ' ' LEU . 39.4 m-85 -57.96 -54.37 47.71 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.581 -0.699 . . . . 0.0 112.214 174.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -81.53 -35.34 30.44 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -164.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -56.96 -34.07 67.68 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.451 -2.031 . . . . 0.0 111.679 161.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -78.97 -3.47 45.16 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.48 -1.387 . . . . 0.0 113.103 171.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 40.6 74.52 0.1 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.862 2.865 . . . . 0.0 114.728 -160.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.6 mt -122.14 118.37 55.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 126.293 1.837 . . . . 0.0 110.976 164.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -70.18 143.29 52.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 118.684 -1.206 . . . . 0.0 111.06 162.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 25.7 mm -99.95 129.6 28.12 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 125.065 1.346 . . . . 0.0 108.83 164.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.05 119.88 4.34 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.026 2.484 . . . . 0.0 112.419 172.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -28.3 -62.22 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.512 2.325 . . . . 0.0 113.549 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.46 -49.73 5.27 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.543 1.537 . . . . 0.0 114.18 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . 0.271 14.8 pt -73.73 -28.94 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 O-C-N 120.256 -1.527 . . . . 0.0 112.742 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 14.4 mt -59.12 -49.33 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 120.202 1.365 . . . . 0.0 109.868 165.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -51.34 -63.06 1.25 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.604 1.561 . . . . 0.0 110.384 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.53 -43.53 97.05 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 120.962 -1.087 . . . . 0.0 112.001 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -46.37 83.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.103 -0.998 . . . . 0.0 111.97 176.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 25.2 t -58.5 -23.93 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 125.271 1.429 . . . . 0.0 114.297 167.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.09 -55.23 6.35 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 119.932 -1.73 . . . . 0.0 110.689 166.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.15 -59.98 4.55 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -176.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 14.1 mtm105 48.5 74.25 0.18 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.012 1.325 . . . . 0.0 112.563 -167.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.01 148.58 43.51 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.139 168.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . 0.261 5.4 pp0? -72.31 -44.97 61.93 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 120.878 -1.139 . . . . 0.0 113.231 -163.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 27.6 t -95.68 150.09 20.75 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -40.24 -42.96 1.6 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.636 1.975 . . . . 0.0 110.747 160.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -62.53 -41.52 98.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.267 -0.896 . . . . 0.0 112.4 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -71.99 -49.49 36.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.846 -0.534 . . . . 0.0 110.761 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 25.7 m -63.78 -38.16 81.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.288 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.7 pp -65.39 -39.35 92.12 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.213 -1.555 . . . . 0.0 111.564 174.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -55.43 -57.52 11.54 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 120.227 1.376 . . . . 0.0 111.661 172.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -51.52 -60.0 3.63 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.435 0.636 . . . . 0.0 111.493 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.0 mt -57.26 -50.56 76.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 O-C-N 121.286 -0.883 . . . . 0.0 111.378 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.9 -42.64 97.4 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.823 -1.173 . . . . 0.0 112.081 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 64.0 p -61.09 -50.33 73.71 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.368 -0.832 . . . . 0.0 111.775 170.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -64.52 -38.31 90.57 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.069 0.938 . . . . 0.0 112.751 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -56.17 -37.89 70.18 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.909 1.683 . . . . 0.0 111.085 168.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 87.2 m -73.92 -38.14 64.39 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.234 -0.916 . . . . 0.0 113.403 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.05 -61.13 2.33 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.205 0.912 . . . . 0.0 110.405 162.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -50.51 -44.69 56.25 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 177.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -51.07 -52.27 45.01 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.243 -0.911 . . . . 0.0 112.262 174.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.75 -38.36 83.37 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.47 -42.67 83.02 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 120.339 -1.475 . . . . 0.0 111.96 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -72.11 -4.42 28.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.663 -1.273 . . . . 0.0 113.154 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -108.12 -39.58 5.46 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.401 2.28 . . . . 0.0 112.357 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -47.87 147.18 2.08 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.326 1.85 . . . . 0.0 114.9 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.13 102.72 0.05 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.781 2.032 . . . . 0.0 116.197 -170.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -100.72 109.66 21.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.939 0.791 . . . . 0.0 109.462 162.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -7.83 52.19 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -173.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 126.95 2.1 . . . . 0.0 114.686 176.225 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 121.503 0.668 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t -110.39 -178.29 3.46 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.323 2.249 . . . . 0.0 111.783 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -34.17 -68.5 0.11 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.456 1.902 . . . . 0.0 115.108 -169.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.7 p -58.3 -61.99 2.16 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pm0 -58.9 -39.85 82.71 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 120.319 -1.488 . . . . 0.0 112.255 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.9 -42.88 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.569 -0.707 . . . . 0.0 111.526 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.72 -50.49 66.73 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 122.354 1.073 . . . . 0.0 111.278 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.6 t -68.55 -27.87 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 120.349 -1.469 . . . . 0.0 111.177 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.17 -31.32 61.28 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 165.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.58 -52.38 26.65 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 170.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.98 -33.88 62.85 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.189 -0.944 . . . . 0.0 112.293 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.421 ' CE1' HD12 ' B' ' 124' ' ' LEU . 29.3 m-85 -61.22 -61.76 2.32 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.323 1.449 . . . . 0.0 112.848 168.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.74 -35.64 67.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.856 1.207 . . . . 0.0 112.675 -172.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -61.08 -20.91 63.14 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.314 -1.491 . . . . 0.0 112.848 163.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.1 -9.28 58.73 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 119.832 -1.792 . . . . 0.0 114.688 165.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 62.68 43.32 7.49 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.344 2.657 . . . . 0.0 112.541 -165.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.2 mt -104.48 95.27 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 124.528 1.131 . . . . 0.0 109.877 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.75 74.31 5.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.958 -177.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.0 mm -42.37 131.15 2.79 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 125.44 1.496 . . . . 0.0 113.508 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.14 146.9 32.69 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.494 2.129 . . . . 0.0 110.636 170.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -45.06 -42.99 9.1 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.64 1.576 . . . . 0.0 111.883 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' B' ' 88' ' ' SER . 1.2 m-20 -70.19 -4.44 21.62 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.585 1.554 . . . . 0.0 114.397 -174.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.1 mm -79.98 -56.47 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 120.623 -1.298 . . . . 0.0 109.314 156.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.2 mt -57.89 -45.2 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.592 1.157 . . . . 0.0 110.518 -169.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -37.71 -79.01 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.544 2.338 . . . . 0.0 112.887 164.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.29 -36.81 83.25 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.3 1.04 . . . . 0.0 111.499 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -66.26 0.47 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.185 0.594 . . . . 0.0 112.078 172.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.57 -38.16 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 O-C-N 121.553 -0.717 . . . . 0.0 112.759 -175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -45.63 -38.79 7.0 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 171.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -74.77 -20.56 59.75 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.084 -1.01 . . . . 0.0 113.663 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 52.44 56.08 8.2 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.695 1.598 . . . . 0.0 113.976 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.1 mt -64.71 168.08 6.57 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.321 -0.862 . . . . 0.0 112.301 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -110.31 -55.58 2.44 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -166.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.2 p -103.31 164.81 11.41 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 123.562 1.648 . . . . 0.0 115.095 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -57.4 -37.33 72.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.889 1.676 . . . . 0.0 111.656 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -60.42 -46.15 91.04 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.261 -0.9 . . . . 0.0 111.761 173.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.8 -47.27 81.52 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.392 -0.818 . . . . 0.0 111.0 -177.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -65.27 -41.17 90.82 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.29 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 1.2 pp -65.64 -38.54 89.65 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.124 1.329 . . . . 0.0 111.999 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -60.16 -57.37 13.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.679 0.752 . . . . 0.0 110.45 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -58.68 -52.03 67.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.592 1.157 . . . . 0.0 111.772 -177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.07 -53.61 32.57 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 O-C-N 121.684 -0.635 . . . . 0.0 111.209 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.6 -40.44 83.24 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.689 -1.257 . . . . 0.0 112.226 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.1 m -57.9 -58.69 7.28 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.43 0.692 . . . . 0.0 112.312 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.95 -25.25 67.79 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 120.861 -1.149 . . . . 0.0 113.117 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -74.31 -16.5 60.93 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.517 1.927 . . . . 0.0 111.351 169.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.308 87.2 m -86.36 -36.51 19.18 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.04 -1.662 . . . . 0.0 114.081 164.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -61.28 2.39 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.756 1.162 . . . . 0.0 110.85 160.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -53.37 -46.8 69.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -45.38 -50.42 12.31 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.691 -1.256 . . . . 0.0 113.287 167.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.79 -46.4 89.69 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.159 0.891 . . . . 0.0 112.599 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -65.76 -13.41 59.33 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.081 -1.637 . . . . 0.0 113.867 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -88.12 -4.0 58.81 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 119.571 -1.956 . . . . 0.0 113.121 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -120.77 -43.44 2.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.484 1.914 . . . . 0.0 113.224 -169.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -50.18 138.2 16.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.531 1.133 . . . . 0.0 113.286 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.85 126.17 26.52 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.058 1.343 . . . . 0.0 114.082 -173.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.4 tp -116.07 121.19 41.46 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 151.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.62 14.73 0.07 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.376 2.271 . . . . 0.0 116.333 -176.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 . . . . . 0 CA--C 1.543 0.683 0 C-N-CA 126.018 1.727 . . . . 0.0 114.085 -179.272 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 123.033 1.397 . . . . 0.0 113.94 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -99.49 -172.82 2.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.176 1.79 . . . . 0.0 112.061 170.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.55 -62.48 1.42 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -164.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 p -58.34 -57.79 11.37 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 pm0 -59.38 -39.81 84.53 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.818 -1.176 . . . . 0.0 112.575 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.61 -46.9 95.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.289 -0.882 . . . . 0.0 111.482 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.07 91.06 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.956 0.884 . . . . 0.0 111.061 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.8 t -73.03 -32.34 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.083 -1.011 . . . . 0.0 111.832 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.89 -29.1 54.99 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.48 -1.388 . . . . 0.0 114.35 166.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.78 -51.62 13.63 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 173.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 68.6 mt -47.78 -44.75 28.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.599 -1.313 . . . . 0.0 112.19 171.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -51.5 -57.11 9.94 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.122 -0.986 . . . . 0.0 112.46 172.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.253 9.2 mm-40 -81.33 -26.68 35.4 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -46.72 -46.34 20.18 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.115 -1.616 . . . . 0.0 109.875 155.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -78.28 -7.34 57.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.279 9.8 t-20 51.05 80.63 0.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 130.356 3.462 . . . . 0.0 116.342 -163.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.0 mp -136.43 110.37 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.088 1.755 . . . . 0.0 110.001 170.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -64.87 134.22 53.56 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 118.691 -1.204 . . . . 0.0 108.664 159.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 30.3 mm -96.56 132.32 26.57 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.944 1.298 . . . . 0.0 109.306 171.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.12 141.4 87.45 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.168 1.912 . . . . 0.0 112.617 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' SER . . . . . 0.428 ' H ' ' CG ' ' A' ' 89' ' ' ASP . 27.1 m -43.95 -49.48 8.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.784 1.234 . . . . 0.0 111.195 166.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.17 -47.07 46.1 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 17.7 mm -55.28 -54.08 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.692 -1.255 . . . . 0.0 109.824 172.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.7 mt -57.62 -44.73 85.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.989 -0.445 . . . . 0.0 110.743 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.15 -70.88 0.08 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.273 1.029 . . . . 0.0 111.693 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -52.95 -51.88 59.94 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.638 1.175 . . . . 0.0 111.331 -174.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -55.26 22.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.986 1.314 . . . . 0.0 111.946 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.75 -41.29 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 O-C-N 121.12 -0.987 . . . . 0.0 112.155 174.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.28 -49.44 77.6 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.823 0.849 . . . . 0.0 112.592 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -63.46 -28.05 69.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.371 -0.831 . . . . 0.0 112.304 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? 66.56 44.38 2.3 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.345 1.058 . . . . 0.0 113.555 164.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.01 155.58 19.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.574 0.75 . . . . 0.0 111.231 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -131.87 34.96 3.8 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.275 -0.89 . . . . 0.0 112.12 -168.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 30.0 t -160.82 135.14 7.2 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.527 -0.733 . . . . 0.0 111.483 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -52.38 -47.42 66.19 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.222 1.809 . . . . 0.0 111.823 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.5 -42.26 98.51 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.887 -1.133 . . . . 0.0 111.861 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -69.66 -34.13 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 120.61 -1.306 . . . . 0.0 111.254 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.31 -47.32 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.823 168.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.2 -29.88 71.14 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.111 -1.618 . . . . 0.0 113.061 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -64.28 -62.3 1.7 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.116 0.966 . . . . 0.0 110.922 169.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -57.49 -50.4 73.18 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.515 0.726 . . . . 0.0 111.44 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -51.69 -54.58 12.12 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 C-N-CA 123.03 0.532 . . . . 0.0 110.852 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.35 -37.28 80.19 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.903 -1.123 . . . . 0.0 112.471 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 28.2 m -58.41 -59.36 5.47 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.778 0.831 . . . . 0.0 111.838 172.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -65.76 -32.15 73.54 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.893 -1.129 . . . . 0.0 112.08 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -61.19 -29.5 69.84 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.313 -1.492 . . . . 0.0 111.246 168.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.271 87.8 m -80.47 -37.52 31.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.272 -1.518 . . . . 0.0 114.049 173.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -48.77 -60.33 2.82 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.026 0.83 . . . . 0.0 110.749 157.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -50.04 -46.31 52.95 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.54 -47.23 57.69 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.662 -0.649 . . . . 0.0 112.608 173.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.56 -40.32 66.76 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.756 0.707 . . . . 0.0 112.873 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -56.75 -33.17 66.3 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.025 -1.672 . . . . 0.0 112.087 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -78.02 -7.95 57.54 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.277 -1.514 . . . . 0.0 114.279 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -92.62 -48.61 6.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.125 1.77 . . . . 0.0 112.481 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -41.95 143.96 0.49 Allowed 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 135.18 57.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.289 1.435 . . . . 0.0 114.77 178.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -110.13 123.51 49.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.748 0.819 . . . . 0.0 109.41 155.675 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.1 29.26 0.05 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 128.179 2.592 . . . . 0.0 116.174 -178.741 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.437 ' H ' ' CG2' ' A' ' 95' ' ' VAL . 7.0 mp . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 122.306 1.05 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.7 t -86.24 -175.14 5.39 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.057 1.343 . . . . 0.0 113.357 171.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.74 -50.36 66.14 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -167.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.1 p -69.94 -48.65 57.59 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.315 -0.866 . . . . 0.0 113.331 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -69.19 -35.08 75.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.373 1.069 . . . . 0.0 110.602 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.36 -47.01 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 O-C-N 120.991 -1.068 . . . . 0.0 111.418 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.54 65.43 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 123.219 1.485 . . . . 0.0 111.985 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -74.95 -36.81 39.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.567 -1.333 . . . . 0.0 113.001 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.87 -32.81 72.23 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.272 1.429 . . . . 0.0 114.22 171.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -67.52 -55.57 12.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.769 -1.196 . . . . 0.0 107.769 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.22 -37.42 82.97 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.621 -1.299 . . . . 0.0 113.037 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -47.77 -50.07 26.71 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.952 -1.092 . . . . 0.0 112.221 165.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.6 -31.67 47.23 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -56.08 -29.43 60.56 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 119.282 -2.136 . . . . 0.0 111.818 158.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.1 m -85.99 -4.63 59.21 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.284 -1.51 . . . . 0.0 115.073 168.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 46.5 62.05 2.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.759 2.824 . . . . 0.0 114.148 -163.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.4 mt -118.48 97.74 5.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 125.91 1.684 . . . . 0.0 111.116 173.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 -71.26 108.19 4.62 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.081 -1.012 . . . . 0.0 110.329 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.8 mm -71.77 124.61 91.16 Favored Pre-proline 0 CA--C 1.545 0.777 0 O-C-N 119.297 -2.127 . . . . 0.0 111.007 175.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -71.74 148.57 52.89 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.102 1.868 . . . . 0.0 109.782 172.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -30.95 -43.06 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 127.092 2.157 . . . . 0.0 113.056 163.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.89 -5.58 55.82 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 127.0 2.12 . . . . 0.0 112.886 -166.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.7 mm -81.2 -45.43 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 119.786 -1.821 . . . . 0.0 109.958 155.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.1 mt -71.92 -35.67 55.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.878 0.871 . . . . 0.0 111.077 -167.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -31.41 -55.78 0.25 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.661 2.784 . . . . 0.0 112.024 165.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.12 -68.0 0.63 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.928 2.491 . . . . 0.0 110.537 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.17 -47.24 86.76 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -158.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.437 ' CG2' ' H ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -54.25 -26.98 16.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -174.416 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -73.22 -60.48 2.22 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.362 0.601 . . . . 0.0 110.798 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -94.42 53.83 1.74 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.968 0.907 . . . . 0.0 112.209 -176.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 34.0 0.17 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -169.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.1 mt 51.94 -154.02 0.19 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.642 0.777 . . . . 0.0 113.063 167.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -111.3 -52.56 2.78 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.048 1.339 . . . . 0.0 111.509 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.2 m -113.7 152.38 30.56 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -168.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -39.24 -54.39 1.81 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.273 1.029 . . . . 0.0 112.665 165.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -55.87 -39.97 72.28 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.606 -0.684 . . . . 0.0 111.825 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.23 -49.99 51.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.871 -0.518 . . . . 0.0 110.704 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.5 -36.05 76.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.831 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.28 2.3 pp -70.59 -39.04 74.06 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 120.078 1.308 . . . . 0.0 113.196 174.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -53.97 -56.35 18.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.468 1.031 . . . . 0.0 110.923 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -55.73 -57.48 11.84 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.929 1.292 . . . . 0.0 112.088 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.32 -47.38 77.98 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 123.889 0.876 . . . . 0.0 111.632 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.65 -37.99 83.33 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 120.659 1.572 . . . . 0.0 112.358 176.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.4 m -61.06 -60.42 3.8 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.617 -0.677 . . . . 0.0 112.049 171.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -56.62 -34.64 67.44 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.197 0.999 . . . . 0.0 112.243 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -30.49 71.55 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.471 -1.393 . . . . 0.0 111.525 172.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.252 54.9 m -77.98 -35.67 49.83 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.537 -1.352 . . . . 0.0 113.765 169.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -50.66 -57.72 7.57 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.722 1.146 . . . . 0.0 111.199 161.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -54.85 -44.11 73.69 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.733 -1.229 . . . . 0.0 113.413 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -47.65 -49.85 26.27 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.576 -1.328 . . . . 0.0 111.192 168.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.92 -42.48 94.67 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -54.16 -29.85 47.05 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 119.784 -1.822 . . . . 0.0 112.153 168.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.7 6.04 33.17 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.377 -1.452 . . . . 0.0 113.714 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -122.74 -32.13 3.6 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.635 2.374 . . . . 0.0 112.713 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -46.97 145.25 2.13 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.169 1.388 . . . . 0.0 114.174 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 132.45 47.39 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.513 1.525 . . . . 0.0 114.964 175.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.22 123.08 49.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.929 0.892 . . . . 0.0 109.109 152.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -74.9 30.58 0.09 Allowed 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.323 -1.486 . . . . 0.0 114.32 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.446 HH22 ' CD ' ' B' ' 110' ' ' GLU . 4.0 mmp_? . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 126.164 1.786 . . . . 0.0 113.724 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 CA--C 1.543 0.696 0 CA-C-O 121.222 0.534 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -97.02 176.92 5.78 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.867 1.267 . . . . 0.0 112.542 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.23 -61.64 0.86 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.696 1.598 . . . . 0.0 115.039 -168.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 p -61.93 -55.84 25.34 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -62.14 -35.2 78.03 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.876 -1.14 . . . . 0.0 112.192 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.58 -51.04 75.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 O-C-N 121.27 -0.894 . . . . 0.0 111.185 173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.84 -38.03 69.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.326 1.06 . . . . 0.0 111.496 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 t -72.0 -36.97 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 O-C-N 121.537 -0.727 . . . . 0.0 112.482 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.37 -27.82 69.34 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.932 -1.105 . . . . 0.0 113.96 168.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.67 -51.75 13.52 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.781 -0.574 . . . . 0.0 109.742 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 42.5 mt -46.51 -41.41 14.12 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.646 -1.284 . . . . 0.0 111.684 168.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -56.79 -56.23 24.21 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 169.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.11 -28.86 60.41 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 121.671 2.032 . . . . 0.0 114.14 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -49.78 -45.91 50.25 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.169 -1.582 . . . . 0.0 110.606 159.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.3 p -77.3 -6.18 52.23 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.013 -1.054 . . . . 0.0 113.658 175.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 42.52 69.82 0.34 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.608 2.763 . . . . 0.0 115.045 -159.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 62.7 mt -117.37 109.53 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.331 1.452 . . . . 0.0 112.667 167.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -69.78 121.5 17.35 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.745 -1.222 . . . . 0.0 110.459 167.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 48.7 mm -90.34 121.49 68.46 Favored Pre-proline 0 CA--C 1.543 0.696 0 O-C-N 119.987 -1.695 . . . . 0.0 110.207 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.53 126.16 21.05 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 121.636 1.557 . . . . 0.0 111.502 170.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -41.32 -41.34 1.91 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.998 2.119 . . . . 0.0 113.885 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -49.57 -45.25 47.51 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.233 1.013 . . . . 0.0 113.441 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 13.4 mm -50.06 -53.97 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 122.215 1.007 . . . . 0.0 110.522 169.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 41.0 mt -64.87 -46.84 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.209 -170.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -48.9 -63.7 1.02 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.206 1.002 . . . . 0.0 111.499 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.65 -55.48 29.2 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.719 -0.613 . . . . 0.0 109.886 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.01 -49.07 66.98 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -175.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 t -49.36 -38.19 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.733 1.213 . . . . 0.0 113.754 172.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -72.8 -58.35 3.4 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.647 0.779 . . . . 0.0 111.897 171.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -52.73 -48.64 66.54 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.106 1.362 . . . . 0.0 112.802 -174.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 61.27 75.63 0.4 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 164.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.83 173.32 5.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.646 0.779 . . . . 0.0 112.255 172.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -75.14 -35.96 61.62 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.081 -1.012 . . . . 0.0 112.994 -170.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 26.2 p -145.86 164.33 32.29 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -172.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -36.95 -54.03 0.95 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.522 2.729 . . . . 0.0 112.602 170.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -56.57 -47.18 80.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.141 0.972 . . . . 0.0 111.86 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.77 -44.37 73.8 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.794 -0.566 . . . . 0.0 110.781 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.11 -39.02 83.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.637 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.301 3.7 pp -63.97 -39.6 94.51 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.794 1.634 . . . . 0.0 112.204 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -60.38 -53.37 58.39 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.286 -0.884 . . . . 0.0 111.643 175.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -57.05 -55.56 33.1 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.997 1.319 . . . . 0.0 112.239 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 60.4 mt -49.09 -53.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 124.204 1.002 . . . . 0.0 111.224 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.446 ' CD ' HH22 ' A' ' 126' ' ' ARG . 82.5 mt-10 -62.64 -40.4 96.88 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.182 -0.949 . . . . 0.0 112.867 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 52.3 m -54.26 -53.62 51.24 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.18 -0.95 . . . . 0.0 111.709 170.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.26 -28.27 69.05 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.009 -1.057 . . . . 0.0 112.295 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -79.51 -4.43 51.31 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.251 -1.53 . . . . 0.0 113.545 171.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.317 12.4 m -83.09 -36.95 24.45 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 119.634 -1.916 . . . . 0.0 112.951 156.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.39 -64.42 0.83 Allowed 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.469 1.032 . . . . 0.0 111.846 160.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -55.43 -38.52 69.09 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.004 -1.06 . . . . 0.0 113.622 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.26 -57.13 6.39 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.616 -1.303 . . . . 0.0 112.653 164.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.96 -39.72 90.62 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.034 0.834 . . . . 0.0 112.217 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.402 ' CD ' ' HZ3' ' B' ' 122' ' ' LYS . 8.6 tp10 -57.5 -27.96 63.02 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.528 -1.358 . . . . 0.0 112.63 170.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -91.56 25.9 2.5 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.997 1.719 . . . . 0.0 112.627 170.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -146.35 -18.98 0.43 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . 0.402 ' HZ3' ' CD ' ' B' ' 119' ' ' GLU . 36.0 mtmt -68.45 50.26 0.07 Allowed 'General case' 0 CA--C 1.563 1.466 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -173.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.18 91.97 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 118.768 2.877 . . . . 0.0 118.768 164.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.96 93.05 6.86 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.245 -1.535 . . . . 0.0 112.058 167.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -63.28 -43.84 96.78 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.822 0.849 . . . . 0.0 112.116 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.446 0 C-N-CA 126.28 1.832 . . . . 0.0 114.794 170.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.273 5.0 tp . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 122.64 1.209 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.6 t -118.2 -167.35 1.34 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 128.196 2.598 . . . . 0.0 110.725 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -28.26 -69.76 0.05 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.355 2.262 . . . . 0.0 116.256 -164.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.08 -57.85 9.25 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -175.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pm0 -63.13 -29.78 71.07 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.517 -1.365 . . . . 0.0 112.864 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.55 -42.42 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 120.611 -1.306 . . . . 0.0 111.712 170.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.29 79.75 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.791 1.282 . . . . 0.0 111.43 172.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 t -62.47 -36.58 75.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 119.296 -2.128 . . . . 0.0 111.628 169.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -34.63 58.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 166.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -45.06 78.39 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.505 -0.747 . . . . 0.0 110.528 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.25 -36.55 84.04 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.108 -0.995 . . . . 0.0 111.33 174.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -59.79 -45.33 92.65 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.777 -1.202 . . . . 0.0 113.316 167.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.76 -50.86 72.35 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.891 0.769 . . . . 0.0 110.382 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -53.26 -40.22 64.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.082 1.353 . . . . 0.0 112.481 170.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 m -80.3 1.27 29.34 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 52.43 58.04 5.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.301 1.44 . . . . 0.0 111.735 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.4 mt -121.23 113.3 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 O-C-N 120.871 -1.143 . . . . 0.0 112.651 -174.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -78.94 128.91 33.9 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.988 -1.07 . . . . 0.0 110.323 168.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.2 mm -93.01 122.91 62.61 Favored Pre-proline 0 CA--C 1.542 0.663 0 O-C-N 120.898 -1.127 . . . . 0.0 111.276 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.6 141.71 73.78 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.376 2.05 . . . . 0.0 112.521 168.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -36.63 -51.37 0.85 Allowed 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.481 1.112 . . . . 0.0 110.906 156.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.5 3.05 4.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -175.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.1 mm -84.54 -50.43 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 120.597 -1.315 . . . . 0.0 108.979 155.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.76 -46.61 91.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 125.048 1.339 . . . . 0.0 110.074 -170.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -37.27 -37.58 0.18 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 129.173 2.989 . . . . 0.0 113.37 167.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.28 -62.96 1.33 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.697 1.599 . . . . 0.0 113.169 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -45.87 71.83 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.468 1.107 . . . . 0.0 113.594 -171.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.4 t -54.11 -21.99 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 124.624 1.17 . . . . 0.0 112.905 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -74.52 -44.42 51.32 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.137 -0.977 . . . . 0.0 112.098 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -65.98 -59.05 4.21 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -168.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? 62.24 81.0 0.21 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.977 1.311 . . . . 0.0 112.034 -169.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.3 mt -74.21 175.57 7.44 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 122.955 0.502 . . . . 0.0 111.069 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -77.54 -47.02 20.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.479 -0.763 . . . . 0.0 111.405 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.0 t -116.89 148.36 41.38 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -166.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -42.68 -48.01 5.44 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.658 1.583 . . . . 0.0 110.807 161.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -60.68 -40.89 93.82 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.742 -1.224 . . . . 0.0 112.684 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -67.89 -45.94 73.03 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.808 -0.557 . . . . 0.0 111.475 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . 0.272 33.4 m -64.67 -37.74 80.88 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.402 177.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.318 4.5 pp -66.13 -36.41 83.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 118.028 -1.469 . . . . 0.0 113.408 173.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -58.75 -57.45 12.96 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 120.775 -1.203 . . . . 0.0 111.596 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -53.19 -54.18 39.67 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.855 1.262 . . . . 0.0 111.481 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.81 -47.59 88.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 121.406 -0.808 . . . . 0.0 111.809 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.99 -41.48 64.65 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.103 -1.623 . . . . 0.0 112.097 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.1 m -61.89 -57.27 12.43 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.503 0.721 . . . . 0.0 112.241 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -60.95 -23.75 65.54 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.62 -1.3 . . . . 0.0 112.814 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 120' ' ' ASN . 14.9 ttt-85 -76.84 -21.35 55.17 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 119.817 -1.802 . . . . 0.0 112.557 170.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.5 m -72.05 -47.02 54.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 120.423 -1.423 . . . . 0.0 112.768 163.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -47.73 -61.2 2.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.252 0.933 . . . . 0.0 110.718 162.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -53.66 -46.17 70.5 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -39.65 79.6 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.616 -1.302 . . . . 0.0 112.519 173.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.25 -47.22 85.32 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.319 -0.863 . . . . 0.0 112.857 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.49 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 26.8 mm-40 -58.36 -33.61 69.76 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 119.885 -1.759 . . . . 0.0 112.382 174.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -73.07 -9.09 58.36 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.007 -1.683 . . . . 0.0 114.004 172.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -112.4 -40.76 4.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.717 2.007 . . . . 0.0 113.614 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.49 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 80.6 mttt -42.96 143.03 0.8 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.317 1.847 . . . . 0.0 114.87 -176.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 138.4 56.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.351 1.46 . . . . 0.0 114.094 173.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 tt -139.17 115.91 10.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.986 1.715 . . . . 0.0 108.122 166.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -74.32 27.19 0.08 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 -166.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 126.586 1.954 . . . . 0.0 114.899 176.373 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.271 6.6 mp . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 122.952 1.358 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.6 t -74.56 174.59 8.8 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.453 1.101 . . . . 0.0 111.808 165.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.83 -55.72 6.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.063 1.345 . . . . 0.0 113.53 -175.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 26.1 p -59.68 -59.61 5.16 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pm0 -65.13 -32.89 74.81 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 121.231 1.832 . . . . 0.0 112.96 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.11 -47.67 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 119.003 0.819 . . . . 0.0 110.959 170.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.91 87.99 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.257 0.551 . . . . 0.0 110.57 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 6.2 t -67.74 -39.2 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 O-C-N 121.152 -0.968 . . . . 0.0 111.266 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 23.8 mt -53.38 -30.14 38.26 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.918 1.287 . . . . 0.0 114.46 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -78.62 -48.15 15.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 29.6 mt -51.72 -40.13 59.63 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 119.838 -1.789 . . . . 0.0 112.599 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -49.12 -60.69 2.58 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.22 170.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -80.68 -27.75 36.98 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -48.23 -45.9 34.69 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 120.033 -1.667 . . . . 0.0 110.358 160.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.6 p -80.25 -1.15 39.45 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.285 -0.884 . . . . 0.0 113.23 177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 54.3 58.25 5.13 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.161 2.584 . . . . 0.0 113.355 -170.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 60.4 mt -116.71 117.84 56.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 125.06 1.344 . . . . 0.0 111.267 162.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -70.99 131.54 43.83 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 160.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 6.2 mm -88.16 134.33 35.11 Favored Pre-proline 0 CA--C 1.541 0.634 0 O-C-N 120.866 -1.146 . . . . 0.0 109.016 167.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.02 137.66 19.77 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 121.077 1.185 . . . . 0.0 110.222 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 4.8 m -46.36 -42.78 15.42 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.437 1.895 . . . . 0.0 112.764 -173.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -44.59 -58.84 2.77 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.975 1.31 . . . . 0.0 113.577 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.0 pt -70.05 -22.7 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 O-C-N 120.139 -1.601 . . . . 0.0 112.612 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 16.4 mt -62.43 -49.93 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 120.774 -1.204 . . . . 0.0 110.007 166.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -54.25 -42.05 69.46 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.574 1.15 . . . . 0.0 112.362 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -67.21 -64.76 0.79 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.434 0.694 . . . . 0.0 110.714 173.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.58 -49.49 36.47 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.8 1.24 . . . . 0.0 111.8 -174.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 56.0 t -53.84 -38.91 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 O-C-N 121.153 -0.967 . . . . 0.0 113.171 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -47.6 64.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.763 0.825 . . . . 0.0 112.317 173.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -55.02 -32.61 61.97 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.496 0.665 . . . . 0.0 111.729 173.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? 58.45 41.46 22.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.16 1.384 . . . . 0.0 112.197 169.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.0 157.39 5.83 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -76.77 -44.6 32.29 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -161.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.1 p -154.08 175.45 13.42 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.827 0.822 . . . . 0.0 112.65 -172.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' B' ' 102' ' ' GLU . 2.4 mp0 -54.23 -43.91 71.27 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 125.932 1.693 . . . . 0.0 113.457 -167.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -65.78 -34.02 77.21 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.122 0.963 . . . . 0.0 112.39 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 -69.61 -41.52 75.61 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 121.189 -0.944 . . . . 0.0 111.697 173.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.47 -56.7 14.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.278 2.1 pp -58.76 -47.41 84.76 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.469 -0.769 . . . . 0.0 112.465 -174.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . 0.253 2.7 p30 -65.34 -45.7 83.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.902 1.683 . . . . 0.0 112.789 -177.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -65.88 -55.45 16.92 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.458 -0.776 . . . . 0.0 112.085 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -44.57 50.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 O-C-N 121.206 -0.934 . . . . 0.0 110.744 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.29 -34.57 78.65 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.801 -1.187 . . . . 0.0 111.176 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 87.7 m -61.84 -58.24 8.74 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.209 0.604 . . . . 0.0 111.855 170.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -60.91 -41.89 96.98 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.595 1.188 . . . . 0.0 112.224 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -54.86 -32.13 60.37 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.234 -1.541 . . . . 0.0 111.921 167.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 54.4 m -78.07 -36.52 48.19 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 119.879 -1.763 . . . . 0.0 113.916 172.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.96 -57.94 5.68 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.516 1.053 . . . . 0.0 110.638 160.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -55.09 -40.47 70.45 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -55.57 -55.13 35.53 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.839 -1.163 . . . . 0.0 112.354 172.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.26 -38.03 87.73 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.622 0.725 . . . . 0.0 112.172 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -63.31 -53.17 56.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.712 1.205 . . . . 0.0 111.341 173.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . 0.407 ' HA ' ' CZ ' ' A' ' 113' ' ' ARG . 87.3 m-20 -68.46 -11.76 60.23 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.156 1.782 . . . . 0.0 114.413 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -39.41 94.46 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.015 0.926 . . . . 0.0 111.193 164.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.06 139.4 58.09 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -118.65 139.01 52.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.264 2.226 . . . . 0.0 111.072 -165.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.76 100.74 11.72 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.084 -1.01 . . . . 0.0 110.087 176.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -76.94 6.79 5.66 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.357 -1.465 . . . . 0.0 113.762 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 . . . . . 0 N--CA 1.471 0.582 0 C-N-CA 126.165 1.786 . . . . 0.0 113.736 172.108 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 CA--C 1.533 0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 t -76.03 178.52 6.25 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.801 0.81 . . . . 0.0 111.324 168.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.63 64.54 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -160.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.1 p -61.29 -51.22 69.81 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 120.842 -1.161 . . . . 0.0 113.508 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -66.46 -36.7 83.4 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.908 -1.12 . . . . 0.0 112.118 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.37 -46.48 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 120.855 -1.153 . . . . 0.0 111.671 172.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.13 69.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 122.791 1.281 . . . . 0.0 112.225 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.9 t -76.16 -32.58 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 119.977 -1.702 . . . . 0.0 112.18 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.88 -33.24 55.84 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.805 -1.184 . . . . 0.0 113.153 161.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . 0.257 0.0 OUTLIER -66.56 -45.11 80.43 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.728 -0.608 . . . . 0.0 109.869 174.714 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.36 -39.33 82.89 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.619 -1.301 . . . . 0.0 111.914 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -55.95 -47.0 78.4 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 117.558 -1.211 . . . . 0.0 113.068 170.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.261 67.0 mm-40 -80.45 -29.12 37.52 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -50.63 -28.7 9.33 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.293 -1.504 . . . . 0.0 110.779 155.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.76 -1.1 41.31 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 35.39 85.74 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 128.464 2.706 . . . . 0.0 115.58 -158.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -137.47 113.51 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 127.007 2.123 . . . . 0.0 111.232 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -66.69 134.69 52.75 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.543 -1.348 . . . . 0.0 109.358 160.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.0 mm -95.11 129.43 35.51 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 124.636 1.174 . . . . 0.0 109.791 171.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.48 122.51 11.89 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 121.882 1.721 . . . . 0.0 111.395 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.7 m -37.67 -41.15 0.46 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.173 2.189 . . . . 0.0 114.084 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -51.96 -41.83 62.41 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.5 mm -51.77 -59.39 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.811 0.815 . . . . 0.0 110.179 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.84 -45.46 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.004 0.922 . . . . 0.0 110.857 -172.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -50.75 -45.46 58.83 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.817 1.647 . . . . 0.0 112.317 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.1 -60.89 2.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.583 0.753 . . . . 0.0 111.538 172.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -46.81 38.29 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.16 0.984 . . . . 0.0 112.944 -169.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.07 -36.07 30.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 O-C-N 121.648 -0.658 . . . . 0.0 112.321 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -72.77 -50.13 26.37 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.248 1.419 . . . . 0.0 111.328 173.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -73.31 70.26 1.17 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.275 1.43 . . . . 0.0 110.958 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -63.35 77.34 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.556 1.542 . . . . 0.0 114.721 -172.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.93 166.44 13.52 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.679 0.792 . . . . 0.0 110.585 163.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -86.18 -62.78 1.44 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.219 -0.926 . . . . 0.0 111.385 -169.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.3 p -102.33 167.39 10.0 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -173.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -42.81 -53.53 4.56 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.841 0.829 . . . . 0.0 112.358 163.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -53.71 -43.6 69.12 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.352 1.072 . . . . 0.0 111.027 -171.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.35 -49.1 70.64 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 123.848 0.859 . . . . 0.0 111.06 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . 0.266 9.5 m -66.26 -40.62 87.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.181 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 4.6 pp -62.82 -30.6 71.61 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.242 -1.537 . . . . 0.0 112.444 173.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -68.0 -57.14 6.64 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.311 -1.493 . . . . 0.0 111.749 172.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -57.0 -53.44 58.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.264 0.625 . . . . 0.0 111.489 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -51.99 -51.25 30.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 123.27 0.628 . . . . 0.0 111.822 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -57.59 -40.44 79.04 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 120.979 1.718 . . . . 0.0 112.518 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.0 m -58.12 -57.77 11.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.691 0.796 . . . . 0.0 111.436 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.97 -33.05 66.67 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.548 1.939 . . . . 0.0 113.206 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -79.87 -16.12 56.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.901 2.48 . . . . 0.0 111.565 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.287 97.8 m -86.05 -37.22 19.13 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 119.899 -1.751 . . . . 0.0 112.595 166.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -48.87 -63.82 0.98 Allowed 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.638 -0.664 . . . . 0.0 111.604 156.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -55.27 -39.84 70.29 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.025 -1.047 . . . . 0.0 113.806 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -52.86 -52.66 56.5 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.827 -1.171 . . . . 0.0 112.54 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.25 -43.93 83.41 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.09 0.859 . . . . 0.0 112.588 175.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -59.21 -33.66 71.24 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.876 -1.14 . . . . 0.0 113.024 170.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -78.26 -10.86 59.84 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 119.617 -1.927 . . . . 0.0 114.229 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -96.31 -50.36 4.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.241 1.816 . . . . 0.0 112.896 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -46.39 147.23 1.2 Allowed 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -168.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.76 108.33 0.17 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 129.838 3.255 . . . . 0.0 117.082 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' B' ' 79' ' ' TYR . 0.3 OUTLIER -107.76 101.15 10.47 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.641 1.176 . . . . 0.0 111.546 168.053 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -12.1 60.36 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -169.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 CA--C 1.538 0.512 0 C-N-CA 125.96 1.704 . . . . 0.0 112.362 -168.686 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 122.974 1.369 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.3 m -74.55 160.45 30.87 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.055 0.942 . . . . 0.0 111.66 164.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.46 -52.1 0.84 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -177.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.4 p -59.32 -60.57 3.64 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -61.47 -33.11 73.2 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.277 -1.514 . . . . 0.0 112.501 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -45.17 95.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 O-C-N 121.511 -0.743 . . . . 0.0 111.646 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.9 86.03 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 122.759 1.266 . . . . 0.0 110.843 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.439 HG13 ' CE2' ' B' ' 79' ' ' TYR . 16.1 t -70.26 -36.33 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 O-C-N 120.848 -1.158 . . . . 0.0 111.87 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.37 -25.56 59.68 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 170.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -75.37 -46.21 34.45 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 171.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.3 mt -52.83 -44.75 66.95 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.631 -1.293 . . . . 0.0 109.816 170.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.455 ' HA ' ' CD2' ' A' ' 124' ' ' LEU . 36.7 m-85 -53.93 -61.23 2.44 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.696 0.68 . . . . 0.0 111.913 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -75.46 -44.03 46.28 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -166.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -53.31 -40.19 64.6 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 119.949 -1.719 . . . . 0.0 112.389 169.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.0 t -74.9 -4.44 38.02 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.806 -1.184 . . . . 0.0 113.489 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 66.56 48.47 1.48 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 129.548 3.139 . . . . 0.0 112.937 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 mp -114.88 109.11 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 125.555 1.542 . . . . 0.0 109.159 167.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -72.39 142.93 48.72 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.312 166.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 29.4 mm -105.06 129.47 24.76 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 124.795 1.238 . . . . 0.0 110.169 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -78.71 150.94 24.63 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.031 1.82 . . . . 0.0 111.446 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 7.0 m -36.73 -46.0 0.57 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 126.621 1.968 . . . . 0.0 112.157 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.64 -1.06 12.33 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.643 1.577 . . . . 0.0 115.084 -173.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.22 -44.56 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 120.855 -1.153 . . . . 0.0 109.46 158.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 81.6 mt -72.03 -43.13 67.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 124.976 1.31 . . . . 0.0 110.755 -168.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -28.98 -63.99 0.1 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 128.255 2.622 . . . . 0.0 112.362 164.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . 0.452 ' CG ' ' HH ' ' B' ' 108' ' ' TYR . 7.3 t0 -65.07 -70.23 0.24 Allowed 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.218 1.807 . . . . 0.0 109.108 175.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.27 -47.38 69.17 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -163.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 49.2 t -48.18 -46.97 13.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 O-C-N 121.227 -0.92 . . . . 0.0 113.339 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -84.21 -40.8 17.66 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.301 1.041 . . . . 0.0 112.138 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -50.37 -45.27 55.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.234 1.414 . . . . 0.0 112.017 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 63.85 61.8 0.94 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 160.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.88 165.4 17.7 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.585 -0.697 . . . . 0.0 111.327 167.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -107.67 5.69 27.05 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.733 1.382 . . . . 0.0 114.733 -160.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 19.8 p -153.88 165.0 37.46 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 120.262 -1.524 . . . . 0.0 114.615 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -46.16 -47.0 17.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.802 2.041 . . . . 0.0 111.236 167.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.49 -45.14 95.49 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 122.029 0.919 . . . . 0.0 111.11 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -67.71 -45.31 75.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.281 -0.887 . . . . 0.0 111.005 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 19.7 m -70.2 -34.0 57.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.342 0 O-C-N 121.567 -0.708 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 pp -67.39 -36.99 82.44 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.899 1.681 . . . . 0.0 112.352 172.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.12 -57.22 13.42 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 122.365 1.079 . . . . 0.0 110.337 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . 0.452 ' HH ' ' CG ' ' B' ' 93' ' ' ASP . 55.7 t80 -60.16 -55.01 39.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.646 1.178 . . . . 0.0 112.598 -176.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 86.8 mt -50.88 -46.91 30.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 O-C-N 121.343 -0.848 . . . . 0.0 111.186 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -61.33 -39.58 91.07 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.667 1.121 . . . . 0.0 112.518 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 25.6 m -59.04 -58.4 8.8 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.823 0.849 . . . . 0.0 112.3 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -61.34 -31.47 71.34 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.796 -1.19 . . . . 0.0 112.418 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -71.17 -20.6 62.27 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.151 1.38 . . . . 0.0 111.981 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 98.5 m -78.65 -43.89 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 119.928 -1.732 . . . . 0.0 112.162 168.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -46.09 -66.71 0.36 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.507 0.594 . . . . 0.0 110.444 159.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -56.85 -38.4 72.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.274 0.0 OUTLIER -58.92 -47.9 83.39 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.381 -1.45 . . . . 0.0 112.379 170.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.96 -43.69 95.03 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.383 0.992 . . . . 0.0 111.801 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.449 ' CD ' ' HZ3' ' B' ' 122' ' ' LYS . 42.0 tp10 -59.42 -39.71 84.34 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.733 -1.229 . . . . 0.0 111.881 177.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -71.7 -18.99 62.13 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.323 -1.485 . . . . 0.0 114.14 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -79.37 -32.26 43.09 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.673 1.589 . . . . 0.0 112.212 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . 0.449 ' HZ3' ' CD ' ' B' ' 119' ' ' GLU . 74.8 mttt -48.5 128.63 15.15 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.418 -0.801 . . . . 0.0 112.921 175.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 138.82 55.09 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.708 1.203 . . . . 0.0 113.924 174.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.77 100.57 8.56 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.052 0.842 . . . . 0.0 109.96 149.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -67.36 27.25 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.964 2.106 . . . . 0.0 115.913 -171.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 126.78 2.032 . . . . 0.0 114.196 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.9 p -110.45 171.95 7.16 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.374 1.469 . . . . 0.0 112.093 167.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -28.59 -66.62 0.08 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -159.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.5 p -63.8 -54.08 40.84 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -173.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.491 ' CD ' HH12 ' A' ' 98' ' ' ARG . 22.7 pm0 -60.37 -34.91 74.55 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.145 -1.597 . . . . 0.0 113.093 172.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.8 -47.82 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 120.475 -1.39 . . . . 0.0 110.486 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.61 93.78 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.252 1.025 . . . . 0.0 111.607 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.1 t -68.12 -38.3 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 O-C-N 120.627 -1.295 . . . . 0.0 112.012 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -41.0 79.43 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.887 0.875 . . . . 0.0 112.48 168.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.54 -48.41 81.16 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.581 -0.699 . . . . 0.0 110.032 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -55.45 -43.4 75.39 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.055 -1.028 . . . . 0.0 111.798 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.406 ' CD1' HD23 ' B' ' 124' ' ' LEU . 25.7 m-85 -53.14 -51.73 61.02 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 120.601 -1.312 . . . . 0.0 112.692 171.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.06 -31.46 25.35 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.458 1.026 . . . . 0.0 113.621 -167.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -49.89 -32.51 14.73 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.735 -1.228 . . . . 0.0 111.601 154.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -89.48 -8.74 52.25 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 173.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . 0.338 0.2 OUTLIER 54.94 50.41 15.6 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 131.401 3.88 . . . . 0.0 116.443 -163.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -116.62 73.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 120.103 -1.623 . . . . 0.0 112.144 -173.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -61.65 133.91 56.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.61 0.719 . . . . 0.0 112.094 -165.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.2 mm -85.24 125.55 69.73 Favored Pre-proline 0 CA--C 1.548 0.898 0 O-C-N 120.536 -1.353 . . . . 0.0 111.056 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.98 135.54 25.57 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.007 1.804 . . . . 0.0 109.13 171.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -40.35 -52.61 2.69 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 128.302 2.641 . . . . 0.0 113.113 -174.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -38.76 -47.23 1.36 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.2 mm -52.03 -55.62 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 121.334 -0.854 . . . . 0.0 111.079 173.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.36 -50.8 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.883 0.849 . . . . 0.0 110.518 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -51.86 -29.28 19.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.268 3.027 . . . . 0.0 112.912 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -83.87 -65.76 0.97 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.643 1.577 . . . . 0.0 112.469 166.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.29 -47.47 36.38 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.227 2.611 . . . . 0.0 112.858 -169.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 51.5 t -47.12 -42.66 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.281 1.032 . . . . 0.0 113.347 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -70.96 -50.33 35.75 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.262 -0.899 . . . . 0.0 111.749 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -77.37 69.87 3.68 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 122.337 1.065 . . . . 0.0 111.223 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.491 HH12 ' CD ' ' A' ' 72' ' ' GLU . 8.8 tpm_? -49.56 77.76 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.591 2.356 . . . . 0.0 114.699 -178.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.65 160.85 21.76 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.256 -0.903 . . . . 0.0 110.498 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -81.16 -62.08 1.76 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.574 1.149 . . . . 0.0 110.82 -171.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 t -102.63 153.66 19.89 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -166.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 29.4 mp0 -35.43 -51.59 0.61 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 128.018 2.527 . . . . 0.0 110.776 157.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -61.25 -40.81 95.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.112 -0.993 . . . . 0.0 112.009 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -72.05 -48.0 47.6 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.945 0.898 . . . . 0.0 111.379 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.3 m -63.78 -40.04 87.61 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 O-C-N 121.405 -0.809 . . . . 0.0 110.214 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.252 1.5 pp -67.2 -37.69 84.08 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 118.581 -1.248 . . . . 0.0 111.586 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -55.01 -57.52 11.37 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.516 -1.365 . . . . 0.0 111.943 170.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -53.67 -58.08 8.5 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.72 0.808 . . . . 0.0 111.596 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 93.0 mt -55.54 -53.65 34.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.071 0.948 . . . . 0.0 112.083 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -54.58 -48.24 72.36 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.058 -1.027 . . . . 0.0 112.171 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.1 m -56.96 -56.31 23.4 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.824 0.45 . . . . 0.0 111.639 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -66.65 -37.43 84.8 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.685 -0.634 . . . . 0.0 112.148 -174.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -66.57 -25.92 66.87 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.61 -1.931 . . . . 0.0 111.702 172.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 m -70.74 -39.18 73.47 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.887 -1.133 . . . . 0.0 113.809 165.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -57.07 7.45 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.97 1.259 . . . . 0.0 110.66 163.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -52.15 -44.94 64.81 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -49.71 -48.87 49.58 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.47 -1.394 . . . . 0.0 111.511 172.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.2 -46.27 91.16 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -51.61 -36.39 45.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.251 -1.531 . . . . 0.0 112.721 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -82.13 -0.54 45.27 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.573 -1.329 . . . . 0.0 113.648 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -112.23 -42.25 3.76 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.25 2.22 . . . . 0.0 112.75 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -50.0 154.42 1.12 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.58 132.99 55.44 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.044 1.737 . . . . 0.0 115.153 -176.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.4 HD13 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -125.35 130.17 51.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.96 0.904 . . . . 0.0 109.045 156.032 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.61 -1.7 11.96 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 . . . . . 0 CA--C 1.538 0.495 0 C-N-CA 126.575 1.95 . . . . 0.0 114.561 -178.876 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 122.479 1.133 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 6.6 m -105.21 179.14 4.36 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.501 1.921 . . . . 0.0 111.235 170.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.95 -68.2 0.15 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -169.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 2.4 p -58.35 -57.15 14.19 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -175.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -60.27 -39.38 86.62 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.829 -1.169 . . . . 0.0 112.077 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.73 -48.13 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.414 -0.804 . . . . 0.0 111.372 173.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.51 -49.12 78.55 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.597 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.77 -31.48 48.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 O-C-N 121.239 -0.913 . . . . 0.0 111.623 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.34 -32.3 69.98 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 167.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.92 -50.01 58.56 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 170.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.08 -40.22 67.04 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.276 -1.515 . . . . 0.0 111.52 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' A' ' 124' ' ' LEU . 24.8 m-85 -52.12 -66.0 0.46 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.361 0.982 . . . . 0.0 113.377 168.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -77.32 -32.28 55.14 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.696 1.134 . . . . 0.0 113.222 -168.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -56.66 -40.8 76.14 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.151 -1.593 . . . . 0.0 110.952 162.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -78.94 1.66 22.93 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.867 -1.146 . . . . 0.0 113.828 170.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.78 32.46 2.47 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.277 2.231 . . . . 0.0 111.761 170.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.1 mt -106.73 120.8 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 126.716 2.007 . . . . 0.0 111.069 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -75.26 152.71 38.24 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 118.856 -1.138 . . . . 0.0 112.232 162.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 34.4 mm -114.27 126.76 27.58 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.674 1.99 . . . . 0.0 109.767 170.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.6 138.63 67.02 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.521 2.148 . . . . 0.0 112.834 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.2 -49.36 12.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.926 0.89 . . . . 0.0 111.856 173.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.69 -46.99 5.27 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.26 -57.02 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 121.339 -0.85 . . . . 0.0 109.274 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.96 -45.4 87.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.396 0.678 . . . . 0.0 110.727 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -49.01 -57.23 6.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.712 1.605 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -72.26 -55.79 6.6 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.469 -0.769 . . . . 0.0 111.854 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.55 -46.36 7.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.797 1.639 . . . . 0.0 112.973 -177.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 51.0 t -54.61 -64.87 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 123.244 0.617 . . . . 0.0 111.92 168.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -35.12 65.67 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -174.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -61.18 -24.21 66.15 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 46.73 63.61 1.85 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 122.868 1.318 . . . . 0.0 112.989 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 32.6 mt -67.34 160.69 26.73 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.946 -1.096 . . . . 0.0 111.982 172.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -84.14 -48.35 9.93 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.324 1.05 . . . . 0.0 112.838 -157.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 46.4 p -145.61 174.36 11.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.283 1.039 . . . . 0.0 113.693 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -38.31 -43.72 0.83 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 130.378 3.471 . . . . 0.0 112.569 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -60.71 -50.22 74.35 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.399 -0.813 . . . . 0.0 111.856 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -68.95 -37.65 78.98 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.281 -0.887 . . . . 0.0 112.312 -177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.03 -44.37 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.563 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.4 pp -64.32 -36.23 83.45 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.16 1.345 . . . . 0.0 111.685 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -57.28 -62.17 1.95 Allowed 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.034 -1.041 . . . . 0.0 111.309 172.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -51.98 -56.28 15.22 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.456 0.702 . . . . 0.0 110.733 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.1 mt -57.05 -58.1 7.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 C-N-CA 122.77 0.428 . . . . 0.0 110.238 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.03 -37.56 69.37 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.71 -1.244 . . . . 0.0 112.715 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 64.9 m -63.05 -59.38 4.88 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.647 -0.658 . . . . 0.0 112.457 172.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -67.68 -34.79 77.61 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 122.267 1.032 . . . . 0.0 111.802 -174.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -54.01 -43.87 70.44 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.814 1.646 . . . . 0.0 111.122 165.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.262 53.3 m -64.57 -44.61 90.16 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 119.894 -1.754 . . . . 0.0 113.579 174.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -46.46 -58.08 4.09 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.553 0.615 . . . . 0.0 111.256 162.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -50.8 -48.45 59.57 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -57.51 -41.67 81.26 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.398 -1.439 . . . . 0.0 113.089 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.15 -45.21 74.17 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.256 0.934 . . . . 0.0 112.569 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -49.74 -34.11 18.09 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.267 -1.521 . . . . 0.0 112.249 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -90.02 20.94 3.93 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 120.323 -1.485 . . . . 0.0 112.668 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -121.86 -25.14 5.07 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.683 1.993 . . . . 0.0 113.311 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -75.2 58.09 0.9 Allowed 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -164.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.97 92.11 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.871 2.915 . . . . 0.0 118.871 162.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' A' ' 79' ' ' TYR . 20.7 tp -88.81 114.32 25.31 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 119.789 -1.819 . . . . 0.0 112.717 165.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -81.66 -36.9 28.28 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.443 1.497 . . . . 0.0 113.826 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 . . . . . 0 N--CA 1.479 1.012 0 C-N-CA 126.691 1.996 . . . . 0.0 116.331 169.591 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 121.07 0.462 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -70.34 -179.25 1.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.632 0.729 . . . . 0.0 111.409 162.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.74 30.81 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -162.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -64.27 -46.56 83.14 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.426 -1.421 . . . . 0.0 112.789 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -68.73 -32.09 71.63 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.574 -1.329 . . . . 0.0 113.005 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -45.22 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 119.648 -1.908 . . . . 0.0 111.427 171.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.46 -30.07 69.69 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.984 0.897 . . . . 0.0 112.315 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -42.48 40.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 120.326 -1.483 . . . . 0.0 112.12 173.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.01 -36.61 8.03 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.29 -0.881 . . . . 0.0 112.381 162.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . 0.259 0.0 OUTLIER -66.62 -46.42 75.92 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.506 -0.746 . . . . 0.0 110.872 173.322 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.07 -42.84 63.5 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.504 -1.372 . . . . 0.0 111.145 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.4 ' CE1' HD12 ' B' ' 124' ' ' LEU . 52.8 m-85 -61.77 -58.96 5.98 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 172.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.33 -27.7 42.1 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.369 1.44 . . . . 0.0 114.067 -170.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.49 -18.86 54.44 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.218 -1.551 . . . . 0.0 112.141 158.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -100.22 7.66 44.32 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.434 -1.416 . . . . 0.0 114.582 164.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 p30 47.95 32.53 2.87 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 129.749 3.22 . . . . 0.0 115.665 -170.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.5 mt -87.48 117.98 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 125.183 1.393 . . . . 0.0 111.435 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -71.74 139.03 48.92 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.136 -0.977 . . . . 0.0 110.743 166.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.2 128.9 24.83 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 126.039 1.736 . . . . 0.0 108.876 172.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.19 140.82 71.34 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.28 1.987 . . . . 0.0 113.066 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.8 t -39.82 -47.92 2.18 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.655 1.582 . . . . 0.0 111.568 162.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.42 -47.69 62.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.345 1.058 . . . . 0.0 113.443 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 mm -57.82 -48.17 84.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 120.657 -1.277 . . . . 0.0 109.946 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.1 -45.21 99.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 O-C-N 121.598 -0.689 . . . . 0.0 110.121 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -50.71 -50.76 54.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.225 1.81 . . . . 0.0 112.331 173.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -63.62 -69.2 0.29 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.164 0.985 . . . . 0.0 109.723 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -43.2 69.13 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.792 1.637 . . . . 0.0 113.528 -168.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.85 -33.17 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 O-C-N 120.386 -1.446 . . . . 0.0 112.617 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -54.75 6.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.922 0.889 . . . . 0.0 110.265 165.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 48.54 0.43 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 128.396 2.678 . . . . 0.0 113.316 -174.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.2 ttm105 -73.98 88.28 1.86 Allowed 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.707 -1.245 . . . . 0.0 112.739 -171.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.87 161.4 15.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.136 0.975 . . . . 0.0 110.615 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.18 -62.55 1.59 Allowed 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.815 -1.178 . . . . 0.0 110.429 -158.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.5 t -82.04 148.54 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.088 0.955 . . . . 0.0 112.591 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -39.24 -40.82 0.8 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.13 0.972 . . . . 0.0 112.59 159.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -58.15 -53.22 60.68 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.464 0.65 . . . . 0.0 111.108 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.93 -50.4 73.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.745 -0.597 . . . . 0.0 110.869 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.1 m -62.52 -37.93 80.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.919 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.291 0.9 OUTLIER -68.14 -36.46 79.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 120.457 1.48 . . . . 0.0 112.806 174.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.14 -55.67 29.68 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.796 0.808 . . . . 0.0 110.178 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.9 -51.94 67.54 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.834 0.854 . . . . 0.0 112.154 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -53.5 -52.98 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 O-C-N 121.441 -0.787 . . . . 0.0 110.588 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.9 -38.37 67.52 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.857 -1.152 . . . . 0.0 112.096 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.9 m -61.77 -59.19 5.53 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.585 -0.697 . . . . 0.0 112.509 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.41 -36.63 78.6 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 120.635 -1.291 . . . . 0.0 111.795 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -60.14 -30.54 69.36 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 119.914 -1.741 . . . . 0.0 111.99 169.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.2 m -75.7 -40.36 55.94 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.741 -1.224 . . . . 0.0 113.03 172.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -46.87 -54.38 10.06 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.142 0.883 . . . . 0.0 110.382 159.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -54.71 -43.53 72.64 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 175.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -48.29 -53.63 16.61 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.458 1.481 . . . . 0.0 111.049 170.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.92 -51.41 70.14 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.85 -0.531 . . . . 0.0 112.234 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -63.95 -14.42 53.64 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.801 -1.187 . . . . 0.0 113.942 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.3 -18.97 22.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 119.74 -1.85 . . . . 0.0 114.154 167.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -89.14 -47.19 8.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.963 2.105 . . . . 0.0 113.029 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -53.1 150.58 5.65 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -170.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.48 136.18 45.88 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.384 1.874 . . . . 0.0 115.385 -171.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.3 tp -126.24 125.63 42.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.021 1.328 . . . . 0.0 110.198 160.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.11 34.6 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.703 1.601 . . . . 0.0 114.952 177.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 126.613 1.965 . . . . 0.0 113.227 -178.314 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 121.185 0.516 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.6 p -75.55 178.99 5.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.659 0.784 . . . . 0.0 111.158 167.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.69 -54.42 42.06 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -157.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.8 p -62.74 -50.61 70.41 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.874 -1.141 . . . . 0.0 112.917 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 pm0 -63.98 -42.45 97.22 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.536 -1.353 . . . . 0.0 112.476 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -38.16 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 O-C-N 120.029 -1.669 . . . . 0.0 111.952 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.33 -52.93 42.14 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.72 0.772 . . . . 0.0 111.267 175.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.87 -35.95 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 120.933 -1.104 . . . . 0.0 111.485 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -41.71 76.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.428 1.091 . . . . 0.0 112.387 169.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.46 -51.73 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.481 -0.762 . . . . 0.0 109.686 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.8 mt -49.49 -43.46 45.28 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.389 -0.819 . . . . 0.0 112.941 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -53.27 -53.3 52.85 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.069 1.304 . . . . 0.0 112.502 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.67 -43.56 96.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.562 0.745 . . . . 0.0 111.695 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -53.83 -40.55 66.52 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.376 1.084 . . . . 0.0 110.758 167.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -8.1 54.45 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 173.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 66.3 56.22 0.81 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 128.058 2.543 . . . . 0.0 112.674 -171.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.5 mt -126.31 119.88 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.764 1.226 . . . . 0.0 110.912 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -75.89 138.97 41.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.285 161.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 mm -95.43 130.47 32.06 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 125.205 1.402 . . . . 0.0 110.086 170.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.91 131.67 43.48 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.561 2.174 . . . . 0.0 111.415 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.0 m -45.42 -46.04 13.17 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.183 1.393 . . . . 0.0 112.064 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -43.09 -43.24 4.33 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.2 mm -56.98 -54.88 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 O-C-N 120.607 -1.308 . . . . 0.0 109.883 173.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.16 -42.23 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 123.942 0.897 . . . . 0.0 111.449 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -52.13 -53.1 46.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.413 1.885 . . . . 0.0 112.158 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -68.67 -63.56 1.04 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.926 1.691 . . . . 0.0 112.274 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.05 -48.07 11.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.534 2.334 . . . . 0.0 113.878 -164.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 94.1 t -54.03 -37.95 36.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 O-C-N 121.422 -0.798 . . . . 0.0 112.948 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -74.08 -44.83 52.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.065 0.946 . . . . 0.0 111.869 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -52.87 -38.21 61.31 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.048 0.928 . . . . 0.0 110.935 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? 62.5 43.09 8.09 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.992 1.317 . . . . 0.0 114.228 161.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.16 160.66 17.9 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.391 -0.818 . . . . 0.0 112.223 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -82.52 -63.63 1.33 Allowed 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.294 -0.879 . . . . 0.0 111.212 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 25.2 p -104.66 164.88 11.44 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -169.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -50.0 -41.42 47.06 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.181 1.792 . . . . 0.0 111.449 172.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -62.12 -43.67 98.31 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.401 -0.812 . . . . 0.0 112.135 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.06 -50.36 62.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.751 -0.593 . . . . 0.0 110.796 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 17.9 m -63.19 -42.08 95.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.788 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.07 -41.58 97.28 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.106 1.321 . . . . 0.0 111.712 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . 0.285 5.9 p30 -73.96 -43.16 59.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.969 1.259 . . . . 0.0 113.09 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -60.01 -51.85 67.91 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.422 -0.799 . . . . 0.0 111.717 172.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 77.3 mt -51.88 -53.25 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 O-C-N 121.39 -0.819 . . . . 0.0 109.966 176.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.19 -36.57 70.98 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.082 -1.011 . . . . 0.0 112.93 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 67.6 m -61.52 -56.75 16.59 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.253 -0.904 . . . . 0.0 112.177 171.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.72 -34.34 72.79 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.823 -1.173 . . . . 0.0 112.274 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -68.55 -20.89 64.56 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.509 1.923 . . . . 0.0 111.902 172.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.29 76.8 m -80.03 -47.44 14.9 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 119.069 -2.269 . . . . 0.0 112.674 170.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -47.57 -51.62 20.36 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.331 0.514 . . . . 0.0 112.078 161.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -56.61 -49.85 73.71 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.301 13.0 pttm -52.98 -42.43 65.53 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 121.142 1.792 . . . . 0.0 113.228 170.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.88 -47.32 83.09 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.871 1.214 . . . . 0.0 112.469 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -62.49 -30.22 71.11 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.03 -1.669 . . . . 0.0 113.474 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -73.72 -20.46 60.51 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 119.425 -2.047 . . . . 0.0 113.092 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -94.52 -51.4 4.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.702 2.401 . . . . 0.0 113.449 -175.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -41.91 139.64 1.23 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.096 1.758 . . . . 0.0 115.699 -168.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 127.11 22.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.901 1.281 . . . . 0.0 114.426 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.4 HD12 ' CE1' ' A' ' 79' ' ' TYR . 1.1 tt -111.37 111.19 22.06 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 158.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.41 1.21 3.17 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -171.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 11.9 mmp_? . . . . . 0 CA--C 1.545 0.771 0 C-N-CA 126.239 1.816 . . . . 0.0 113.863 179.32 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 121.717 0.77 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -62.39 163.11 9.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.6 1.96 . . . . 0.0 111.347 170.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.28 -52.79 41.86 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -169.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.3 p -62.51 -48.06 81.21 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.444 -1.41 . . . . 0.0 113.372 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -63.29 -44.85 93.86 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.038 -1.039 . . . . 0.0 111.913 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -44.12 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 120.699 -1.25 . . . . 0.0 111.549 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.43 86.36 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.038 0.923 . . . . 0.0 111.557 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.8 t -74.65 -39.38 46.69 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 O-C-N 120.907 -1.12 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -40.85 29.66 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.121 -0.987 . . . . 0.0 113.068 161.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.53 -49.73 45.14 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.786 -0.571 . . . . 0.0 109.862 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.7 mt -50.64 -44.19 57.3 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.751 -1.218 . . . . 0.0 112.081 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -51.1 -52.81 40.01 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.087 -1.008 . . . . 0.0 112.601 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -76.76 -26.7 54.83 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 120.273 1.397 . . . . 0.0 114.247 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -56.57 -25.88 53.7 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 119.601 -1.937 . . . . 0.0 111.712 158.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.43 3.67 55.0 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 170.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 37.83 67.75 0.36 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.212 2.605 . . . . 0.0 115.395 -156.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.2 mt -121.32 110.93 29.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 125.063 1.345 . . . . 0.0 111.022 170.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -72.97 148.39 44.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 120.024 -0.67 . . . . 0.0 109.58 166.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mm -114.3 126.05 28.47 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 124.774 1.23 . . . . 0.0 109.734 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.76 130.04 37.82 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.247 1.965 . . . . 0.0 111.153 172.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 m -44.49 -38.94 4.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.462 1.105 . . . . 0.0 113.639 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.46 -43.94 17.02 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 171.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.9 mm -56.09 -55.38 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.137 -0.977 . . . . 0.0 109.922 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.35 -41.93 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 124.219 1.007 . . . . 0.0 111.051 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -46.34 -59.13 3.13 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.065 1.346 . . . . 0.0 111.456 172.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -71.21 -49.72 40.57 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.741 0.817 . . . . 0.0 112.232 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -47.16 -54.08 11.51 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.216 -0.928 . . . . 0.0 111.526 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.6 t -59.48 -34.84 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 174.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -58.73 -46.6 87.03 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 120.026 -1.671 . . . . 0.0 111.764 169.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -81.73 -68.48 0.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 63.22 89.62 0.09 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 128.563 2.745 . . . . 0.0 112.062 -168.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.88 175.47 8.02 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.47 0.653 . . . . 0.0 112.595 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -58.17 -39.9 80.06 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.341 -0.849 . . . . 0.0 112.945 -163.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 p -169.29 174.91 5.84 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.125 0.97 . . . . 0.0 112.082 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 3.1 mp0 -35.58 -54.54 0.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 129.527 3.131 . . . . 0.0 113.204 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.55 -43.44 98.8 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.349 -0.844 . . . . 0.0 111.838 -178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.26 -39.45 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.447 -0.783 . . . . 0.0 112.298 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.05 -48.98 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.963 172.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 4.0 pp -61.69 -35.26 77.49 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.632 -1.292 . . . . 0.0 112.872 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -55.98 -59.51 4.8 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.62 -1.3 . . . . 0.0 111.561 170.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.56 -52.98 63.19 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.229 1.012 . . . . 0.0 111.462 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.8 mt -53.16 -51.89 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.839 0.856 . . . . 0.0 111.188 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.96 -38.87 73.58 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.305 -1.497 . . . . 0.0 112.251 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.4 m -58.72 -59.04 6.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.384 0.674 . . . . 0.0 111.563 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.36 -34.67 69.06 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.92 -1.112 . . . . 0.0 113.641 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -72.01 -22.18 61.45 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.255 1.822 . . . . 0.0 111.512 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.261 99.4 m -79.64 -41.67 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 119.7 -1.875 . . . . 0.0 112.359 169.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -48.08 -59.82 3.09 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.579 0.627 . . . . 0.0 111.106 158.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -51.73 -46.22 63.92 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.252 14.1 pttm -60.12 -48.24 82.55 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.4 -1.437 . . . . 0.0 114.121 169.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.15 -46.97 84.7 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.482 1.492 . . . . 0.0 112.838 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -44.28 -54.6 5.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.844 1.658 . . . . 0.0 111.152 164.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -66.02 -26.99 67.78 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.215 -1.553 . . . . 0.0 113.707 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -69.99 -19.67 63.33 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.755 1.622 . . . . 0.0 112.915 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -56.04 130.07 42.47 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.898 -1.126 . . . . 0.0 113.219 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 141.94 22.15 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 170.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.409 HD11 ' CE1' ' B' ' 79' ' ' TYR . 0.1 OUTLIER -127.6 122.39 33.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.521 1.528 . . . . 0.0 109.064 155.137 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -72.01 24.41 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 126.327 1.851 . . . . 0.0 114.311 178.364 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 96.4 mt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 47.7 m -122.94 -168.25 1.72 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.696 1.998 . . . . 0.0 112.272 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.72 -74.12 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 -157.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.58 -43.67 93.12 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -173.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 -65.93 -35.66 81.21 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.023 -1.048 . . . . 0.0 112.626 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.96 -49.69 78.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.194 -0.941 . . . . 0.0 110.94 172.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.93 82.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 122.401 1.096 . . . . 0.0 111.097 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.47 -33.02 60.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.082 -1.011 . . . . 0.0 111.837 175.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.67 -29.24 69.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 168.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -78.04 -45.35 23.87 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.796 -0.565 . . . . 0.0 110.199 172.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 46.5 mt -50.7 -41.27 55.8 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 119.257 -2.152 . . . . 0.0 111.03 169.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.409 ' CE1' HD11 ' A' ' 124' ' ' LEU . 16.1 m-85 -58.22 -58.04 10.24 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 120.935 -1.103 . . . . 0.0 113.798 166.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -78.57 -32.94 47.95 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 120.137 1.335 . . . . 0.0 113.51 -165.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -43.96 -47.63 8.56 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.03 -1.669 . . . . 0.0 111.009 154.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -79.79 3.2 20.26 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.075 1.35 . . . . 0.0 113.0 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 42.05 58.06 3.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.43 3.092 . . . . 0.0 115.072 -164.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 21.3 mt -108.24 112.46 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.556 1.143 . . . . 0.0 111.663 170.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 50.6 ttp85 -86.81 115.27 24.12 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.162 -0.961 . . . . 0.0 109.796 166.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.35 132.91 89.45 Favored Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 120.548 -1.345 . . . . 0.0 111.45 173.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.53 135.88 29.65 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.844 1.696 . . . . 0.0 109.324 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 33.6 p -49.41 -38.62 29.65 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.595 1.958 . . . . 0.0 114.548 -171.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -44.19 -51.47 8.14 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.492 1.117 . . . . 0.0 113.162 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 mm -48.81 -52.31 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 121.982 0.896 . . . . 0.0 110.459 172.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -65.8 -42.54 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.65 -171.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -48.25 -70.24 0.1 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.506 0.593 . . . . 0.0 110.867 169.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -53.03 -51.82 60.46 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 122.682 1.229 . . . . 0.0 110.388 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -43.73 90.53 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.32 -0.863 . . . . 0.0 112.944 -178.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.5 t -58.06 -35.79 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 121.156 -0.965 . . . . 0.0 112.703 171.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -66.38 -63.86 0.98 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.33 0.968 . . . . 0.0 112.407 169.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -65.96 -43.57 87.53 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.221 -0.925 . . . . 0.0 112.893 -171.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 57.15 72.47 0.51 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 168.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.23 171.7 1.28 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.799 1.285 . . . . 0.0 114.339 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.86 -66.12 0.59 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 120.743 -1.223 . . . . 0.0 110.344 -164.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.37 173.46 11.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.177 0.991 . . . . 0.0 113.046 -167.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.3 mp0 -44.65 -54.64 5.96 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 127.502 2.321 . . . . 0.0 112.499 -170.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.6 -39.88 77.86 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.502 -0.749 . . . . 0.0 111.617 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -69.32 -50.82 43.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.843 -0.536 . . . . 0.0 111.342 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 34.7 m -64.06 -37.45 79.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 C-N-CA 119.18 -1.008 . . . . 0.0 111.035 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.74 -39.36 76.82 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.358 1.436 . . . . 0.0 112.578 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -46.28 84.74 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.375 0.989 . . . . 0.0 111.176 175.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -58.64 -55.62 32.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.476 0.71 . . . . 0.0 112.122 175.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.8 mt -51.12 -54.52 10.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 124.063 0.945 . . . . 0.0 110.86 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -31.56 72.77 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.168 -0.957 . . . . 0.0 111.876 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -61.95 -58.6 7.28 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.091 -1.005 . . . . 0.0 113.142 168.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -57.33 -35.74 70.25 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.397 -1.439 . . . . 0.0 111.212 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -68.46 -30.59 69.49 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 119.775 -1.828 . . . . 0.0 112.121 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.2 m -68.37 -43.61 77.02 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.038 1.335 . . . . 0.0 112.492 168.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -47.84 -53.57 15.15 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.582 0.628 . . . . 0.0 110.15 162.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -54.91 -40.69 70.1 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -50.74 -58.03 6.91 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 120.611 1.55 . . . . 0.0 110.643 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.14 -45.48 91.71 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.863 0.839 . . . . 0.0 111.983 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -53.62 -39.95 65.36 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.8 -1.187 . . . . 0.0 112.083 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -74.29 -17.24 60.88 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.245 -1.534 . . . . 0.0 114.448 172.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -80.8 -38.15 28.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.374 1.87 . . . . 0.0 111.955 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -47.26 149.9 0.95 Allowed 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 134.09 36.36 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.222 1.809 . . . . 0.0 114.738 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 15.7 tp -112.54 119.38 37.98 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.724 0.81 . . . . 0.0 109.243 152.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.44 27.62 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.449 1.899 . . . . 0.0 115.765 -176.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? . . . . . 0 CA--C 1.542 0.65 0 C-N-CA 126.699 1.999 . . . . 0.0 113.523 -176.718 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.354 6.8 mp . . . . . 0 CA--C 1.548 0.886 0 CA-C-O 122.728 1.252 . . . . 0.0 111.876 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.9 t -83.83 -172.03 3.93 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.702 2.001 . . . . 0.0 111.704 161.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.09 -58.85 5.31 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -170.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.4 p -63.57 -49.35 73.73 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.375 -0.828 . . . . 0.0 113.098 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 pm0 -69.12 -33.21 73.1 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.887 -1.133 . . . . 0.0 112.568 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.37 -48.44 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 120.764 -1.21 . . . . 0.0 111.008 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.4 -39.92 70.77 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.151 0.977 . . . . 0.0 111.237 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.251 8.6 t -71.89 -33.84 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 O-C-N 121.532 -0.73 . . . . 0.0 112.653 176.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.09 -33.64 76.23 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 168.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -70.06 -50.49 40.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.598 -0.689 . . . . 0.0 109.202 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -52.05 -45.15 64.58 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.603 -1.311 . . . . 0.0 111.386 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -49.43 -49.09 46.61 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.077 -1.014 . . . . 0.0 112.798 170.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -83.42 -29.88 27.77 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.12 -17.81 20.86 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 119.198 -2.189 . . . . 0.0 112.174 154.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.83 -1.62 45.76 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 165.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 47.63 59.78 3.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 130.019 3.328 . . . . 0.0 114.508 -164.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.4 mt -112.62 98.39 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 124.389 1.076 . . . . 0.0 111.234 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.2 73.46 7.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.055 176.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.5 mm -32.1 129.15 0.32 Allowed Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 126.665 1.986 . . . . 0.0 113.631 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -71.69 139.11 33.25 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.902 1.735 . . . . 0.0 109.74 170.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.0 p -48.46 -42.14 31.62 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 125.878 1.671 . . . . 0.0 112.905 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.71 -49.54 4.27 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 172.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 mm -49.32 -55.63 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.923 0.868 . . . . 0.0 109.618 172.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.8 mt -64.98 -40.3 88.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.443 0.697 . . . . 0.0 110.708 -174.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.57 -59.28 4.2 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.608 1.563 . . . . 0.0 110.223 177.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.25 -56.45 14.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.294 -0.879 . . . . 0.0 111.712 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -48.13 76.12 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -168.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.25 -31.07 36.8 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.647 1.179 . . . . 0.0 113.256 172.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -51.13 17.15 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.569 -0.707 . . . . 0.0 111.721 171.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -59.75 -52.58 64.89 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.872 0.869 . . . . 0.0 112.905 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 59.78 68.64 0.77 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.778 1.231 . . . . 0.0 113.327 -177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.02 158.4 13.57 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.908 -0.495 . . . . 0.0 110.56 166.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -60.46 2.37 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.015 0.912 . . . . 0.0 111.229 -167.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.5 t -81.42 139.75 35.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.885 0.85 . . . . 0.0 113.268 -171.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -33.42 -49.85 0.3 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.132 1.773 . . . . 0.0 112.08 155.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -68.12 -36.27 79.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.394 -1.441 . . . . 0.0 112.777 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.01 -45.93 76.05 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.496 -0.753 . . . . 0.0 111.629 177.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.3 m -63.16 -43.24 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 118.983 0.81 . . . . 0.0 110.084 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.6 pp -67.32 -37.94 84.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 118.382 -1.327 . . . . 0.0 113.002 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -55.81 -58.37 8.15 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.265 -0.897 . . . . 0.0 111.349 172.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -54.97 -55.19 33.48 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.419 1.087 . . . . 0.0 111.967 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.17 -53.56 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.802 -0.561 . . . . 0.0 111.054 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -52.65 -44.42 66.13 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.645 -1.284 . . . . 0.0 112.357 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 m -56.53 -53.33 58.83 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.45 -0.781 . . . . 0.0 111.889 172.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -66.56 -31.25 71.84 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.867 -1.146 . . . . 0.0 113.858 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -60.57 -28.06 68.17 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 119.967 -1.708 . . . . 0.0 111.364 165.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.32 44.7 m -80.3 -40.07 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 119.866 -1.771 . . . . 0.0 114.297 174.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -47.63 -55.3 9.65 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.28 0.946 . . . . 0.0 110.796 157.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -52.81 -44.07 66.37 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -53.52 -52.14 60.57 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.108 -0.995 . . . . 0.0 112.886 170.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.77 -42.07 98.51 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 121.994 0.902 . . . . 0.0 112.021 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.5 -29.39 69.95 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.202 -1.561 . . . . 0.0 112.895 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -77.79 1.99 18.48 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 119.862 -1.774 . . . . 0.0 113.479 171.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -127.3 -20.49 4.06 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.434 1.894 . . . . 0.0 113.774 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -71.35 35.75 0.05 Allowed 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 118.314 2.709 . . . . 0.0 118.314 -162.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' B' ' 82' ' ' SER . 0.0 OUTLIER 62.18 124.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.597 2.359 . . . . 0.0 117.277 168.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.97 124.65 35.59 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.591 1.556 . . . . 0.0 109.785 159.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.59 33.94 0.11 Allowed 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.553 -1.342 . . . . 0.0 114.079 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.489 HH22 ' CD ' ' B' ' 110' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 127.051 2.14 . . . . 0.0 114.268 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t -85.1 -175.75 5.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.554 0.742 . . . . 0.0 111.449 163.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -61.77 2.1 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -158.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 7.9 p -57.65 -45.96 84.81 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.421 -1.425 . . . . 0.0 113.4 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -68.62 -42.29 78.31 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.021 -1.049 . . . . 0.0 111.459 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.32 -40.31 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 120.615 -1.303 . . . . 0.0 111.53 175.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.1 99.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.999 0.904 . . . . 0.0 111.499 174.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -72.68 -35.3 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 O-C-N 120.653 -1.28 . . . . 0.0 112.585 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -39.99 58.45 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.417 1.087 . . . . 0.0 113.055 161.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.49 -49.96 42.98 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.873 -0.517 . . . . 0.0 109.892 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.54 -44.8 66.02 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.353 -1.467 . . . . 0.0 111.81 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -52.7 -49.29 65.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.536 171.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.26 64.9 mm-40 -79.84 -29.64 40.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 121.366 1.894 . . . . 0.0 114.478 -177.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -52.81 -28.85 24.51 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 119.856 -1.778 . . . . 0.0 111.195 155.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' SER . . . . . 0.403 ' O ' ' NZ ' ' A' ' 123' ' ' LYS . 29.6 m -95.75 1.58 53.43 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 171.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 40.17 69.12 0.34 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.454 2.302 . . . . 0.0 116.75 -160.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -122.19 105.2 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 126.122 1.769 . . . . 0.0 111.835 168.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.4 110.71 18.84 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 120.054 -1.654 . . . . 0.0 110.691 -177.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 33.3 mm -70.3 132.06 88.14 Favored Pre-proline 0 CA--C 1.551 1.016 0 O-C-N 118.814 -2.429 . . . . 0.0 112.225 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . 0.42 ' CD ' HH12 ' B' ' 113' ' ' ARG . 59.1 Cg_endo -77.42 136.52 15.82 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.163 2.575 . . . . 0.0 109.394 168.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -44.39 -40.67 5.59 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 128.717 2.807 . . . . 0.0 113.537 -176.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.61 -37.91 42.87 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 21.0 mm -55.62 -53.0 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 O-C-N 121.004 -1.06 . . . . 0.0 109.933 170.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.63 -45.18 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.874 -168.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -35.72 -59.2 0.58 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.649 1.979 . . . . 0.0 111.879 171.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.4 -62.95 1.19 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.723 1.209 . . . . 0.0 110.874 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.55 -42.08 64.11 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.84 1.256 . . . . 0.0 113.349 -164.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 72.0 t -48.17 -41.26 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 O-C-N 121.246 -0.909 . . . . 0.0 112.862 173.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -74.05 -42.87 59.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.33 1.052 . . . . 0.0 112.464 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -71.38 67.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.329 1.452 . . . . 0.0 110.663 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -67.21 77.88 0.15 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.291 1.436 . . . . 0.0 113.52 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.62 173.05 2.96 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.604 0.761 . . . . 0.0 111.936 172.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -71.19 -43.89 66.52 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.614 -0.679 . . . . 0.0 112.754 -168.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 4.4 p -168.6 175.24 6.27 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -170.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 3.0 mp0 -33.06 -56.51 0.39 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 130.201 3.4 . . . . 0.0 114.338 178.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -57.93 -47.36 83.09 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.881 -1.137 . . . . 0.0 111.414 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -69.11 -38.42 78.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.913 -0.492 . . . . 0.0 111.715 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.63 -39.28 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.795 173.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.269 1.1 pp -64.11 -40.4 96.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 121.269 1.849 . . . . 0.0 111.121 176.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -53.77 -57.47 10.77 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.431 -0.793 . . . . 0.0 110.716 172.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -56.49 -58.4 8.17 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.565 -0.709 . . . . 0.0 112.309 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 83.9 mt -49.36 -46.55 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 123.768 0.827 . . . . 0.0 111.374 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . 0.489 ' CD ' HH22 ' A' ' 126' ' ' ARG . 56.2 mt-10 -66.79 -36.7 83.01 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 68.9 p -61.25 -51.74 67.66 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 120.535 -1.353 . . . . 0.0 112.082 168.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -67.34 -28.75 68.24 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.666 -1.271 . . . . 0.0 112.541 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . 0.42 HH12 ' CD ' ' B' ' 87' ' ' PRO . 2.0 ttt85 -65.9 -29.78 70.26 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.04 -1.663 . . . . 0.0 111.48 167.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 92.5 m -75.22 -35.48 61.47 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.976 -1.078 . . . . 0.0 113.238 170.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -51.93 -56.46 13.99 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.365 0.984 . . . . 0.0 110.399 157.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -54.7 -41.85 70.76 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -60.69 -45.33 94.59 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.698 -1.251 . . . . 0.0 111.536 172.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.14 -48.36 76.33 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.188 0.904 . . . . 0.0 112.697 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -51.26 -41.91 60.71 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.549 -1.344 . . . . 0.0 111.568 171.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -79.44 -9.14 59.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 173.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -82.44 -32.93 28.72 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.24 1.816 . . . . 0.0 111.487 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -47.62 122.02 4.5 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.76 130.81 42.14 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.368 2.267 . . . . 0.0 114.434 172.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 26.8 tp -99.02 113.84 26.22 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.54 1.064 . . . . 0.0 109.933 149.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -69.69 -29.96 67.5 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.034 0.934 . . . . 0.0 112.677 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 C-N-CA 127.323 2.249 . . . . 0.0 115.282 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 CA--C 1.544 0.724 0 CA-C-O 121.921 0.867 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -113.74 -177.93 3.25 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.472 1.509 . . . . 0.0 112.175 170.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -30.61 -65.16 0.12 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.693 1.997 . . . . 0.0 116.22 -170.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.7 p -65.17 -57.57 8.22 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -57.38 -42.49 82.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.132 -0.98 . . . . 0.0 112.047 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.77 -47.67 92.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 120.901 -1.124 . . . . 0.0 111.35 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.79 70.21 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.749 0.785 . . . . 0.0 112.392 177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.8 t -75.5 -45.4 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 O-C-N 121.081 -1.012 . . . . 0.0 112.151 174.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.95 -42.05 65.08 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.423 1.489 . . . . 0.0 113.45 169.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.68 -54.18 46.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.566 0.698 . . . . 0.0 109.159 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.67 -35.61 70.8 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.777 -0.577 . . . . 0.0 112.489 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -55.13 -59.51 4.67 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.167 0.894 . . . . 0.0 111.97 168.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -70.88 -28.55 64.64 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 120.057 1.299 . . . . 0.0 112.537 -173.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -55.74 -39.59 71.34 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.405 -1.434 . . . . 0.0 112.344 160.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.4 p -80.63 5.77 14.59 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 170.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 57.98 42.5 22.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.396 2.278 . . . . 0.0 113.174 -173.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.2 mt -105.54 104.3 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 124.565 1.146 . . . . 0.0 112.363 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -69.26 142.74 54.09 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.872 0.844 . . . . 0.0 111.724 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.1 mm -108.59 120.47 46.22 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.253 1.421 . . . . 0.0 110.202 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.82 134.79 26.49 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 121.778 1.652 . . . . 0.0 109.961 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -34.1 -56.01 0.49 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.755 2.422 . . . . 0.0 114.391 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -32.14 -50.39 0.22 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.209 1.803 . . . . 0.0 114.404 173.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.2 mm -53.22 -55.02 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 O-C-N 120.781 -1.199 . . . . 0.0 111.028 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.25 -46.18 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 C-N-CA 124.277 1.031 . . . . 0.0 111.355 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -50.27 -49.76 52.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.12 1.768 . . . . 0.0 112.212 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -70.36 -61.23 1.85 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.375 1.47 . . . . 0.0 111.507 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.82 -42.98 48.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.289 1.436 . . . . 0.0 113.972 -165.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.6 t -49.94 -39.97 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 O-C-N 121.401 -0.812 . . . . 0.0 112.729 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -72.32 -44.48 62.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.037 0.935 . . . . 0.0 111.85 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -56.23 -40.45 74.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.222 1.009 . . . . 0.0 111.799 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? 63.14 44.62 5.64 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 157.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.94 169.23 17.32 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.183 -0.948 . . . . 0.0 113.425 -171.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -80.04 -58.96 2.91 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 120.821 -1.174 . . . . 0.0 112.075 -168.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.4 p -115.55 168.2 10.21 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -171.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -46.05 -42.23 13.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.47 1.108 . . . . 0.0 113.15 169.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -64.61 -45.98 84.61 Favored 'General case' 0 C--O 1.222 -0.391 0 O-C-N 121.148 -0.97 . . . . 0.0 111.073 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.43 -46.44 79.93 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.919 -1.113 . . . . 0.0 111.259 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.98 -42.4 94.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.406 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.016 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.94 -39.33 93.35 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.404 1.456 . . . . 0.0 112.24 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -60.21 -56.85 16.55 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.092 0.86 . . . . 0.0 110.461 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -58.56 -51.4 70.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.798 0.439 . . . . 0.0 111.648 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.84 -54.63 15.44 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 O-C-N 121.535 -0.728 . . . . 0.0 110.837 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -30.47 71.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.982 -1.074 . . . . 0.0 111.923 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.4 m -61.87 -58.62 7.26 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.663 -1.273 . . . . 0.0 112.659 169.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.73 -34.16 75.32 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.276 -1.515 . . . . 0.0 111.7 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -63.94 -33.84 76.63 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 119.551 -1.968 . . . . 0.0 111.536 171.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 97.9 m -62.93 -44.86 94.94 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.116 -0.99 . . . . 0.0 112.376 167.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -47.3 -56.68 6.34 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.614 0.643 . . . . 0.0 110.892 164.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -54.38 -41.08 68.8 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 174.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -51.11 -55.27 18.6 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.67 -1.269 . . . . 0.0 109.295 170.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.66 -45.63 88.93 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.911 0.884 . . . . 0.0 113.007 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.49 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 73.8 mm-40 -53.07 -45.56 68.2 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.587 -1.321 . . . . 0.0 111.961 173.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -75.13 -20.13 59.56 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.76 -43.4 37.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.698 1.599 . . . . 0.0 112.349 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.49 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 47.3 mtmt -53.07 144.19 15.89 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -172.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -60.97 136.65 58.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.394 2.278 . . . . 0.0 114.533 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.02 121.66 44.55 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 153.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.46 -9.38 12.46 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 125.947 1.699 . . . . 0.0 112.635 -178.238 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.541 0.624 0 CA-C-O 122.822 1.296 . . . . 0.0 112.649 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -96.29 170.76 9.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.331 2.653 . . . . 0.0 111.683 169.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.26 -66.22 0.13 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.055 1.742 . . . . 0.0 115.446 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.6 p -60.73 -56.37 22.11 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -61.28 -38.07 85.45 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.336 1.426 . . . . 0.0 112.174 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.63 -46.39 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.244 -0.91 . . . . 0.0 111.704 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.06 74.99 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.975 0.893 . . . . 0.0 110.901 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . 0.287 7.4 t -78.32 -27.76 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 O-C-N 121.317 -0.864 . . . . 0.0 112.685 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.62 -37.63 73.61 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.03 -1.669 . . . . 0.0 112.857 166.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.41 -52.12 62.9 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -49.71 -43.01 47.3 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.626 -0.671 . . . . 0.0 112.226 172.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -57.25 -66.4 0.46 Allowed 'General case' 0 C--O 1.239 0.501 0 O-C-N 120.467 -1.395 . . . . 0.0 113.51 170.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.58 -42.96 67.14 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.442 -0.786 . . . . 0.0 111.507 -167.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -57.93 -39.0 76.93 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.905 -1.122 . . . . 0.0 112.345 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 45.3 t -60.23 -50.21 74.54 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 120.777 -1.202 . . . . 0.0 111.228 171.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.252 26.7 p-10 123.81 40.82 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 130.658 3.583 . . . . 0.0 112.941 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 40.7 mt -116.83 119.87 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 126.632 1.973 . . . . 0.0 110.77 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -80.64 145.99 31.39 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.213 0.53 . . . . 0.0 110.954 164.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 mm -106.72 133.91 20.06 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 125.168 1.387 . . . . 0.0 112.403 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.45 133.57 46.67 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.765 2.31 . . . . 0.0 112.786 165.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.6 p -44.96 -56.28 4.74 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.688 1.995 . . . . 0.0 113.28 172.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -36.08 -56.97 0.72 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.078 1.751 . . . . 0.0 114.511 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 pt -65.38 -37.26 79.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 O-C-N 120.742 -1.224 . . . . 0.0 113.035 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -56.75 -46.86 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 119.866 1.212 . . . . 0.0 111.053 173.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -53.95 -63.66 1.08 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.672 0.789 . . . . 0.0 111.263 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.59 -45.48 93.81 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.839 -1.163 . . . . 0.0 110.754 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.71 -51.31 50.91 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.006 -1.059 . . . . 0.0 112.842 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.24 -39.44 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 120.962 -1.087 . . . . 0.0 113.554 174.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.86 -53.87 47.51 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.731 0.812 . . . . 0.0 112.957 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -51.48 -31.55 24.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.268 1.427 . . . . 0.0 112.002 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 57.22 61.25 2.6 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.669 1.223 . . . . 0.0 112.808 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.68 156.15 36.05 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.729 164.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -93.54 -58.56 2.24 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.024 0.53 . . . . 0.0 111.59 -159.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 21.2 p -106.17 164.99 11.56 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -45.46 -39.65 7.43 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.534 2.333 . . . . 0.0 111.95 171.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -62.57 -47.75 82.48 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.219 -0.926 . . . . 0.0 112.127 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -68.51 -43.96 75.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.969 -0.457 . . . . 0.0 110.671 -176.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.17 -41.6 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.01 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.256 1.1 pp -64.79 -36.6 84.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.351 1.432 . . . . 0.0 111.749 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -58.47 -58.04 10.27 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.883 -1.135 . . . . 0.0 111.484 174.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -52.34 -59.96 3.79 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.526 0.73 . . . . 0.0 111.019 175.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.2 mt -57.79 -47.97 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.241 0.616 . . . . 0.0 110.853 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.64 -42.87 93.73 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.049 -1.657 . . . . 0.0 112.423 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.1 m -60.74 -51.7 68.24 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.663 -0.648 . . . . 0.0 111.722 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -73.67 -29.37 62.27 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.169 -0.957 . . . . 0.0 112.703 -174.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -57.83 -43.99 86.16 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.22 -1.55 . . . . 0.0 110.916 161.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.315 98.2 m -60.52 -44.64 95.82 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.654 -1.279 . . . . 0.0 113.307 175.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -48.76 -58.45 4.77 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.4 0.545 . . . . 0.0 112.062 159.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -55.38 -41.44 72.61 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.256 17.4 pttm -59.79 -44.9 93.71 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 121.019 1.736 . . . . 0.0 112.56 169.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.8 -46.33 84.79 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 120.34 1.427 . . . . 0.0 111.979 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -55.03 -46.0 75.22 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.96 1.304 . . . . 0.0 112.455 173.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -66.22 -27.89 68.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.028 1.331 . . . . 0.0 112.299 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -79.97 -33.01 39.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.405 1.882 . . . . 0.0 113.417 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -43.11 135.11 3.33 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.81 0.844 . . . . 0.0 112.232 173.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -95.35 114.92 26.74 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -173.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 15.5 tp -70.28 85.41 0.57 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.709 -1.244 . . . . 0.0 111.109 169.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -55.18 -24.48 27.16 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.868 1.267 . . . . 0.0 114.322 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 169.807 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 CA--C 1.543 0.711 0 CA-C-O 122.843 1.306 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.3 t -84.06 177.9 8.06 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.402 1.481 . . . . 0.0 112.175 166.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.38 -62.46 1.26 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -172.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 p -58.13 -55.58 33.18 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -60.7 -39.99 90.6 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.851 -1.156 . . . . 0.0 111.889 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.86 -44.88 91.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 120.892 -1.13 . . . . 0.0 111.75 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.42 -42.37 87.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.883 0.849 . . . . 0.0 111.562 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t -79.92 -38.04 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.475 -0.766 . . . . 0.0 112.181 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.54 -42.29 15.59 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.809 -1.182 . . . . 0.0 112.638 163.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.46 -52.41 58.14 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.975 -0.453 . . . . 0.0 109.856 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.6 mt -51.56 -46.08 63.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.91 -0.493 . . . . 0.0 110.708 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -57.92 -59.91 4.53 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.101 -1.0 . . . . 0.0 112.219 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.08 -41.74 81.43 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.718 0.69 . . . . 0.0 110.786 -172.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -59.4 -38.16 79.88 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.607 -1.308 . . . . 0.0 112.67 170.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.1 t -69.39 -7.36 36.85 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.242 -1.536 . . . . 0.0 113.493 172.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 66.93 48.07 1.34 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.916 2.487 . . . . 0.0 111.677 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mt -122.29 84.89 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 126.185 1.794 . . . . 0.0 110.791 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -58.87 127.63 33.18 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.821 -0.549 . . . . 0.0 112.274 -171.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.6 mm -86.19 115.92 63.81 Favored Pre-proline 0 CA--C 1.544 0.738 0 O-C-N 120.808 -1.182 . . . . 0.0 110.755 167.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -72.89 140.16 31.41 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.461 1.441 . . . . 0.0 108.837 168.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.6 p -51.93 -28.61 17.07 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.354 1.462 . . . . 0.0 113.403 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.97 -35.5 59.04 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.603 1.161 . . . . 0.0 114.042 172.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.57 -42.86 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 119.99 -1.694 . . . . 0.0 110.33 169.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.7 mt -68.64 -43.08 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.911 0.885 . . . . 0.0 110.922 -172.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -37.77 -58.17 0.93 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.541 1.936 . . . . 0.0 112.106 165.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -68.66 -65.94 0.64 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 122.565 1.174 . . . . 0.0 109.95 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -53.44 17.7 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.925 1.29 . . . . 0.0 113.575 -171.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 68.9 t -52.28 -49.83 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 121.388 -0.82 . . . . 0.0 112.53 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.64 -41.21 72.47 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.782 0.719 . . . . 0.0 112.665 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -55.24 -36.61 66.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.006 0.922 . . . . 0.0 112.615 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 55.1 68.9 0.79 Allowed 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 123.666 1.698 . . . . 0.0 113.706 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.08 163.37 25.17 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.557 158.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -123.76 -39.08 2.44 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -164.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.8 t -87.01 147.07 25.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.147 0.885 . . . . 0.0 111.628 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -49.23 -36.15 19.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.324 1.45 . . . . 0.0 111.409 166.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -62.64 -47.36 84.07 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.907 -1.121 . . . . 0.0 112.228 172.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -63.88 -48.93 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.221 -0.925 . . . . 0.0 111.588 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.36 -42.84 97.06 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.284 1.0 OUTLIER -63.78 -41.6 97.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 120.204 1.366 . . . . 0.0 112.597 178.117 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.41 -56.42 21.6 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.217 -0.927 . . . . 0.0 110.899 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -63.08 -49.08 75.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.411 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -50.98 -55.91 6.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 174.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.261 32.4 mt-10 -63.06 -30.89 71.95 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.701 -1.25 . . . . 0.0 113.474 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.6 m -60.48 -57.76 11.38 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.416 -0.802 . . . . 0.0 112.133 165.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.43 -31.5 72.74 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.517 -1.365 . . . . 0.0 112.944 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -65.01 -32.09 73.65 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.116 -1.615 . . . . 0.0 111.033 168.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.329 96.8 m -69.01 -39.1 79.5 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.45 -1.406 . . . . 0.0 114.024 168.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.35 -64.37 0.81 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.339 0.972 . . . . 0.0 110.529 158.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -52.2 -42.11 63.23 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -58.08 -49.94 75.2 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.022 -1.049 . . . . 0.0 112.418 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.65 -39.54 67.09 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.04 0.837 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -52.33 -45.63 65.71 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.226 -1.546 . . . . 0.0 111.562 167.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.38 -4.41 10.95 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 119.582 -1.949 . . . . 0.0 113.844 172.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -104.34 -8.86 18.93 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.937 2.095 . . . . 0.0 111.724 172.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -67.21 128.57 36.89 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.908 -1.12 . . . . 0.0 110.855 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 138.05 58.28 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -175.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.77 104.4 14.41 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.726 -0.609 . . . . 0.0 109.524 155.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.95 21.7 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -172.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 125.252 1.421 . . . . 0.0 114.497 -174.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -122.55 -168.52 1.75 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.974 2.109 . . . . 0.0 111.25 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -33.8 -69.77 0.09 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.394 1.877 . . . . 0.0 115.115 -165.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 4.3 p -62.53 -64.15 1.01 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -55.53 -40.69 72.17 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.269 -1.519 . . . . 0.0 112.638 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 89.6 t -62.78 -43.66 98.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 120.985 -1.072 . . . . 0.0 111.906 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.56 -47.62 83.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.005 0.907 . . . . 0.0 111.327 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.32 -30.27 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 O-C-N 120.893 -1.13 . . . . 0.0 111.045 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -34.85 60.84 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.79 -1.194 . . . . 0.0 113.633 167.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -76.67 -50.51 13.55 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 73.2 mt -47.04 -38.58 11.25 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.5 -1.375 . . . . 0.0 111.758 173.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -59.35 -58.56 8.09 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 167.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -76.01 -30.94 58.68 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.655 1.116 . . . . 0.0 113.728 -170.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -59.59 -25.73 64.85 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 119.331 -2.105 . . . . 0.0 111.763 159.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.32 -1.77 58.15 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 119.845 -1.784 . . . . 0.0 114.86 165.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 51.45 56.19 8.28 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 130.973 3.709 . . . . 0.0 114.545 -166.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 31.1 mt -110.61 111.95 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 124.431 1.093 . . . . 0.0 111.584 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -72.97 119.77 17.68 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.887 -1.133 . . . . 0.0 108.053 163.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 28.1 mm -83.46 126.17 72.13 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 120.419 -1.426 . . . . 0.0 109.238 168.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.72 137.96 33.57 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.604 2.202 . . . . 0.0 112.717 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -47.38 -44.49 24.28 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 125.129 1.372 . . . . 0.0 111.682 174.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.52 -44.71 69.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 171.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.79 -52.9 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 120.719 -1.238 . . . . 0.0 109.315 172.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.83 -45.38 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.861 -0.524 . . . . 0.0 110.441 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -48.42 -59.28 3.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.628 1.171 . . . . 0.0 112.546 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.81 -54.79 18.94 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 122.022 -0.424 . . . . 0.0 111.637 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -48.85 37.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.464 1.106 . . . . 0.0 111.718 -175.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.74 -41.5 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 124.835 1.254 . . . . 0.0 112.534 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -67.37 -53.59 28.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.776 0.83 . . . . 0.0 111.554 173.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -62.55 -32.15 73.06 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.018 -1.051 . . . . 0.0 113.381 -174.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? 62.87 51.96 2.81 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 157.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.82 179.58 1.07 Allowed 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.82 -43.83 4.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.421 1.088 . . . . 0.0 113.536 -167.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.7 t -120.7 152.85 37.73 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -39.22 -48.44 1.78 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 128.67 2.788 . . . . 0.0 112.137 167.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -62.07 -43.57 98.56 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.475 0.655 . . . . 0.0 111.793 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -67.73 -46.28 72.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.155 -0.966 . . . . 0.0 111.025 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 19.1 m -64.68 -44.59 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 118.611 -0.709 . . . . 0.0 109.655 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.26 2.1 pp -62.43 -42.16 99.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.942 1.247 . . . . 0.0 112.079 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -61.58 -55.4 31.22 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.98 0.809 . . . . 0.0 110.766 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -59.67 -52.27 66.25 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.839 0.456 . . . . 0.0 110.987 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -52.6 -55.12 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 O-C-N 121.691 -0.631 . . . . 0.0 111.501 175.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -66.98 -30.66 70.85 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.32 -1.487 . . . . 0.0 113.257 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 85.2 m -60.12 -60.3 4.04 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.564 -0.71 . . . . 0.0 111.651 165.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -55.86 -37.25 68.52 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.4 1.095 . . . . 0.0 112.355 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -68.71 -27.83 66.3 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.904 1.681 . . . . 0.0 111.405 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 70.5 m -78.93 -37.44 39.74 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.554 -1.341 . . . . 0.0 113.002 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -49.27 -59.46 3.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.763 0.71 . . . . 0.0 111.163 159.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -50.97 -47.89 61.23 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.15 -0.969 . . . . 0.0 113.146 175.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -50.09 -49.45 51.47 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.052 -1.03 . . . . 0.0 111.765 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.43 -44.08 83.86 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -50.38 -40.42 49.6 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.052 -1.655 . . . . 0.0 111.409 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -81.18 13.72 2.7 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.513 -1.367 . . . . 0.0 113.05 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -125.62 -23.17 4.1 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 127.142 2.177 . . . . 0.0 113.542 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -59.79 163.06 4.74 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 116.64 18.29 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -99.62 112.92 25.09 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.764 -1.21 . . . . 0.0 110.641 167.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.48 18.58 5.19 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -170.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 170.108 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.26 7.8 mp . . . . . 0 CA--C 1.54 0.59 0 CA-C-O 123.537 1.637 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -66.53 168.77 8.6 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.343 -1.299 . . . . 0.0 111.321 168.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.7 -52.9 10.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.302 1.041 . . . . 0.0 113.286 -176.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.2 p -59.88 -43.03 94.97 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.27 -45.37 80.74 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 122.308 1.051 . . . . 0.0 110.555 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -64.25 -45.61 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 121.286 -0.884 . . . . 0.0 110.84 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.16 96.68 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.599 -0.688 . . . . 0.0 111.452 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.59 -41.28 85.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.49 -0.756 . . . . 0.0 111.653 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.06 -36.52 70.63 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 170.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.57 -51.45 42.53 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.34 -49.93 17.03 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.021 -1.049 . . . . 0.0 112.123 170.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -49.17 -53.14 22.47 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.998 -1.064 . . . . 0.0 112.913 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -85.15 -24.79 27.81 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -172.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -49.0 -45.09 41.82 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.083 -1.636 . . . . 0.0 109.534 153.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 m -75.66 -7.09 53.44 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 53.17 73.66 0.35 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.214 3.006 . . . . 0.0 114.284 -167.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.5 mt -133.65 110.09 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 125.798 1.639 . . . . 0.0 110.591 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -65.37 129.76 40.9 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.077 165.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.0 mm -96.57 125.74 46.0 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 124.741 1.216 . . . . 0.0 109.042 170.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.98 140.54 69.32 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 121.851 1.7 . . . . 0.0 112.001 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.6 p -50.16 -36.46 30.29 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.803 -0.561 . . . . 0.0 110.883 163.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.16 -22.01 66.58 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.346 1.458 . . . . 0.0 114.716 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.63 -53.37 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 119.412 -2.055 . . . . 0.0 109.07 163.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.6 -40.56 79.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.227 1.411 . . . . 0.0 110.275 -169.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -29.63 -71.9 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.648 2.379 . . . . 0.0 112.863 163.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.51 -54.52 7.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.016 0.526 . . . . 0.0 110.874 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -38.56 -57.91 1.1 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.116 1.766 . . . . 0.0 112.226 -177.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.3 t -54.61 -64.22 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.478 0.711 . . . . 0.0 112.33 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -69.03 -44.74 72.11 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.832 1.196 . . . . 0.0 114.066 -172.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -42.99 86.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -151.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.91 -153.53 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.911 1.685 . . . . 0.0 110.083 -175.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 79.5 139.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 128.096 2.558 . . . . 0.0 111.781 169.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -135.44 -40.95 0.71 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.383 1.073 . . . . 0.0 112.211 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 t -95.27 146.8 24.09 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 176.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -34.82 -47.37 0.34 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.133 2.573 . . . . 0.0 111.565 161.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -62.83 -44.78 95.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.687 1.195 . . . . 0.0 112.338 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -65.89 -49.47 67.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.916 -0.49 . . . . 0.0 111.35 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.2 m -62.13 -40.85 89.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.401 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.705 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.65 -40.27 92.31 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.875 1.216 . . . . 0.0 112.094 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.17 -57.3 13.64 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.19 -0.944 . . . . 0.0 111.102 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -53.43 -57.4 10.79 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.235 1.414 . . . . 0.0 112.193 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 82.5 mt -54.56 -53.1 34.29 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 C-N-CA 123.576 0.75 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.33 -40.94 92.42 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.07 -1.019 . . . . 0.0 111.967 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.5 m -58.19 -54.08 51.04 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.18 -0.95 . . . . 0.0 111.764 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -64.56 -32.6 74.32 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.372 -1.455 . . . . 0.0 112.235 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -67.03 -20.87 65.92 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 119.926 -1.734 . . . . 0.0 111.659 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.285 47.8 m -74.61 -44.26 51.51 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.242 -1.536 . . . . 0.0 112.756 164.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -59.07 3.41 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 118.612 0.642 . . . . 0.0 111.587 161.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -51.81 -48.47 63.86 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -57.96 -37.58 74.43 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 120.662 1.573 . . . . 0.0 112.878 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 56.9 mt -64.22 -49.08 73.37 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.178 0.899 . . . . 0.0 111.915 173.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.57 -25.31 67.24 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 119.956 -1.715 . . . . 0.0 113.48 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.6 1.66 54.56 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.176 -1.578 . . . . 0.0 113.263 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -106.16 -60.28 1.67 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.794 2.038 . . . . 0.0 110.89 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -36.17 147.48 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 128.264 2.626 . . . . 0.0 117.322 -166.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 90.72 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.893 2.077 . . . . 0.0 116.522 -169.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.33 107.92 8.91 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.512 -0.743 . . . . 0.0 110.24 150.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.96 27.64 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.911 1.685 . . . . 0.0 115.045 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? . . . . . 0 CA--C 1.544 0.723 0 C-N-CA 127.046 2.138 . . . . 0.0 113.872 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.8 t -123.11 -168.38 1.75 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.469 3.107 . . . . 0.0 110.97 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.9 -71.84 0.07 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -167.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.5 p -65.37 -50.73 64.44 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -170.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -64.8 -38.93 92.65 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.704 -1.247 . . . . 0.0 111.824 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.8 -43.92 93.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 O-C-N 120.926 -1.109 . . . . 0.0 111.455 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.19 92.01 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 122.238 1.018 . . . . 0.0 111.004 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.57 -33.13 55.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 O-C-N 120.736 -1.228 . . . . 0.0 112.067 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -38.42 68.87 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.102 -0.999 . . . . 0.0 112.457 166.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -70.91 -48.74 51.94 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.821 -0.55 . . . . 0.0 109.816 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.68 -41.96 61.79 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.907 -1.12 . . . . 0.0 111.774 173.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -53.84 -50.28 66.58 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 117.924 -1.036 . . . . 0.0 113.225 172.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -84.32 -30.87 25.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.807 1.639 . . . . 0.0 114.872 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -55.26 -30.42 60.05 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.071 -1.643 . . . . 0.0 111.354 156.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 44.3 m -82.42 -17.74 44.34 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m120 83.28 45.05 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 129.844 3.258 . . . . 0.0 112.447 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.49 109.83 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 127.746 2.418 . . . . 0.0 110.674 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -70.41 117.81 12.43 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.859 -1.151 . . . . 0.0 110.1 163.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -70.23 128.1 91.7 Favored Pre-proline 0 CA--C 1.541 0.609 0 O-C-N 121.116 -0.99 . . . . 0.0 110.764 166.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -56.54 129.52 35.16 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 121.801 1.667 . . . . 0.0 111.122 166.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 58.2 m -44.18 -39.68 4.53 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.646 1.578 . . . . 0.0 112.232 168.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.61 -24.74 34.86 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.398 1.479 . . . . 0.0 114.967 174.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 mm -68.51 -49.61 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 119.633 -1.917 . . . . 0.0 109.958 165.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.18 -35.05 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.472 1.109 . . . . 0.0 111.023 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -39.81 -53.9 2.19 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.088 1.755 . . . . 0.0 112.587 164.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -63.41 1.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.086 1.755 . . . . 0.0 111.142 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -42.76 56.84 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.024 0.93 . . . . 0.0 113.434 -165.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.2 t -50.84 -40.74 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.794 0.838 . . . . 0.0 113.253 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -75.53 -45.06 40.35 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.549 0.613 . . . . 0.0 111.371 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.89 -39.59 89.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.822 1.249 . . . . 0.0 112.614 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.16 46.93 18.06 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 158.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.56 162.75 9.93 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.343 -0.848 . . . . 0.0 111.836 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -96.48 -47.52 5.93 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -169.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -92.36 150.04 21.07 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.985 1.266 . . . . 0.0 114.129 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -42.42 -46.95 4.89 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.167 2.587 . . . . 0.0 111.624 165.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.31 -46.08 86.83 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.496 -0.753 . . . . 0.0 111.607 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.29 -46.68 72.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.452 -0.78 . . . . 0.0 111.026 -175.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.48 -43.26 96.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.216 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.4 pp -65.66 -36.95 85.15 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.542 1.519 . . . . 0.0 111.926 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.86 -60.08 4.26 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.32 -0.863 . . . . 0.0 111.048 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -61.14 -50.98 71.01 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.982 -0.448 . . . . 0.0 111.677 -177.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -48.3 -49.36 12.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.484 0 O-C-N 121.122 -0.986 . . . . 0.0 111.928 171.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.22 -41.02 92.17 Favored 'General case' 0 CA--C 1.553 1.08 0 O-C-N 120.215 -1.553 . . . . 0.0 113.166 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 60.3 p -63.43 -48.36 78.08 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.28 -1.513 . . . . 0.0 112.758 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.1 -36.59 82.19 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.809 -1.182 . . . . 0.0 112.277 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -65.04 -20.44 66.49 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.327 2.251 . . . . 0.0 111.246 169.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.291 61.2 m -83.65 -41.62 17.57 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 119.047 -2.283 . . . . 0.0 114.148 168.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -45.43 -56.05 5.43 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.795 1.179 . . . . 0.0 110.747 158.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -58.89 -38.35 78.67 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -53.09 -49.65 66.01 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 119.934 -1.729 . . . . 0.0 112.12 166.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.84 -51.49 67.33 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.332 0.969 . . . . 0.0 112.247 175.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.04 -28.87 69.37 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.405 -1.434 . . . . 0.0 113.475 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.37 -22.92 58.97 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 119.343 -2.098 . . . . 0.0 113.245 169.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -94.36 -44.41 7.94 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.709 2.004 . . . . 0.0 113.493 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -40.36 136.45 1.26 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 128.65 30.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.515 1.126 . . . . 0.0 113.518 172.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 22.0 tp -110.35 125.28 53.03 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 148.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -70.96 -18.94 62.6 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 176.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 . . . . . 0 N--CA 1.467 0.411 0 C-N-CA 126.173 1.789 . . . . 0.0 113.241 170.498 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.6 mt . . . . . 0 CA--C 1.543 0.679 0 CA-C-O 121.092 0.472 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.7 t -98.6 176.21 5.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.498 1.919 . . . . 0.0 112.537 170.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.26 -67.18 0.18 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -166.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.2 p -64.13 -49.78 70.83 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -173.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pm0 -63.51 -41.08 98.52 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.64 -1.288 . . . . 0.0 111.979 175.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.3 t -54.71 -49.22 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 121.052 -1.03 . . . . 0.0 110.49 174.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.1 81.91 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.738 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.254 21.6 t -73.78 -36.61 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 O-C-N 121.245 -0.909 . . . . 0.0 112.363 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.8 -45.52 59.31 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.4 1.48 . . . . 0.0 113.345 165.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -66.06 -53.09 42.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.6 mt -51.64 -41.02 61.01 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.737 -0.602 . . . . 0.0 111.969 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -51.2 -52.56 43.25 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.163 1.347 . . . . 0.0 112.875 172.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -80.29 -30.25 38.27 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.37 -9.76 3.95 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.133 -1.604 . . . . 0.0 112.686 156.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.64 -2.34 23.53 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.936 1.695 . . . . 0.0 115.147 166.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 56.23 69.4 0.74 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.416 2.687 . . . . 0.0 113.796 -168.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.3 mt -141.54 112.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.019 1.728 . . . . 0.0 109.101 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -72.64 146.64 46.44 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 117.394 -1.722 . . . . 0.0 109.951 166.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.0 mm -99.14 127.29 35.26 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 124.563 1.145 . . . . 0.0 109.327 171.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -71.03 131.96 20.41 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.042 1.828 . . . . 0.0 109.973 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.9 m -32.45 -49.3 0.2 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.5 1.92 . . . . 0.0 114.714 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.82 -47.09 2.85 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.5 mm -54.34 -52.29 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 O-C-N 121.372 -0.83 . . . . 0.0 110.75 173.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.62 -50.65 79.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 110.261 -176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.86 -53.92 5.68 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.292 1.437 . . . . 0.0 112.358 171.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -65.75 -65.16 0.71 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 122.123 0.963 . . . . 0.0 110.075 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.46 -49.77 63.99 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.141 1.376 . . . . 0.0 113.398 -171.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.17 -41.19 41.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 121.553 -0.717 . . . . 0.0 111.632 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -51.56 47.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.984 1.714 . . . . 0.0 112.797 173.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -52.11 -39.52 59.96 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.718 0.807 . . . . 0.0 112.727 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 61.28 50.83 4.57 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 169.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.4 mt -68.3 160.58 29.11 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.973 170.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -84.56 -59.6 2.32 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.093 -1.005 . . . . 0.0 111.16 -162.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 p -111.42 166.09 11.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.62 -34.71 27.15 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.363 1.865 . . . . 0.0 111.766 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -60.91 -45.72 93.51 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.153 -0.967 . . . . 0.0 112.394 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -73.13 -43.35 61.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.129 -0.357 . . . . 0.0 110.609 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.46 -41.01 91.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.27 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.305 1.4 pp -63.78 -41.57 97.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.534 1.515 . . . . 0.0 111.648 175.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -53.69 -57.08 12.11 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.281 -1.512 . . . . 0.0 112.216 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -65.95 -52.75 46.96 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.923 -0.485 . . . . 0.0 112.083 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.81 -53.16 14.59 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 121.149 -0.969 . . . . 0.0 110.593 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -57.02 -37.47 71.76 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.452 -1.405 . . . . 0.0 112.23 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 m -60.38 -59.68 5.02 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.375 0.67 . . . . 0.0 112.001 170.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.16 -34.73 76.97 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.124 -0.985 . . . . 0.0 113.032 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -57.59 -46.75 83.63 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.226 -1.546 . . . . 0.0 110.163 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.263 66.0 m -60.71 -43.51 97.72 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.696 -1.252 . . . . 0.0 114.006 176.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -48.73 -58.44 4.77 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.523 0.601 . . . . 0.0 110.923 160.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -52.32 -43.64 64.65 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.27 18.6 pttm -59.16 -48.53 81.26 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 118.597 -1.241 . . . . 0.0 112.608 171.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.07 -42.96 99.79 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.655 1.116 . . . . 0.0 112.823 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -54.77 -47.94 73.27 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.55 -1.344 . . . . 0.0 111.485 173.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -71.6 -13.07 61.66 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.489 -1.382 . . . . 0.0 114.609 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -76.64 -34.25 58.31 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.058 1.343 . . . . 0.0 112.251 172.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -55.49 129.03 37.21 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 121.188 -0.945 . . . . 0.0 113.394 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 140.36 39.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.02 2.128 . . . . 0.0 114.267 174.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.56 135.15 47.49 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.919 0.888 . . . . 0.0 108.613 148.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -73.39 -0.24 14.21 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 174.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 125.963 1.705 . . . . 0.0 114.139 177.09 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 CA--C 1.549 0.911 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 17.9 t -79.73 -179.46 6.92 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.478 1.511 . . . . 0.0 111.586 165.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.92 -58.7 6.53 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -166.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.7 p -63.18 -50.63 69.58 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -172.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 pm0 -63.24 -37.48 87.39 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.693 -1.254 . . . . 0.0 111.798 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.13 -44.84 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.308 -0.87 . . . . 0.0 111.41 174.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.17 92.01 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 122.396 1.093 . . . . 0.0 111.212 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . 0.252 11.9 t -74.73 -28.65 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 120.707 -1.246 . . . . 0.0 112.25 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -37.4 62.75 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.556 -1.34 . . . . 0.0 112.605 168.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -69.31 -52.54 26.33 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 72.3 mt -49.98 -42.67 49.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.703 -1.248 . . . . 0.0 111.935 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -55.28 -57.5 11.54 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.627 -1.295 . . . . 0.0 113.391 172.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -77.71 -31.92 52.64 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 120.128 1.331 . . . . 0.0 113.69 -171.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -48.09 -45.59 32.83 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.949 1.357 . . . . 0.0 111.203 158.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.3 t -75.39 -5.78 46.65 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.326 1.05 . . . . 0.0 113.528 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 57.28 57.3 4.55 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.86 2.464 . . . . 0.0 112.648 -167.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 85.5 mt -115.98 100.85 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 124.243 1.017 . . . . 0.0 111.231 169.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.96 75.14 4.5 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.471 0.653 . . . . 0.0 109.963 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 30.4 mm -37.83 127.97 0.95 Allowed Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 126.008 1.723 . . . . 0.0 113.425 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -53.27 145.21 45.42 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.282 2.655 . . . . 0.0 112.707 168.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -51.38 -44.81 62.25 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.838 -0.539 . . . . 0.0 111.068 166.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -56.02 -41.92 75.67 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.031 1.333 . . . . 0.0 112.823 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 20.2 mm -54.38 -53.18 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 120.513 -1.367 . . . . 0.0 111.398 169.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.28 -47.98 90.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.715 0.806 . . . . 0.0 110.322 -176.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -47.38 -59.23 3.35 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.427 1.491 . . . . 0.0 112.059 170.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -54.79 -53.67 52.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.576 1.15 . . . . 0.0 110.547 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -51.17 69.13 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.315 -0.866 . . . . 0.0 112.919 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 67.2 t -56.28 -38.62 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.968 1.307 . . . . 0.0 111.877 174.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.57 -59.28 5.45 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.288 -0.882 . . . . 0.0 111.781 170.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -61.68 -64.59 0.89 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.811 -1.18 . . . . 0.0 112.266 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 69.94 84.19 0.15 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.552 2.341 . . . . 0.0 114.039 -172.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.51 164.56 23.81 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.813 0.845 . . . . 0.0 111.07 169.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -80.01 -61.57 1.95 Allowed 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.649 -1.282 . . . . 0.0 110.067 -162.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 20.3 p -105.72 166.08 10.71 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -173.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -48.63 -42.25 33.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.747 2.419 . . . . 0.0 111.846 171.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.91 -47.08 87.25 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.34 -0.85 . . . . 0.0 112.052 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.29 -44.77 78.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.528 -0.733 . . . . 0.0 111.312 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.1 m -65.76 -40.53 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.171 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.283 1.3 pp -62.86 -36.76 84.35 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.405 1.457 . . . . 0.0 112.722 174.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -59.78 -60.2 4.21 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.132 0.878 . . . . 0.0 111.601 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -59.02 -51.42 70.15 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.064 0.546 . . . . 0.0 111.557 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.1 mt -54.29 -54.26 22.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.359 -0.838 . . . . 0.0 111.494 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.2 -37.72 72.6 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.482 -1.386 . . . . 0.0 112.669 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.0 m -59.88 -57.63 12.05 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.735 -0.603 . . . . 0.0 111.629 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.76 -36.72 79.64 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.995 -1.065 . . . . 0.0 113.165 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -56.8 -45.76 82.02 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.046 -1.659 . . . . 0.0 110.988 167.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.281 99.6 m -61.32 -46.88 88.45 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.561 -1.337 . . . . 0.0 113.72 176.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -46.77 -60.48 2.38 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.379 0.536 . . . . 0.0 111.259 161.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -49.94 -44.87 50.77 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.294 18.8 pttm -61.08 -41.6 96.95 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.128 -1.608 . . . . 0.0 112.968 172.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.5 -47.2 84.91 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.71 1.141 . . . . 0.0 112.37 171.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -52.86 -48.33 67.15 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.48 -1.387 . . . . 0.0 111.879 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -76.72 -11.56 59.86 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -84.82 -43.25 14.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.373 1.869 . . . . 0.0 111.597 167.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -52.96 145.88 12.01 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -171.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 119.87 5.33 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 129.911 3.284 . . . . 0.0 113.614 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.1 tp -118.65 121.73 40.85 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 150.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.72 18.55 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.771 0 C-N-CA 126.839 2.055 . . . . 0.0 114.11 -173.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 CA--C 1.536 0.408 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.14 173.69 2.98 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.242 0.617 . . . . 0.0 111.113 167.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.41 72.88 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -165.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.0 p -61.4 -53.34 57.86 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.468 -0.77 . . . . 0.0 112.842 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -63.53 -38.43 91.09 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.163 -1.586 . . . . 0.0 112.834 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -44.81 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 O-C-N 120.912 -1.117 . . . . 0.0 111.356 176.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.83 87.56 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 122.032 0.92 . . . . 0.0 110.962 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.86 -27.7 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 121.234 -0.916 . . . . 0.0 111.584 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.43 -30.22 63.08 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.915 -1.115 . . . . 0.0 112.731 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.86 -50.85 72.47 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 166.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.29 -41.75 72.72 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.009 -1.057 . . . . 0.0 111.683 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -51.85 -61.71 2.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.066 1.303 . . . . 0.0 113.353 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -72.55 -37.89 68.12 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.13 1.332 . . . . 0.0 112.401 -171.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.12 -33.11 70.48 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.504 -1.373 . . . . 0.0 112.222 167.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 p -75.96 -15.69 60.12 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.02 -1.675 . . . . 0.0 113.798 169.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 66.15 59.09 0.69 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 129.401 3.081 . . . . 0.0 113.23 -167.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.8 mt -119.13 118.5 57.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 125.885 1.674 . . . . 0.0 109.878 164.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.7 ttp85 -80.18 150.16 30.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.849 0.833 . . . . 0.0 110.723 165.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.0 mm -109.44 129.05 24.36 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.096 1.758 . . . . 0.0 109.937 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.55 138.12 73.64 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.465 2.11 . . . . 0.0 111.114 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.7 m -50.73 -34.46 27.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.167 0.987 . . . . 0.0 112.666 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.8 -44.95 63.69 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.209 -0.932 . . . . 0.0 113.495 172.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 mm -55.87 -48.91 77.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 O-C-N 120.88 -1.137 . . . . 0.0 110.109 173.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.37 -46.46 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -175.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -45.93 -58.93 3.14 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.576 1.15 . . . . 0.0 112.413 169.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -63.38 -59.49 4.62 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.685 0.755 . . . . 0.0 109.993 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -43.59 66.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.217 1.007 . . . . 0.0 112.955 -175.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.2 t -48.63 -49.37 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 O-C-N 120.992 -1.068 . . . . 0.0 111.766 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -64.28 -50.8 66.49 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.911 1.285 . . . . 0.0 112.693 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -72.74 72.76 1.07 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 127.216 2.206 . . . . 0.0 109.675 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -70.2 72.42 0.45 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -170.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.21 163.69 12.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.502 1.921 . . . . 0.0 110.733 164.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -88.47 -65.46 1.02 Allowed 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.474 -0.766 . . . . 0.0 111.267 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.7 p -104.16 162.88 12.8 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -165.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.64 -42.26 11.19 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.996 2.118 . . . . 0.0 110.916 169.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -60.37 -46.26 90.59 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 121.297 -0.877 . . . . 0.0 111.994 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -68.09 -48.61 65.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.734 -0.604 . . . . 0.0 111.393 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 m -64.32 -38.09 81.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.8 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.256 1.2 pp -65.19 -36.97 85.85 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 118.218 -1.393 . . . . 0.0 111.852 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.53 -58.66 7.65 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 120.805 -1.184 . . . . 0.0 111.424 174.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -61.15 -51.69 68.0 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.214 0.605 . . . . 0.0 111.651 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.1 mt -53.3 -55.43 12.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 O-C-N 121.465 -0.772 . . . . 0.0 110.938 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.19 -34.79 64.19 Favored 'General case' 0 CA--C 1.554 1.113 0 O-C-N 120.968 -1.083 . . . . 0.0 112.035 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.9 m -65.61 -59.23 4.16 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.742 0.817 . . . . 0.0 113.173 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.09 -37.36 79.73 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.57 -1.331 . . . . 0.0 112.173 178.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 63.3 ttt-85 -57.06 -34.87 68.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.251 -1.531 . . . . 0.0 111.426 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.275 88.9 m -72.25 -35.83 68.91 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 119.988 -1.695 . . . . 0.0 114.337 169.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.02 -59.02 4.29 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.93 1.241 . . . . 0.0 110.67 159.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -52.95 -41.82 64.88 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -56.36 -55.02 38.65 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.734 -1.229 . . . . 0.0 112.17 173.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.26 -34.62 78.42 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.37 -63.64 1.1 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.689 -1.257 . . . . 0.0 110.32 168.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -62.04 -10.8 10.96 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -68.66 -44.48 74.01 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.137 1.375 . . . . 0.0 112.186 165.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -62.24 135.51 57.51 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.028 0.931 . . . . 0.0 111.998 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -112.03 129.8 56.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.024 1.73 . . . . 0.0 111.527 -171.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.65 101.5 5.0 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.969 -1.082 . . . . 0.0 109.595 170.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -75.75 43.51 0.26 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.234 1.413 . . . . 0.0 112.195 -176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 127.162 2.185 . . . . 0.0 115.814 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 122.272 1.034 . . . . 0.0 112.996 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.3 p -80.5 -179.95 7.43 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.203 -0.935 . . . . 0.0 112.374 166.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.39 -55.73 17.0 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -167.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -65.34 -50.92 63.77 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.428 -0.795 . . . . 0.0 113.072 -173.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -62.67 -38.02 88.71 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.864 1.211 . . . . 0.0 112.07 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.7 -48.77 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 121.295 -0.878 . . . . 0.0 111.47 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.29 -42.18 81.25 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 122.312 1.053 . . . . 0.0 111.403 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 13.4 t -73.58 -35.64 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 O-C-N 121.509 -0.744 . . . . 0.0 112.083 175.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.12 -34.96 72.65 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 172.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.04 -61.65 2.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 27.7 mt -55.95 -31.47 62.97 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -56.29 -57.08 13.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.459 1.027 . . . . 0.0 111.769 168.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.34 -28.09 61.87 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.997 0.817 . . . . 0.0 112.659 -176.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -58.49 -37.79 76.28 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.401 -1.437 . . . . 0.0 111.434 161.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 38.2 m -77.99 4.57 11.85 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.785 -1.197 . . . . 0.0 113.361 168.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m120 48.17 55.59 8.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.886 2.074 . . . . 0.0 112.295 -170.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 42.3 mt -118.46 98.88 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.202 1.801 . . . . 0.0 111.404 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.03 114.46 9.11 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.72 -0.612 . . . . 0.0 109.782 176.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 47.0 mm -78.94 122.37 84.48 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 120.889 -1.132 . . . . 0.0 111.079 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.94 141.5 66.97 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.081 2.521 . . . . 0.0 112.13 170.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -48.45 -48.63 37.37 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.046 0.938 . . . . 0.0 112.48 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.11 -49.89 6.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.956 1.302 . . . . 0.0 113.888 171.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.11 -47.53 83.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 O-C-N 120.756 -1.215 . . . . 0.0 110.684 174.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 31.4 mt -59.93 -44.91 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 121.49 -0.756 . . . . 0.0 110.599 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -54.36 -60.59 3.14 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.025 1.33 . . . . 0.0 112.352 173.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -53.85 -53.22 55.52 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.415 1.486 . . . . 0.0 110.411 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -45.64 92.45 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.96 -1.087 . . . . 0.0 112.479 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.82 -30.64 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 O-C-N 120.677 -1.265 . . . . 0.0 112.6 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.33 -52.61 38.2 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.999 -1.063 . . . . 0.0 113.096 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -71.99 -38.92 69.58 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.248 -0.907 . . . . 0.0 113.073 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 27.31 84.7 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.848 2.859 . . . . 0.0 113.567 -170.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 mt -72.22 168.82 17.46 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.325 1.05 . . . . 0.0 110.773 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.07 -65.92 0.89 Allowed 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.808 -1.183 . . . . 0.0 110.177 -170.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.3 t -84.86 152.16 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -42.45 -41.79 3.04 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.8 0.81 . . . . 0.0 112.152 158.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -59.58 -45.88 90.57 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.295 -0.878 . . . . 0.0 111.583 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.38 -48.38 67.56 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.523 -0.735 . . . . 0.0 110.817 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 10.8 m -64.37 -39.27 84.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.967 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.2 pp -66.79 -39.63 87.85 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.131 1.332 . . . . 0.0 111.889 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -57.5 -57.83 10.98 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.735 0.698 . . . . 0.0 110.868 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -59.85 -52.32 65.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.493 0.717 . . . . 0.0 111.846 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.9 mt -53.52 -54.18 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 121.285 -0.885 . . . . 0.0 110.97 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.52 -37.39 70.39 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.671 -1.268 . . . . 0.0 112.019 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 55.4 m -62.15 -56.49 18.23 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.545 -0.722 . . . . 0.0 112.434 172.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.97 -34.92 78.53 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.822 -1.174 . . . . 0.0 112.771 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -59.51 -41.73 90.58 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.655 -1.903 . . . . 0.0 111.238 166.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.279 99.9 m -60.13 -44.08 95.2 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.367 -1.458 . . . . 0.0 114.144 171.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -48.63 -54.45 14.6 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.899 0.772 . . . . 0.0 111.137 162.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -53.68 -49.67 67.51 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.301 18.5 pttm -56.19 -36.47 68.43 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 121.207 1.822 . . . . 0.0 113.357 174.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.41 -49.87 67.61 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.455 1.025 . . . . 0.0 112.611 172.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.425 ' CD ' ' HZ1' ' B' ' 122' ' ' LYS . 56.1 mm-40 -52.37 -40.62 62.25 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.152 -1.592 . . . . 0.0 112.535 171.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.13 -11.83 60.42 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.834 1.254 . . . . 0.0 113.237 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -94.28 -49.33 5.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.64 1.976 . . . . 0.0 111.794 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . 0.425 ' HZ1' ' CD ' ' B' ' 119' ' ' GLU . 45.7 mtmt -40.35 145.76 0.16 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 -170.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 115.78 1.9 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.462 2.305 . . . . 0.0 114.34 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.51 128.39 52.43 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.106 0.866 . . . . 0.0 109.239 148.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -2.21 18.15 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.787 1.235 . . . . 0.0 113.877 172.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 126.652 1.981 . . . . 0.0 114.606 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 CA--C 1.541 0.623 0 CA-C-O 122.443 1.116 . . . . 0.0 113.408 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -83.38 176.97 8.7 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.857 0.863 . . . . 0.0 112.467 166.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.82 -57.06 3.46 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.955 1.302 . . . . 0.0 114.328 -171.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.6 p -57.61 -61.92 2.16 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 pm0 -63.11 -30.84 71.91 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.365 -1.459 . . . . 0.0 112.778 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.42 -46.86 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 121.02 -1.05 . . . . 0.0 111.43 172.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.0 86.17 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 123.09 1.424 . . . . 0.0 111.394 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.11 -36.35 76.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 119.839 -1.788 . . . . 0.0 112.017 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.56 -30.36 67.08 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 167.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -47.07 71.93 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.675 -0.641 . . . . 0.0 110.095 176.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.6 -38.16 90.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.539 -0.725 . . . . 0.0 110.373 174.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -57.07 -59.12 5.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.096 -0.954 . . . . 0.0 113.568 171.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -69.42 -28.54 66.22 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 120.585 1.539 . . . . 0.0 112.416 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.01 -45.76 68.08 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.868 -1.145 . . . . 0.0 111.385 162.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 p -81.51 5.28 18.36 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 173.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 35.65 65.72 0.39 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.747 2.019 . . . . 0.0 114.355 -159.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.406 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 11.3 mt -110.45 107.2 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 120.635 -1.291 . . . . 0.0 112.295 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -82.45 140.01 33.65 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.766 -1.209 . . . . 0.0 110.996 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.5 mm -108.51 123.52 37.09 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.733 1.213 . . . . 0.0 110.683 -173.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.51 146.15 54.34 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.771 2.314 . . . . 0.0 112.087 169.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.9 p -53.77 -54.25 40.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.003 0.82 . . . . 0.0 112.085 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -32.63 -54.5 0.35 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.447 1.899 . . . . 0.0 114.211 172.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 43.1 mm -49.47 -55.93 3.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 O-C-N 121.514 -0.741 . . . . 0.0 110.49 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.88 -46.63 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 O-C-N 121.428 -0.795 . . . . 0.0 111.861 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -48.21 -54.67 12.69 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.735 2.014 . . . . 0.0 111.801 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.52 -58.08 6.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.482 -0.761 . . . . 0.0 111.192 170.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -59.53 -41.34 89.78 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -163.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.7 t -46.97 -47.99 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.22 -0.925 . . . . 0.0 112.802 166.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -46.29 82.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.144 0.978 . . . . 0.0 111.673 174.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -60.6 -44.52 96.18 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.344 -0.848 . . . . 0.0 113.114 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 39.55 71.08 0.19 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.677 1.591 . . . . 0.0 111.947 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.53 166.06 7.19 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.396 -0.815 . . . . 0.0 112.005 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -81.46 -13.6 58.0 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -154.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -146.06 166.14 26.99 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.614 1.197 . . . . 0.0 113.202 169.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.09 -51.12 45.37 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.755 1.622 . . . . 0.0 111.182 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -57.26 -40.41 77.6 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.481 1.112 . . . . 0.0 111.794 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.95 -48.08 75.33 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.223 -0.923 . . . . 0.0 111.878 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . 0.278 23.2 m -62.36 -39.61 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.135 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.371 3.7 pp -66.43 -35.25 79.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 118.221 -1.391 . . . . 0.0 113.861 174.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -59.61 -57.02 14.75 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.955 -1.091 . . . . 0.0 111.597 172.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -54.53 -55.59 27.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.044 0.937 . . . . 0.0 111.781 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.4 mt -57.28 -51.81 64.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.196 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -49.05 -46.74 44.83 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.715 1.598 . . . . 0.0 111.776 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -57.86 -54.06 51.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.676 -0.64 . . . . 0.0 111.967 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -63.49 -34.86 78.7 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.035 -1.041 . . . . 0.0 113.556 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.406 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 40.5 mtp180 -54.63 -40.66 69.17 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 119.838 -1.789 . . . . 0.0 110.661 166.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.273 51.0 m -67.14 -36.65 82.31 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 171.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -51.11 -54.03 28.78 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 120.448 1.476 . . . . 0.0 111.287 163.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -56.57 -42.36 78.49 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.852 -1.155 . . . . 0.0 113.239 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -50.03 -49.21 51.75 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.615 -1.303 . . . . 0.0 110.651 170.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.89 -49.92 75.82 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 173.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -50.85 -38.5 49.44 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.329 -1.482 . . . . 0.0 112.424 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -75.97 -10.9 59.8 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.231 1.412 . . . . 0.0 113.444 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -103.19 -38.82 7.11 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.462 2.305 . . . . 0.0 112.528 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -43.89 148.52 0.38 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.955 1.302 . . . . 0.0 114.415 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 127.24 32.28 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.087 1.355 . . . . 0.0 113.908 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.5 tp -96.25 115.54 27.59 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.349 0.977 . . . . 0.0 108.455 149.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.39 31.78 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 127.216 2.206 . . . . 0.0 115.63 -179.719 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.8 t -88.17 -172.04 3.63 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.787 1.235 . . . . 0.0 112.545 163.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.33 -66.59 0.36 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -165.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 2.9 p -57.61 -49.61 75.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -64.7 -39.67 94.05 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.267 -0.896 . . . . 0.0 111.784 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.13 -47.82 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 120.915 -1.116 . . . . 0.0 111.42 172.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.97 74.03 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.255 1.026 . . . . 0.0 111.605 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.23 -38.0 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 121.651 -0.655 . . . . 0.0 112.732 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.31 -43.75 67.84 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.888 -1.132 . . . . 0.0 112.946 164.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.57 -50.17 68.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -48.1 -46.74 34.32 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.204 -0.935 . . . . 0.0 112.887 172.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -49.33 -52.55 27.28 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.624 -1.298 . . . . 0.0 112.554 172.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.278 5.6 mm-40 -76.69 -26.37 54.68 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -53.28 -37.01 61.79 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.852 -1.78 . . . . 0.0 110.636 158.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 -1.55 54.56 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 172.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 42.69 77.42 0.06 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.396 2.678 . . . . 0.0 115.469 -157.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 23.7 mt -131.66 115.43 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 125.813 1.645 . . . . 0.0 110.417 170.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -75.2 144.64 42.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 119.011 -1.075 . . . . 0.0 111.229 164.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.41 126.65 28.46 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 125.651 1.58 . . . . 0.0 109.106 172.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -55.18 126.41 22.45 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.44 2.094 . . . . 0.0 112.249 169.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -31.98 -60.28 0.26 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.766 2.026 . . . . 0.0 113.806 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -29.72 -61.28 0.15 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.523 1.929 . . . . 0.0 114.783 172.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 pt -70.25 -29.29 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 120.894 -1.129 . . . . 0.0 113.529 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 20.5 mt -58.05 -46.84 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 119.827 1.194 . . . . 0.0 109.786 167.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.87 -58.98 5.76 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.095 0.558 . . . . 0.0 110.913 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.1 -48.03 64.97 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.09 -1.006 . . . . 0.0 110.752 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -50.0 72.57 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.72 -0.612 . . . . 0.0 111.712 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 46.0 t -53.62 -43.08 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.559 0.744 . . . . 0.0 112.231 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -59.46 -66.27 0.54 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.746 0.703 . . . . 0.0 111.543 171.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -86.0 51.4 2.2 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.041 -1.037 . . . . 0.0 112.494 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -70.2 132.85 46.4 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 120.993 -1.067 . . . . 0.0 113.056 -172.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 30.1 mt -87.71 -173.64 4.41 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.261 1.424 . . . . 0.0 111.809 -174.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.81 -44.48 15.46 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.659 -1.276 . . . . 0.0 112.533 -170.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -144.79 164.58 30.6 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -37.13 -47.39 0.76 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.883 2.473 . . . . 0.0 113.65 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -59.29 -46.93 87.22 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.423 -0.798 . . . . 0.0 112.053 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.63 -47.19 73.38 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.082 0.553 . . . . 0.0 110.644 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.78 -38.35 82.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.19 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.27 0.9 OUTLIER -67.06 -35.43 79.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.567 1.53 . . . . 0.0 112.72 174.826 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.77 -56.62 19.1 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 122.488 1.137 . . . . 0.0 110.656 173.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -62.72 -47.24 84.43 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.769 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.22 -48.07 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 O-C-N 120.959 -1.088 . . . . 0.0 112.343 176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -53.56 -38.84 64.24 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.516 -1.365 . . . . 0.0 111.721 173.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 8.0 m -62.67 -56.53 16.84 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.402 -0.811 . . . . 0.0 112.768 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -50.44 -52.61 36.36 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.004 1.721 . . . . 0.0 112.964 175.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -64.87 -21.36 66.79 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 119.297 -2.127 . . . . 0.0 111.909 174.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.333 95.0 m -71.36 -38.26 71.59 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 119.846 -1.784 . . . . 0.0 114.194 164.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -51.14 -62.23 1.74 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.798 1.181 . . . . 0.0 111.329 159.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -56.46 -35.23 67.69 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.011 -1.055 . . . . 0.0 113.661 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -56.5 -51.71 67.49 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.645 -1.285 . . . . 0.0 111.684 171.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.57 -41.88 92.43 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.801 0.81 . . . . 0.0 112.278 177.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -51.13 -51.36 54.25 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.187 -1.571 . . . . 0.0 111.006 170.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -77.93 10.68 2.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.128 1.771 . . . . 0.0 113.811 174.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -97.51 -33.55 11.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.15 1.78 . . . . 0.0 111.342 166.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -53.19 129.69 32.1 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 118.561 0.619 . . . . 0.0 110.774 167.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -116.92 132.97 56.57 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.258 1.823 . . . . 0.0 111.182 -168.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.03 98.73 7.34 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.017 -1.052 . . . . 0.0 109.66 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -72.22 7.26 1.79 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.212 -1.555 . . . . 0.0 113.94 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 126.235 1.814 . . . . 0.0 113.468 172.618 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.8 m -66.22 165.68 13.37 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.156 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.22 -56.52 1.19 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -174.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.22 -55.99 27.83 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -66.95 -36.55 82.47 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 119.632 -1.917 . . . . 0.0 112.798 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -35.98 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 O-C-N 120.45 -1.406 . . . . 0.0 111.816 174.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.6 -35.98 62.98 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.354 1.062 . . . . 0.0 112.171 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -40.48 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 118.958 -2.339 . . . . 0.0 110.066 172.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.1 mt -52.62 -23.29 6.24 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 168.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -41.73 39.84 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.795 -1.191 . . . . 0.0 110.677 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.1 mt -53.24 -41.69 65.68 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 119.879 -1.763 . . . . 0.0 110.372 169.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -57.86 -60.24 4.01 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.177 -0.952 . . . . 0.0 112.952 172.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -85.53 -27.56 25.5 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -54.53 -20.29 7.54 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 119.863 -1.773 . . . . 0.0 111.76 158.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.46 -4.27 25.66 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.382 -1.449 . . . . 0.0 113.607 171.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 39.49 67.95 0.41 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.77 2.028 . . . . 0.0 115.234 -158.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.9 mt -99.44 117.44 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.39 0.676 . . . . 0.0 111.224 150.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -66.57 136.92 56.33 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 164.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 mm -105.94 125.62 32.7 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.839 1.255 . . . . 0.0 110.182 175.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.34 131.48 45.06 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.975 1.783 . . . . 0.0 110.996 172.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.7 m -43.95 -42.13 5.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.182 1.393 . . . . 0.0 112.176 173.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.04 -45.88 52.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 172.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 mm -52.26 -48.68 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 121.023 -1.048 . . . . 0.0 110.017 171.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.2 mt -66.09 -43.98 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 121.989 -0.444 . . . . 0.0 110.355 -174.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -54.75 -52.76 61.52 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.637 0.653 . . . . 0.0 111.991 171.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -59.14 -47.86 83.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.439 1.096 . . . . 0.0 111.146 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -40.59 98.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 120.258 -1.526 . . . . 0.0 112.125 177.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.69 24.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 124.243 1.017 . . . . 0.0 111.912 167.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -125.29 -53.85 1.6 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.693 2.397 . . . . 0.0 110.211 159.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -78.65 62.41 3.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.612 1.165 . . . . 0.0 109.615 173.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -73.78 81.98 1.61 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -166.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.09 170.97 3.21 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.516 1.527 . . . . 0.0 112.597 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -87.22 -64.15 1.19 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.22 -0.925 . . . . 0.0 111.944 -171.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.6 p -105.26 159.67 15.7 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -168.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -45.78 -40.91 10.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.228 1.011 . . . . 0.0 113.358 172.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -48.33 82.04 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.857 0.837 . . . . 0.0 110.891 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.14 -50.26 72.58 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.064 -1.023 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.4 m -61.6 -39.5 83.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 119.984 -0.687 . . . . 0.0 110.562 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.302 1.3 pp -64.63 -37.01 86.11 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.548 -1.345 . . . . 0.0 113.438 174.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -58.33 -55.03 40.32 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.777 1.171 . . . . 0.0 110.569 173.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -57.81 -50.49 73.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.847 0.859 . . . . 0.0 112.341 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.92 -50.95 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.306 -0.872 . . . . 0.0 111.224 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.67 70.15 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.42 -1.425 . . . . 0.0 112.451 177.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.3 m -62.09 -61.15 2.68 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 112.263 172.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.22 -34.51 73.75 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.777 -1.202 . . . . 0.0 112.922 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -59.41 -42.29 91.47 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 119.903 -1.748 . . . . 0.0 111.59 168.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.293 85.5 m -60.07 -44.44 94.74 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.558 -1.339 . . . . 0.0 113.252 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -48.73 -60.48 2.69 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 118.99 -0.528 . . . . 0.0 111.558 160.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -51.18 -43.61 61.35 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.257 18.3 pttm -59.66 -45.97 90.43 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.217 -1.552 . . . . 0.0 112.614 172.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.45 -41.34 98.67 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.485 1.039 . . . . 0.0 112.316 175.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -53.92 -47.94 70.69 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.301 -1.499 . . . . 0.0 111.259 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -76.24 0.36 19.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -93.1 -32.19 14.53 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.17 1.788 . . . . 0.0 112.009 171.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -52.92 137.17 33.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.81 134.8 56.59 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 128.526 2.73 . . . . 0.0 115.464 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.97 111.93 21.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.112 0.965 . . . . 0.0 109.525 157.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -60.49 -46.07 91.44 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -177.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 . . . . . 0 N--CA 1.471 0.624 0 C-N-CA 125.771 1.628 . . . . 0.0 113.679 -174.129 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 CA--C 1.54 0.561 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 42.0 p -93.59 -177.09 4.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.012 1.725 . . . . 0.0 111.015 168.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.05 -66.05 0.32 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -170.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.1 p -59.21 -51.69 68.91 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.65 -51.68 62.38 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.71 1.141 . . . . 0.0 111.528 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 74.4 t -58.24 -39.96 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.624 0.769 . . . . 0.0 111.886 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.77 96.04 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.927 0.87 . . . . 0.0 111.553 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.46 -33.35 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 O-C-N 120.984 -1.072 . . . . 0.0 112.441 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.47 -41.88 3.09 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.12 1.368 . . . . 0.0 113.083 161.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.94 -50.32 35.9 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.867 -0.521 . . . . 0.0 110.301 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 95.2 mt -49.82 -37.72 31.67 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.902 -1.124 . . . . 0.0 111.76 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -57.84 -60.71 3.28 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 120.555 -1.341 . . . . 0.0 113.078 169.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -81.91 -35.52 29.07 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 121.534 1.97 . . . . 0.0 114.356 -170.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -59.59 -21.88 60.98 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.221 -1.549 . . . . 0.0 112.301 163.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 18.3 t -75.66 -51.3 13.1 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 119.809 -1.807 . . . . 0.0 112.576 160.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 129.2 31.74 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.769 1 C-N-CA 132.097 4.159 . . . . 0.0 114.147 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.76 117.64 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.213 1.805 . . . . 0.0 113.573 -176.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -79.33 118.03 20.87 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.722 0.773 . . . . 0.0 110.972 168.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.89 110.89 36.35 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.682 1.593 . . . . 0.0 110.043 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -65.5 149.15 88.04 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 121.091 1.194 . . . . 0.0 110.913 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 76.0 p -59.72 -32.94 71.01 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -168.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.39 -46.92 26.42 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.818 0.847 . . . . 0.0 113.119 167.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.94 -49.57 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 O-C-N 120.93 -1.106 . . . . 0.0 109.806 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.2 mt -61.83 -40.63 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.893 0.877 . . . . 0.0 110.209 -174.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.25 -69.95 0.14 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.661 0.785 . . . . 0.0 111.923 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.47 -35.74 60.89 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.418 1.487 . . . . 0.0 111.046 -173.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -67.46 0.43 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.171 1.388 . . . . 0.0 111.602 170.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.17 -30.43 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 O-C-N 121.013 -1.055 . . . . 0.0 113.677 -160.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 33.0 p30 -56.24 -42.79 77.9 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.34 -8.09 54.38 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 173.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 58.51 71.49 0.58 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 168.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.57 164.27 23.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.004 0.922 . . . . 0.0 111.914 167.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -114.3 -38.53 4.07 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -170.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 34.1 t -107.51 145.06 33.61 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -43.16 -40.01 3.1 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.924 1.69 . . . . 0.0 111.969 164.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.01 -46.54 87.17 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.063 -1.023 . . . . 0.0 112.403 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.33 -44.72 90.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.213 -0.929 . . . . 0.0 110.897 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 m -66.43 -42.75 90.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.076 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.267 2.9 pp -62.66 -38.98 92.45 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.501 1.5 . . . . 0.0 112.386 176.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -62.29 -58.02 9.25 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.861 0.838 . . . . 0.0 110.867 176.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -53.9 -56.12 20.66 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.056 0.942 . . . . 0.0 111.332 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 85.2 mt -53.81 -53.94 23.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 C-N-CA 123.333 0.653 . . . . 0.0 110.707 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.49 -37.54 73.12 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.722 -1.236 . . . . 0.0 112.559 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.5 m -60.53 -57.74 11.45 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.431 -0.793 . . . . 0.0 111.947 170.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -56.49 -39.87 74.0 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.142 1.777 . . . . 0.0 112.679 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -55.85 -42.18 75.42 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 119.895 -1.753 . . . . 0.0 111.31 167.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.4 m -71.4 -43.64 66.42 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.269 -1.519 . . . . 0.0 113.975 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -47.05 -52.57 14.71 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.704 0.684 . . . . 0.0 111.117 160.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -57.71 -39.0 76.21 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -54.73 -52.47 62.4 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.844 -1.16 . . . . 0.0 110.607 168.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.4 mt -55.68 -50.54 69.99 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -52.52 -45.41 66.27 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.052 -1.655 . . . . 0.0 112.448 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -72.62 -14.91 61.71 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 119.91 -1.744 . . . . 0.0 114.517 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -85.18 -35.08 21.91 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.461 1.905 . . . . 0.0 112.124 171.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -48.39 129.27 15.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.9 0.88 . . . . 0.0 112.923 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.23 150.53 0.13 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.719 2.008 . . . . 0.0 114.08 167.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.4 tt -134.17 117.76 16.89 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 153.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -69.45 15.12 0.08 Allowed 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -176.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 126.694 1.998 . . . . 0.0 116.179 175.333 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 p -82.49 -179.27 7.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.243 1.017 . . . . 0.0 111.001 168.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.7 29.7 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -160.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.7 p -59.7 -55.0 39.87 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.041 -1.037 . . . . 0.0 113.546 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 pm0 -65.24 -37.58 87.69 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.483 -1.385 . . . . 0.0 112.122 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -42.84 97.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.168 -0.957 . . . . 0.0 111.515 174.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.05 93.47 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.071 0.939 . . . . 0.0 112.28 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.61 -30.08 47.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 120.964 -1.085 . . . . 0.0 111.011 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.432 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 8.2 tp -75.2 -30.22 60.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.791 1.236 . . . . 0.0 112.417 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.02 -48.63 78.03 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.128 -0.983 . . . . 0.0 109.023 164.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.34 -38.17 76.61 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.714 -1.241 . . . . 0.0 113.167 174.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 76' ' ' LEU . 19.4 m-85 -53.82 -46.78 71.25 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.106 -1.621 . . . . 0.0 113.13 167.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.47 -38.76 62.83 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 120.071 1.305 . . . . 0.0 112.858 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -48.31 -42.89 32.32 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.021 -1.049 . . . . 0.0 110.881 162.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.8 m -76.99 -13.45 59.96 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 54.69 76.89 0.22 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.943 2.097 . . . . 0.0 112.243 -162.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.7 mt -133.99 142.25 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.893 1.677 . . . . 0.0 111.472 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -108.71 130.91 55.36 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.146 1.779 . . . . 0.0 110.751 169.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.8 mm -103.21 116.23 62.62 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 124.596 1.158 . . . . 0.0 111.214 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -48.06 127.83 15.64 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.328 2.685 . . . . 0.0 112.977 168.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.7 p -39.81 -51.22 2.41 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.133 2.173 . . . . 0.0 113.408 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -38.36 -57.62 1.1 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.82 1.648 . . . . 0.0 113.911 175.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.5 pt -69.46 -29.37 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 120.784 -1.198 . . . . 0.0 113.488 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.79 -45.43 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 O-C-N 120.913 -1.117 . . . . 0.0 110.252 168.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.62 -64.64 0.77 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.271 1.028 . . . . 0.0 110.715 175.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -51.98 -49.82 62.5 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 122.349 1.071 . . . . 0.0 110.759 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -52.42 53.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.874 175.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.37 -38.0 72.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 118.34 -0.838 . . . . 0.0 112.847 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -58.71 -55.12 39.18 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.732 1.151 . . . . 0.0 112.083 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -62.96 -38.34 90.72 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.389 -0.82 . . . . 0.0 112.162 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.24 53.61 2.2 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.566 1.146 . . . . 0.0 113.687 167.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.79 179.52 0.49 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.564 1.146 . . . . 0.0 112.064 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -121.38 -33.72 3.6 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -170.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.4 t -100.55 145.89 27.77 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.099 -1.001 . . . . 0.0 113.09 -176.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -47.53 -42.28 23.01 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.29 -0.881 . . . . 0.0 112.53 166.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -63.05 -37.61 87.88 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.93 -1.106 . . . . 0.0 113.089 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -67.58 -55.6 12.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.061 -0.4 . . . . 0.0 110.685 176.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.29 -37.33 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.063 -174.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.61 -38.34 89.16 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 120.596 -1.315 . . . . 0.0 112.186 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.267 2.5 p30 -73.42 -45.55 53.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 117.897 -1.521 . . . . 0.0 111.315 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -56.8 -58.03 9.89 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 122.993 0.517 . . . . 0.0 111.501 172.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 71.3 mt -50.92 -56.51 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 O-C-N 121.477 -0.764 . . . . 0.0 110.839 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -29.69 70.3 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.092 -1.005 . . . . 0.0 112.47 -176.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.1 m -63.17 -55.29 26.37 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.131 -0.981 . . . . 0.0 112.468 168.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -64.05 -35.29 80.25 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.528 -1.357 . . . . 0.0 110.9 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -57.55 -36.69 71.97 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 119.772 -1.83 . . . . 0.0 111.909 167.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 85.2 m -66.2 -43.75 85.87 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.436 -1.415 . . . . 0.0 113.246 171.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -47.59 -51.86 19.75 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.682 0.673 . . . . 0.0 110.899 163.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -57.87 -40.96 81.47 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -52.22 -55.06 23.6 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.075 1.307 . . . . 0.0 110.145 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -57.58 -52.07 66.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.765 0.426 . . . . 0.0 112.105 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -45.05 -44.1 9.9 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.294 -1.504 . . . . 0.0 113.47 169.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -82.27 -12.07 58.26 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.767 -1.208 . . . . 0.0 113.424 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -81.37 -34.53 31.67 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.005 2.122 . . . . 0.0 111.604 170.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -51.61 149.25 4.61 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.096 0.559 . . . . 0.0 111.988 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -119.73 126.41 51.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.208 1.403 . . . . 0.0 111.825 -171.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.48 103.5 12.88 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.245 0.93 . . . . 0.0 109.959 171.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -69.38 1.91 3.47 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.6 1.16 . . . . 0.0 114.032 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? . . . . . 0 CA--C 1.536 0.407 0 C-N-CA 126.497 1.919 . . . . 0.0 112.794 -179.407 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 10.1 t -102.26 -178.99 3.86 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.661 1.585 . . . . 0.0 112.012 165.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.02 -66.91 0.2 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.232 1.813 . . . . 0.0 115.58 -167.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.2 p -58.09 -57.5 12.58 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -61.17 -31.57 71.31 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.957 1.253 . . . . 0.0 113.121 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.13 -51.55 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.103 -0.998 . . . . 0.0 111.169 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.61 77.03 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 123.17 1.462 . . . . 0.0 111.607 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.61 -31.44 52.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 121.088 -1.008 . . . . 0.0 112.212 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -29.89 65.74 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 169.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.32 -51.41 12.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.23 -43.11 64.11 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.482 -1.386 . . . . 0.0 111.952 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -52.79 -46.65 67.73 Favored 'General case' 0 C--O 1.227 -0.112 0 O-C-N 120.622 -1.299 . . . . 0.0 112.45 170.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -79.02 -25.89 43.24 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.62 -30.92 67.64 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 119.454 -2.029 . . . . 0.0 111.441 156.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -85.41 0.48 52.08 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 120.422 -1.424 . . . . 0.0 113.579 167.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.7 m120 41.65 60.79 2.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.667 2.787 . . . . 0.0 114.736 -163.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 11.0 mt -123.85 91.61 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.533 1.533 . . . . 0.0 112.409 -173.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 33.1 ttp85 -67.07 137.86 56.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.614 -1.304 . . . . 0.0 111.144 -177.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 33.4 mm -99.65 115.59 65.5 Favored Pre-proline 0 CA--C 1.545 0.775 0 O-C-N 120.082 -1.636 . . . . 0.0 111.22 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -53.6 141.2 64.12 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.392 2.061 . . . . 0.0 110.446 168.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t -56.28 -17.31 7.26 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.764 -0.585 . . . . 0.0 112.317 171.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.78 -10.62 57.96 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 129.869 3.268 . . . . 0.0 112.113 -176.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 mm -75.4 -52.14 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 120.244 -1.535 . . . . 0.0 108.884 154.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 71.0 mt -66.59 -30.92 51.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 124.352 1.061 . . . . 0.0 111.536 -169.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.22 -55.27 4.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.81 2.444 . . . . 0.0 111.931 169.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -72.93 -67.35 0.57 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.274 1.829 . . . . 0.0 110.699 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -52.76 11.01 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.87 1.268 . . . . 0.0 113.147 -159.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 83.6 t -53.02 -34.41 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.452 1.101 . . . . 0.0 113.306 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -69.67 -49.58 52.26 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.093 0.557 . . . . 0.0 112.137 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.18 69.6 2.74 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.737 1.256 . . . . 0.0 110.215 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -56.0 77.38 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.752 2.021 . . . . 0.0 115.66 -166.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.96 156.75 20.22 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.328 -0.858 . . . . 0.0 111.365 170.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -87.51 -55.28 3.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.485 1.514 . . . . 0.0 111.64 -168.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 44.0 t -106.02 150.69 25.5 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -167.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -32.31 -53.57 0.31 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.971 2.108 . . . . 0.0 111.7 156.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -61.4 -42.07 98.15 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.226 -0.922 . . . . 0.0 112.019 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -69.27 -46.83 66.29 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 123.877 0.871 . . . . 0.0 111.211 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.12 -42.28 95.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.975 176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.296 3.6 pp -65.81 -35.76 81.59 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.148 1.34 . . . . 0.0 112.984 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.35 -58.8 6.94 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.146 -0.971 . . . . 0.0 111.222 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -60.89 -44.55 96.95 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.793 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 85.4 mt -58.71 -52.45 59.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 O-C-N 120.864 -1.147 . . . . 0.0 112.278 173.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.88 -45.08 50.26 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 121.128 1.785 . . . . 0.0 110.982 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 11.5 m -57.01 -53.71 55.04 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.471 -0.768 . . . . 0.0 113.031 173.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.7 -27.88 69.21 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.703 -1.248 . . . . 0.0 113.422 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -68.33 -24.45 64.83 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 119.871 -1.768 . . . . 0.0 111.718 167.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.4 23.5 m -70.69 -40.14 73.09 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.637 -1.914 . . . . 0.0 114.995 161.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -51.73 -63.08 1.25 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 120.807 1.639 . . . . 0.0 111.518 162.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -55.16 -39.83 69.94 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -49.44 77.57 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.61 1.55 . . . . 0.0 112.097 170.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.66 -42.02 98.34 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.253 0.933 . . . . 0.0 111.95 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.34 -49.31 72.56 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 123.475 1.607 . . . . 0.0 111.503 171.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.62 -33.61 73.03 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.125 -1.609 . . . . 0.0 112.778 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -75.54 -13.48 60.36 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.519 1.928 . . . . 0.0 113.631 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -76.49 45.17 0.38 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 -167.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER 32.53 103.97 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 130.734 3.613 . . . . 0.0 118.968 171.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.23 105.01 12.97 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.605 -1.309 . . . . 0.0 109.361 157.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -27.25 68.96 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.271 -0.893 . . . . 0.0 113.044 176.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 . . . . . 0 N--CA 1.469 0.52 0 C-N-CA 126.944 2.098 . . . . 0.0 115.13 174.408 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 CA--C 1.545 0.784 0 CA-C-O 120.444 0.164 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -98.63 174.27 6.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.478 1.911 . . . . 0.0 113.143 170.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -33.68 -67.1 0.14 Allowed 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -167.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -63.14 -51.05 68.04 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -176.162 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -65.89 -33.54 76.06 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.44 -1.413 . . . . 0.0 112.807 178.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -62.87 -52.35 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 120.877 -1.139 . . . . 0.0 110.254 171.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.85 71.82 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 122.609 1.195 . . . . 0.0 111.233 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.96 -40.5 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 O-C-N 121.351 -0.843 . . . . 0.0 111.875 174.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.2 -33.38 75.36 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 171.437 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.39 -55.09 13.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.96 0.886 . . . . 0.0 108.769 175.142 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.4 mt -49.86 -40.88 44.01 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.064 -1.023 . . . . 0.0 112.409 171.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -53.84 -56.57 16.42 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.324 -1.485 . . . . 0.0 113.035 171.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.55 -31.87 62.25 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.523 1.056 . . . . 0.0 112.927 -174.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -52.49 -44.17 65.47 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 120.202 -1.562 . . . . 0.0 111.366 160.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.6 t -73.25 -2.95 23.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.695 1.198 . . . . 0.0 113.868 174.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 62.51 46.04 5.9 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 129.47 3.108 . . . . 0.0 113.545 -175.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.2 mt -113.5 107.05 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.211 1.004 . . . . 0.0 112.081 173.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.74 118.18 16.39 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 165.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.3 mm -77.31 124.93 86.99 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 120.394 -1.441 . . . . 0.0 110.542 174.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.83 131.25 19.38 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 121.958 1.772 . . . . 0.0 110.123 170.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 m -47.92 -36.66 12.73 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.432 1.893 . . . . 0.0 113.677 -170.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.89 -45.22 15.1 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 173.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.3 mm -50.49 -51.9 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.671 0.748 . . . . 0.0 110.64 170.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.6 mt -68.71 -46.24 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.028 -171.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -49.83 -49.2 49.9 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.745 0.818 . . . . 0.0 112.447 177.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -63.12 -64.26 0.96 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.299 1.44 . . . . 0.0 110.968 173.038 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -47.32 81.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.071 0.948 . . . . 0.0 113.095 -169.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.97 -38.72 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 O-C-N 120.88 -1.138 . . . . 0.0 111.741 172.042 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -63.24 1.19 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.466 0.575 . . . . 0.0 111.287 171.33 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -84.66 63.94 8.23 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 122.437 1.113 . . . . 0.0 112.3 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -55.23 103.62 0.1 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.338 1.055 . . . . 0.0 113.235 -178.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.5 mt -73.85 177.55 5.48 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.176 0.989 . . . . 0.0 112.794 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -64.55 -43.29 94.41 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.798 0.839 . . . . 0.0 112.887 -161.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -178.13 172.23 1.61 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.674 0.79 . . . . 0.0 110.883 -158.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 3.9 mp0 -43.35 -62.28 1.11 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.605 1.962 . . . . 0.0 113.53 -165.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -56.37 -37.3 69.89 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.035 -176.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -77.46 -43.18 33.23 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 124.791 1.236 . . . . 0.0 110.921 -173.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.3 m -62.98 -44.48 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.667 168.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.36 -37.5 74.63 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.709 -1.244 . . . . 0.0 112.208 -174.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -51.03 -58.76 5.25 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.116 0.967 . . . . 0.0 110.869 167.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -53.02 -56.33 16.88 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 123.123 0.569 . . . . 0.0 111.611 178.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.0 mt -53.46 -47.15 59.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.284 1.034 . . . . 0.0 111.724 178.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.79 -37.7 76.9 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 119.745 -1.847 . . . . 0.0 112.756 173.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.8 m -66.07 -54.43 25.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.005 0.922 . . . . 0.0 112.618 174.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.9 -34.06 75.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.854 1.261 . . . . 0.0 111.705 175.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -63.95 -29.64 70.79 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 119.888 -1.757 . . . . 0.0 112.219 166.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.333 93.7 m -69.95 -39.51 76.02 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 120.497 -1.377 . . . . 0.0 114.316 169.004 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -50.27 -61.17 2.32 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.72 1.145 . . . . 0.0 111.061 159.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -52.31 -42.3 63.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -50.3 -49.95 52.11 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.796 -1.19 . . . . 0.0 111.533 172.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.52 -48.08 82.01 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.541 1.064 . . . . 0.0 112.458 172.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.26 -10.52 24.23 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 172.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -102.21 -2.71 28.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.945 1.698 . . . . 0.0 112.471 170.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -101.73 -52.18 3.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.856 2.062 . . . . 0.0 111.467 -174.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -46.3 133.32 9.64 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.353 1.061 . . . . 0.0 112.46 177.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -97.19 128.26 43.91 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.622 -1.299 . . . . 0.0 111.897 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.54 100.33 6.87 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.234 -0.916 . . . . 0.0 109.16 172.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -67.97 -4.4 13.04 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.326 -1.484 . . . . 0.0 114.131 -175.144 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 . . . . . 0 N--CA 1.465 0.282 0 C-N-CA 126.218 1.807 . . . . 0.0 113.646 163.046 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 122.002 0.906 . . . . 0.0 113.068 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.5 t -91.3 -167.76 1.88 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.402 -0.812 . . . . 0.0 112.581 165.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.48 -68.28 0.2 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -164.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 83.7 m -61.58 -47.38 85.75 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.141 -0.975 . . . . 0.0 112.738 -173.281 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 pm0 -65.58 -38.45 89.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.793 0.837 . . . . 0.0 111.649 -178.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.97 -49.38 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 O-C-N 121.169 -0.957 . . . . 0.0 111.034 168.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.84 -40.16 63.12 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.605 1.193 . . . . 0.0 111.348 176.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.7 t -71.75 -37.86 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 123.929 0.892 . . . . 0.0 112.371 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.06 -34.35 76.09 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 169.134 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.33 -50.69 44.13 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -49.56 -38.41 31.08 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.849 -1.157 . . . . 0.0 113.008 168.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -56.48 -54.24 48.07 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 120.16 -1.588 . . . . 0.0 113.061 169.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.279 15.9 mm-40 -79.67 -22.7 43.16 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.962 1.256 . . . . 0.0 114.122 -175.09 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -52.59 -41.85 64.01 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.145 -1.597 . . . . 0.0 111.079 155.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 16.3 m -80.22 2.74 23.2 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 172.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 45.63 65.26 1.18 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.109 1.764 . . . . 0.0 112.343 -165.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 79.2 mt -124.07 103.37 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.579 1.152 . . . . 0.0 111.545 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 138.46 57.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.035 168.349 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 13.5 mm -108.38 129.99 23.34 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 125.635 1.574 . . . . 0.0 110.229 176.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -62.17 143.67 94.75 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.822 2.348 . . . . 0.0 112.752 169.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 61.1 p -48.4 -58.31 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.116 1.766 . . . . 0.0 112.664 173.389 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -40.52 -54.26 2.54 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . 0.25 15.2 pt -64.46 -35.02 73.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 O-C-N 120.678 -1.263 . . . . 0.0 113.168 177.303 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.28 -50.49 80.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 120.538 1.517 . . . . 0.0 111.224 171.216 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -48.36 -50.45 30.53 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.183 1.793 . . . . 0.0 111.318 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.86 -58.36 5.78 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.631 0.772 . . . . 0.0 111.89 172.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -55.29 -39.71 70.21 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.696 1.198 . . . . 0.0 113.105 -164.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 71.6 t -46.5 -49.4 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 O-C-N 121.268 -0.895 . . . . 0.0 112.56 168.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -65.82 -40.6 91.99 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.083 -1.011 . . . . 0.0 112.216 174.23 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -59.6 -35.0 73.45 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.392 -0.817 . . . . 0.0 112.456 176.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . 0.313 0.0 OUTLIER 26.17 59.32 0.07 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 128.155 2.582 . . . . 0.0 116.588 -178.192 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.0 156.06 15.53 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.327 -0.858 . . . . 0.0 111.629 176.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -72.02 -57.92 3.87 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 120.737 -1.227 . . . . 0.0 110.41 -152.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.0 p -96.51 163.92 12.83 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -39.85 -53.81 2.23 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.914 2.085 . . . . 0.0 111.269 161.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -59.14 -40.09 84.42 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.388 0.675 . . . . 0.0 112.503 -178.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -68.9 -47.49 65.69 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.881 -0.512 . . . . 0.0 111.739 178.197 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.03 -43.27 97.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.998 178.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.274 3.3 pp -67.64 -33.79 75.66 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.765 -1.21 . . . . 0.0 112.69 178.46 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -55.35 -62.39 1.7 Allowed 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.761 -1.212 . . . . 0.0 111.364 168.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -52.29 -53.28 46.15 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.773 0.829 . . . . 0.0 111.705 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 87.7 mt -56.11 -55.34 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 123.676 0.79 . . . . 0.0 111.454 177.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -50.31 -40.29 48.3 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 120.683 1.583 . . . . 0.0 112.151 174.192 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.3 m -64.86 -59.46 4.18 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.076 0.95 . . . . 0.0 113.151 176.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.78 -34.75 78.6 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.509 -1.369 . . . . 0.0 111.977 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -56.88 -33.38 66.8 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.194 -1.566 . . . . 0.0 112.643 165.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.252 72.7 m -73.11 -31.93 64.64 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.582 -1.324 . . . . 0.0 114.247 167.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -58.29 6.29 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.192 1.36 . . . . 0.0 110.549 159.276 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -52.68 -43.63 65.7 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.934 -1.104 . . . . 0.0 113.764 174.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -49.25 -53.54 21.12 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.261 -0.9 . . . . 0.0 110.806 171.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.36 -53.17 61.26 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 176.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -49.42 -38.26 28.54 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.16 1.346 . . . . 0.0 112.676 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -87.53 -6.81 58.18 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -88.46 -39.63 14.09 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.163 2.185 . . . . 0.0 110.731 169.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -54.62 134.87 47.03 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.186 0.995 . . . . 0.0 113.039 174.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 140.68 58.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.702 1.601 . . . . 0.0 114.085 171.481 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 24.4 tp -95.7 102.14 13.91 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.39 1.45 . . . . 0.0 110.795 144.203 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.67 -7.87 12.33 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -177.875 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 125.815 1.646 . . . . 0.0 113.886 -177.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 p -104.82 -155.54 0.54 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.402 1.081 . . . . 0.0 111.651 168.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.95 -69.05 0.12 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -158.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.3 p -65.52 -43.19 90.82 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.8 0.809 . . . . 0.0 112.436 -170.076 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -68.83 -40.87 79.21 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.559 1.144 . . . . 0.0 110.904 -177.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.9 -46.06 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 121.197 -0.939 . . . . 0.0 111.172 171.145 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.4 -40.8 75.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.936 0.874 . . . . 0.0 111.596 -179.73 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.278 16.0 t -79.1 -32.18 15.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 121.42 -0.8 . . . . 0.0 112.704 176.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.34 -34.74 75.77 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.245 -1.534 . . . . 0.0 114.478 168.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -55.21 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 169.132 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.8 mt -51.86 -37.02 50.41 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 118.54 -0.743 . . . . 0.0 112.411 177.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' B' ' 124' ' ' LEU . 26.6 m-85 -62.4 -71.24 0.16 Allowed 'General case' 0 C--O 1.239 0.504 0 CA-C-N 120.818 1.645 . . . . 0.0 113.05 166.606 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -70.06 -40.35 75.11 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.961 0.41 . . . . 0.0 110.387 -161.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -65.31 -41.0 94.48 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.164 -0.96 . . . . 0.0 112.533 173.23 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.8 t -58.26 -42.78 87.21 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 120.406 -1.434 . . . . 0.0 111.425 170.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . 0.262 20.3 p-10 125.39 18.39 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 130.463 3.505 . . . . 0.0 114.399 173.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mp -84.92 114.36 25.0 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 C-N-CA 125.642 1.577 . . . . 0.0 109.058 171.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -79.1 116.91 19.68 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.053 165.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.3 mm -77.07 136.62 65.81 Favored Pre-proline 0 CA--C 1.548 0.869 0 O-C-N 120.852 -1.155 . . . . 0.0 111.841 176.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -74.87 130.8 13.76 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 121.537 1.491 . . . . 0.0 109.618 169.212 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 p -48.73 -39.65 25.57 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.957 1.703 . . . . 0.0 114.326 -175.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -40.17 -60.31 1.09 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.902 1.281 . . . . 0.0 113.76 174.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.25 19.4 pt -65.35 -27.7 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 120.199 -1.563 . . . . 0.0 112.683 178.73 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.58 -43.68 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 120.754 -1.216 . . . . 0.0 111.335 170.06 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -47.24 -60.23 2.63 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.819 0.848 . . . . 0.0 111.628 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.81 -46.39 65.79 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 178.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.47 -45.55 73.18 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.542 -1.349 . . . . 0.0 112.314 -178.121 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.64 -35.82 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 121.095 -1.003 . . . . 0.0 113.213 170.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -67.34 -64.15 0.92 Allowed 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.28 -0.887 . . . . 0.0 110.755 172.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -60.3 -46.88 88.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.561 1.144 . . . . 0.0 113.061 -174.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 56.69 73.23 0.46 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.54 1.136 . . . . 0.0 112.833 162.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.94 165.79 24.5 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.449 -172.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.12 -25.2 51.87 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -157.5 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -150.79 167.87 26.14 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -46.47 -40.84 13.06 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.734 2.014 . . . . 0.0 112.73 -178.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -55.54 -52.17 64.61 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.77 1.228 . . . . 0.0 111.658 175.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.39 -44.44 78.87 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.659 -0.651 . . . . 0.0 111.528 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.01 -38.38 81.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.188 177.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 3.7 pp -65.2 -37.55 87.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.782 1.628 . . . . 0.0 111.541 174.444 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.23 -57.78 11.34 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.043 0.838 . . . . 0.0 111.467 174.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -49.25 -58.61 4.74 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.504 -0.748 . . . . 0.0 111.221 173.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.16 -52.22 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 121.349 -0.845 . . . . 0.0 111.014 -172.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.96 -39.83 86.97 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.778 -1.201 . . . . 0.0 112.154 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.3 p -62.91 -51.5 66.7 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.026 -1.046 . . . . 0.0 112.948 172.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -70.88 -35.72 72.46 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.446 1.475 . . . . 0.0 112.343 -177.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -53.26 -32.82 50.38 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.978 -1.701 . . . . 0.0 111.792 161.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.302 96.9 m -78.8 -33.09 46.52 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 119.967 -1.708 . . . . 0.0 114.565 172.335 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -50.24 -58.45 5.59 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.991 1.269 . . . . 0.0 110.237 156.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -54.21 -39.27 66.55 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -49.3 75.05 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.138 -1.601 . . . . 0.0 112.391 173.165 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.13 -35.18 79.91 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.512 -0.743 . . . . 0.0 112.167 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -54.66 -62.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.428 1.091 . . . . 0.0 110.447 168.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -61.75 -12.57 17.53 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -75.28 -32.27 60.98 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.157 1.383 . . . . 0.0 113.062 168.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -63.61 135.57 56.88 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.052 -1.03 . . . . 0.0 113.61 -179.472 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 131.97 44.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.771 3.228 . . . . 0.0 115.744 178.793 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.0 tp -86.9 109.31 19.24 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.251 1.387 . . . . 0.0 110.327 149.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.48 26.04 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 179.344 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? . . . . . 0 CA--C 1.544 0.723 0 C-N-CA 126.74 2.016 . . . . 0.0 115.484 -169.531 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.543 0.687 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -116.39 -171.69 2.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.295 2.238 . . . . 0.0 110.89 168.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -35.09 -66.16 0.19 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.502 1.921 . . . . 0.0 115.997 -166.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.6 m -65.37 -55.87 15.72 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.212 -0.93 . . . . 0.0 113.141 -170.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -59.13 -43.52 91.99 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.086 -1.009 . . . . 0.0 111.416 176.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.1 -44.65 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 120.901 -1.124 . . . . 0.0 110.992 174.048 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.62 81.41 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.522 1.153 . . . . 0.0 111.61 176.288 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . 0.254 7.0 t -72.21 -37.28 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 120.818 -1.176 . . . . 0.0 112.421 178.306 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -40.33 80.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.587 1.155 . . . . 0.0 113.588 168.301 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -56.18 17.61 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 122.16 0.981 . . . . 0.0 109.041 174.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 80.3 mt -54.84 -36.17 64.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.458 -0.776 . . . . 0.0 112.361 178.346 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -51.95 -58.22 7.14 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.928 1.24 . . . . 0.0 112.328 168.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -73.7 -26.94 60.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -173.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -56.43 -47.56 78.8 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.7 -1.25 . . . . 0.0 111.068 158.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -18.38 63.27 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 169.3 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 3.9 m120 75.26 66.12 0.07 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 130.008 3.323 . . . . 0.0 111.489 -175.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 55.4 mt -134.92 106.73 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.627 1.971 . . . . 0.0 112.69 -177.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -71.06 133.5 46.33 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.798 -0.564 . . . . 0.0 110.091 165.188 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.23 127.48 38.3 Favored Pre-proline 0 CA--C 1.541 0.634 0 O-C-N 121.036 -1.04 . . . . 0.0 110.49 175.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.4 114.73 4.12 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 121.297 1.331 . . . . 0.0 109.236 170.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -29.59 -43.32 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 128.856 2.862 . . . . 0.0 116.299 -175.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -41.21 -48.64 3.52 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.736 1.214 . . . . 0.0 113.51 173.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 27.6 mm -44.94 -60.55 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 123.667 0.787 . . . . 0.0 110.866 169.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.9 -46.64 96.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.513 1.125 . . . . 0.0 110.468 -174.341 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.31 -62.35 1.53 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.276 1.831 . . . . 0.0 110.255 177.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.35 -51.71 64.78 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.954 -1.091 . . . . 0.0 112.235 178.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -53.1 35.13 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.495 1.118 . . . . 0.0 111.984 -175.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 49.0 t -52.44 -53.11 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.811 0.844 . . . . 0.0 112.069 171.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -60.3 -53.59 55.78 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.722 0.772 . . . . 0.0 113.008 -176.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -59.66 -35.79 75.15 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.935 -1.103 . . . . 0.0 111.297 176.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? 69.27 71.84 0.26 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.288 1.435 . . . . 0.0 112.75 167.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.19 165.4 24.45 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.474 0.709 . . . . 0.0 110.336 163.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -112.07 -70.53 0.8 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.121 0.968 . . . . 0.0 112.704 -166.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -70.42 147.14 49.82 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -167.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.31 64.78 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.579 2.751 . . . . 0.0 109.502 168.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 178.7 -52.18 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 129.982 3.313 . . . . 0.0 109.691 -174.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.06 -48.09 73.95 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 120.783 -1.198 . . . . 0.0 111.145 176.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 24.3 m -59.59 -43.02 90.1 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.064 -176.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.05 -36.53 75.06 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 118.924 -1.11 . . . . 0.0 112.105 177.384 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -59.96 -51.74 68.4 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.27 0.941 . . . . 0.0 110.065 178.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -56.98 -55.7 31.29 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.758 0.823 . . . . 0.0 112.083 174.385 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.91 -54.53 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 123.487 0.715 . . . . 0.0 111.371 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -55.01 -41.0 70.74 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.302 -1.499 . . . . 0.0 112.276 177.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 84.0 m -60.13 -54.96 39.66 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.097 -1.002 . . . . 0.0 112.426 172.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.59 -30.02 68.68 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 120.42 -1.425 . . . . 0.0 113.492 -177.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -59.24 -42.72 91.76 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 120.359 -1.463 . . . . 0.0 110.147 164.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.295 88.5 m -58.67 -44.72 90.29 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.919 -1.113 . . . . 0.0 113.764 172.149 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -48.97 -57.32 6.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.044 0.838 . . . . 0.0 111.594 161.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -53.77 -44.68 70.25 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.153 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.277 19.2 pttm -58.06 -41.87 84.25 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 119.856 -1.778 . . . . 0.0 112.921 171.482 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.78 -42.48 95.04 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.448 1.022 . . . . 0.0 112.844 174.198 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . 0.454 ' CD ' ' HZ1' ' B' ' 122' ' ' LYS . 10.9 tp10 -53.5 -48.19 69.2 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.103 -1.623 . . . . 0.0 111.464 171.648 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.43 -11.35 32.36 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.564 1.546 . . . . 0.0 113.343 173.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -106.98 -27.79 10.44 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.486 1.914 . . . . 0.0 113.596 -177.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . 0.454 ' HZ1' ' CD ' ' B' ' 119' ' ' GLU . 75.7 mttt -41.73 135.3 2.28 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.788 1.235 . . . . 0.0 113.261 179.513 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.73 121.82 11.35 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -175.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . 0.4 HD13 ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -109.67 108.58 19.03 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 159.008 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -76.79 31.14 0.13 Allowed 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -175.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 127.636 2.374 . . . . 0.0 115.898 -178.843 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.0 p -111.32 -153.67 0.52 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.797 1.639 . . . . 0.0 111.552 171.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.56 -74.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -157.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.2 p -60.07 -47.77 84.5 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -174.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -63.18 -42.61 99.41 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.354 -0.841 . . . . 0.0 111.666 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.12 -46.25 88.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 O-C-N 121.201 -0.937 . . . . 0.0 111.492 173.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.08 76.42 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 122.223 1.011 . . . . 0.0 111.461 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.5 t -70.12 -36.74 69.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 O-C-N 121.538 -0.726 . . . . 0.0 112.12 175.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.92 -40.0 91.52 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 168.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.46 -50.23 66.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.604 -0.685 . . . . 0.0 109.216 176.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.5 mt -45.81 -48.94 15.63 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.089 -1.007 . . . . 0.0 112.22 170.395 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -50.17 -53.64 26.41 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.777 -1.202 . . . . 0.0 113.071 173.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -82.54 -25.11 33.67 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -173.003 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -48.77 -44.4 38.72 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.162 -1.586 . . . . 0.0 109.606 154.165 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 m -78.29 -2.22 36.94 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 175.453 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 48.86 68.62 0.68 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.741 2.816 . . . . 0.0 114.447 -165.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.2 mt -126.37 110.75 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 124.819 1.247 . . . . 0.0 110.314 175.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -66.84 140.33 57.8 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 118.054 -1.458 . . . . 0.0 110.011 165.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.1 mm -104.35 125.66 33.61 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 125.002 1.321 . . . . 0.0 108.286 167.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.82 135.62 23.88 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 N-CA-C 108.535 -1.371 . . . . 0.0 108.535 175.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -39.12 1.34 Allowed 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 126.568 1.947 . . . . 0.0 113.292 -177.519 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.94 -46.63 16.29 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.421 1.488 . . . . 0.0 113.674 174.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.0 mm -54.54 -51.9 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 O-C-N 121.382 -0.824 . . . . 0.0 110.289 171.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.69 -43.85 93.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.098 0.559 . . . . 0.0 110.661 -171.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -47.07 -59.72 2.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.303 1.441 . . . . 0.0 111.258 170.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -57.82 -59.37 5.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.036 0.935 . . . . 0.0 110.622 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -51.52 62.79 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.856 0.836 . . . . 0.0 112.043 -174.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.35 -23.8 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.231 1.012 . . . . 0.0 112.787 177.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -68.78 -57.5 5.52 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.857 1.208 . . . . 0.0 111.47 162.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -59.38 -45.02 92.6 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -172.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.15 71.37 0.45 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 174.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.9 mt -70.22 -175.95 1.08 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.977 1.311 . . . . 0.0 110.974 164.066 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -142.1 -25.56 0.66 Allowed 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -172.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -100.24 140.58 34.28 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.011 1.278 . . . . 0.0 113.704 -178.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 67.5 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 128.876 2.871 . . . . 0.0 110.021 170.422 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 174.8 -55.64 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 129.16 2.984 . . . . 0.0 108.498 -167.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -59.41 -51.59 69.25 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.589 0.755 . . . . 0.0 110.7 176.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 m -57.13 -46.72 84.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.137 177.436 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.27 1.2 pp -68.19 -39.48 82.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 118.797 -1.161 . . . . 0.0 112.183 -178.387 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.259 9.9 p30 -71.55 -42.29 68.04 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.23 1.377 . . . . 0.0 112.289 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.16 -55.48 34.38 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.924 0.889 . . . . 0.0 111.707 172.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -54.01 -49.04 63.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 O-C-N 120.739 -1.226 . . . . 0.0 111.254 176.042 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -60.27 -41.01 92.4 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.752 -1.218 . . . . 0.0 113.166 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 p -64.79 -49.8 69.25 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.855 -1.153 . . . . 0.0 112.541 172.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.85 -34.51 77.51 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.559 -1.338 . . . . 0.0 112.218 175.706 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -65.36 -20.94 66.61 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 119.924 -1.735 . . . . 0.0 111.847 169.327 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.274 90.9 m -83.54 -38.18 22.05 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 119.433 -2.042 . . . . 0.0 114.271 168.269 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -47.78 -57.86 5.07 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.669 1.122 . . . . 0.0 110.295 157.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -55.38 -38.77 69.3 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -55.45 -58.35 8.1 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.476 -1.39 . . . . 0.0 112.683 167.311 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.5 mt -56.98 -44.76 83.02 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.292 1.044 . . . . 0.0 111.925 -177.45 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -55.21 -51.65 65.9 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.62 1.168 . . . . 0.0 111.901 171.706 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -72.2 -10.5 59.87 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.175 -1.578 . . . . 0.0 114.559 176.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -39.13 84.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.453 1.101 . . . . 0.0 111.427 165.084 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -54.5 131.67 43.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -106.79 133.06 52.03 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.715 2.006 . . . . 0.0 111.41 -173.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.6 tp -84.45 98.76 10.26 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.391 0.996 . . . . 0.0 110.138 173.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -63.74 -10.42 19.56 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.394 -1.441 . . . . 0.0 112.828 177.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . 0.285 13.9 ptp180 . . . . . 0 CA--C 1.537 0.459 0 C-N-CA 128.116 2.566 . . . . 0.0 116.434 155.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.262 10.9 mp . . . . . 0 CA--C 1.542 0.644 0 CA-C-O 122.658 1.218 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 16.9 t -89.78 -175.97 4.81 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.17 1.788 . . . . 0.0 112.378 170.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.0 -71.28 0.08 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -169.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.3 p -59.32 -45.48 91.21 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.051 -1.031 . . . . 0.0 113.379 -175.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.94 -37.04 85.01 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.009 0.923 . . . . 0.0 111.616 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.84 -51.9 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 120.953 -1.092 . . . . 0.0 111.701 170.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.86 66.1 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.602 1.192 . . . . 0.0 111.416 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 t -70.92 -40.46 76.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.432 173.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.15 -29.13 69.6 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 169.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.17 -55.19 7.69 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 34.2 mt -48.86 -41.28 32.63 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.39 -0.819 . . . . 0.0 111.957 170.31 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -54.6 -54.68 38.29 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 120.683 -1.261 . . . . 0.0 112.836 171.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.266 57.7 mm-40 -73.64 -20.16 60.65 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.357 1.435 . . . . 0.0 113.381 -178.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -58.77 -31.79 68.7 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 119.898 -1.752 . . . . 0.0 111.914 157.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 68.6 m -87.92 9.78 20.97 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.353 -1.467 . . . . 0.0 113.434 167.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 35.31 57.34 0.83 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.704 2.002 . . . . 0.0 113.926 -160.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 21.2 mt -105.26 104.78 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.528 1.131 . . . . 0.0 112.622 -178.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.69 115.64 15.58 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.921 0.867 . . . . 0.0 109.593 169.243 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 50.1 mm -82.63 130.77 57.21 Favored Pre-proline 0 CA--C 1.548 0.882 0 O-C-N 120.562 -1.336 . . . . 0.0 109.967 173.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.36 153.76 26.67 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.069 2.513 . . . . 0.0 112.943 169.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -53.16 -56.41 16.56 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.85 0.86 . . . . 0.0 112.385 171.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -41.92 -56.55 2.71 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.88 1.272 . . . . 0.0 113.312 178.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 33.9 mm -43.22 -56.26 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.985 0.422 . . . . 0.0 111.036 172.035 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.34 -47.32 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 O-C-N 121.448 -0.783 . . . . 0.0 110.804 -175.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.41 -55.79 22.14 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.86 1.264 . . . . 0.0 111.155 -179.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.45 -57.8 11.22 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.593 1.157 . . . . 0.0 110.775 174.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -50.71 70.32 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.519 -0.738 . . . . 0.0 112.129 -170.528 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.04 -46.36 54.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 O-C-N 120.949 -1.095 . . . . 0.0 111.95 168.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -46.51 61.05 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.848 -1.157 . . . . 0.0 113.412 171.453 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -69.47 -70.23 0.29 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.301 0.955 . . . . 0.0 111.94 175.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 62.71 88.07 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.826 2.45 . . . . 0.0 114.509 -168.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.35 168.38 16.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.171 163.595 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.07 -63.47 1.35 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.061 -1.024 . . . . 0.0 111.301 -167.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 45.2 t -83.51 149.17 26.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 122.104 0.954 . . . . 0.0 113.097 -175.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -31.62 -55.33 0.27 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.467 1.907 . . . . 0.0 111.524 153.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -57.75 -41.63 82.28 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.204 -0.935 . . . . 0.0 112.747 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -71.18 -48.92 48.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.139 0.576 . . . . 0.0 110.592 -175.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.77 -41.58 93.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.357 174.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.308 2.2 pp -70.73 -33.3 70.7 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.691 1.132 . . . . 0.0 112.661 -178.42 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -56.2 -60.91 2.82 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.981 -1.075 . . . . 0.0 111.558 166.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -51.16 -55.22 19.0 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.478 1.111 . . . . 0.0 111.298 179.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.1 mt -55.8 -56.52 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 123.943 0.897 . . . . 0.0 111.46 177.437 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -49.38 -47.19 47.84 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 121.087 1.767 . . . . 0.0 111.791 177.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 22.2 m -55.94 -56.04 25.46 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.602 -0.686 . . . . 0.0 111.812 174.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -61.12 -34.35 74.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 178.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -57.44 -36.55 71.53 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 119.73 -1.857 . . . . 0.0 110.783 168.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.295 77.3 m -72.9 -35.71 67.15 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 172.703 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -53.36 -57.52 10.3 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.993 1.27 . . . . 0.0 111.205 161.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -54.79 -45.03 74.24 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.227 -0.921 . . . . 0.0 113.147 179.172 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -45.41 -51.2 11.69 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.981 -1.074 . . . . 0.0 111.656 168.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.57 -45.84 88.59 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 175.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -54.86 -33.88 62.32 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 119.912 -1.743 . . . . 0.0 112.751 170.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -75.13 -7.21 53.14 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 119.994 -1.691 . . . . 0.0 112.805 175.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -111.73 -42.63 3.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.252 2.221 . . . . 0.0 113.434 -173.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -36.35 139.42 0.17 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 126.032 1.733 . . . . 0.0 114.956 178.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 130.03 43.02 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -178.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 17.4 tp -119.01 116.44 26.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.532 1.133 . . . . 0.0 109.733 157.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.52 23.65 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -174.382 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? . . . . . 0 CA--C 1.545 0.763 0 C-N-CA 126.772 2.029 . . . . 0.0 114.705 177.841 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.8 t -102.14 -170.36 1.8 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.518 1.927 . . . . 0.0 112.342 170.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.67 -63.56 1.02 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -168.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.5 p -66.18 -46.0 78.9 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.197 -0.939 . . . . 0.0 112.828 -171.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -67.22 -35.04 78.76 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.956 -1.09 . . . . 0.0 112.23 176.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.7 t -69.3 -42.78 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 O-C-N 120.687 -1.258 . . . . 0.0 112.217 173.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.39 64.14 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 122.418 1.104 . . . . 0.0 111.332 171.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.19 -35.92 60.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 123.469 0.708 . . . . 0.0 112.307 174.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mt -58.17 -33.7 69.51 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 168.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.23 -52.3 19.78 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.387 -0.821 . . . . 0.0 109.634 178.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 mt -56.84 -31.39 64.72 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.049 -1.032 . . . . 0.0 112.007 174.205 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -55.67 -58.63 7.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 120.764 -1.21 . . . . 0.0 113.43 165.108 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.28 52.4 mm-40 -72.49 -21.81 61.15 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 121.256 1.844 . . . . 0.0 113.622 -177.42 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -54.61 -40.19 68.65 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 119.973 -1.704 . . . . 0.0 111.674 158.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 p -84.42 9.22 13.86 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.234 -1.542 . . . . 0.0 114.214 171.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 39.86 58.2 2.15 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.307 2.243 . . . . 0.0 113.892 -163.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.9 mt -110.22 98.75 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.371 1.068 . . . . 0.0 113.256 178.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -68.63 129.33 39.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 118.739 -1.184 . . . . 0.0 109.417 164.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.9 mm -88.83 129.98 46.57 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.447 -0.783 . . . . 0.0 110.631 175.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.06 132.3 48.54 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.977 1.785 . . . . 0.0 112.187 169.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.8 m -41.17 -39.33 1.28 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.782 0.833 . . . . 0.0 112.922 168.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -36.9 81.33 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 178.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.7 mm -53.98 -54.16 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 O-C-N 120.743 -1.223 . . . . 0.0 109.294 167.297 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.66 -45.98 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 121.942 -0.474 . . . . 0.0 110.077 -168.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -41.96 -51.56 4.37 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.114 1.766 . . . . 0.0 112.829 173.121 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.47 -62.83 1.3 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.508 1.523 . . . . 0.0 111.187 174.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -44.28 74.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.168 1.387 . . . . 0.0 113.438 -170.075 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.2 t -51.41 -36.73 17.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 120.896 -1.127 . . . . 0.0 112.246 171.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -51.02 13.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.113 1.365 . . . . 0.0 113.111 174.145 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -57.67 -46.03 84.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.987 0.898 . . . . 0.0 111.781 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 47.4 69.38 0.52 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.808 2.443 . . . . 0.0 115.578 172.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.9 161.28 10.73 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.393 169.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -86.09 -63.69 1.28 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 122.134 0.968 . . . . 0.0 110.329 -158.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 m -78.87 145.58 34.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 122.319 1.057 . . . . 0.0 112.603 -176.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -31.75 -52.8 0.25 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.804 2.041 . . . . 0.0 112.593 159.247 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -67.94 -33.04 73.91 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.295 -1.503 . . . . 0.0 112.576 -179.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.88 -49.05 69.47 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.332 -0.855 . . . . 0.0 111.691 176.467 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.0 -41.79 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.917 -178.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.67 -39.72 88.27 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 118.272 -1.371 . . . . 0.0 112.234 174.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -52.77 -55.54 22.17 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 120.947 -1.096 . . . . 0.0 110.857 174.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -57.04 -67.21 0.34 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.008 1.323 . . . . 0.0 111.432 177.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.3 mt -48.15 -50.44 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 124.177 0.991 . . . . 0.0 111.586 -177.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.88 -45.53 82.47 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.871 -1.143 . . . . 0.0 112.071 -179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.9 m -58.37 -55.12 39.07 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.227 -0.92 . . . . 0.0 111.599 170.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -54.37 -28.97 46.84 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.401 1.881 . . . . 0.0 112.241 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.2 ttt-85 -75.61 -41.51 54.17 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.213 -1.554 . . . . 0.0 112.293 176.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 m -63.57 -37.41 87.22 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.503 -1.373 . . . . 0.0 112.652 166.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -51.26 -59.61 4.02 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.075 0.852 . . . . 0.0 110.869 163.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -48.0 -48.18 32.78 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 177.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -47.51 -50.43 23.49 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.473 -0.767 . . . . 0.0 112.506 173.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.64 -41.51 75.52 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 176.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -56.59 -37.47 70.68 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.041 -1.662 . . . . 0.0 111.537 174.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -73.82 2.08 9.17 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.54 1.536 . . . . 0.0 113.779 174.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.68 -31.57 8.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.853 2.061 . . . . 0.0 112.508 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -50.91 141.89 12.71 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -175.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 122.33 8.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 129.309 3.044 . . . . 0.0 115.264 -178.79 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -117.53 122.91 44.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.142 0.977 . . . . 0.0 109.335 154.247 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.55 23.65 0.09 Allowed 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -178.095 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 CA--C 1.545 0.774 0 C-N-CA 125.892 1.677 . . . . 0.0 113.148 -172.934 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.545 0.777 0 CA-C-O 122.454 1.121 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -176.36 4.52 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.903 0.881 . . . . 0.0 111.687 164.159 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.88 -58.27 4.1 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -171.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -42.22 81.26 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.212 -0.93 . . . . 0.0 112.259 -173.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -71.17 -30.84 66.93 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.66 -0.65 . . . . 0.0 111.897 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.32 -47.87 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 O-C-N 120.437 -1.414 . . . . 0.0 111.453 166.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.18 80.86 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 122.017 0.913 . . . . 0.0 111.548 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -43.6 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 O-C-N 121.169 -0.957 . . . . 0.0 112.069 -178.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.93 -38.47 4.7 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.727 0.811 . . . . 0.0 113.079 165.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.39 -48.59 40.31 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.753 -0.592 . . . . 0.0 110.763 177.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.81 -42.46 17.14 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 119.996 -1.69 . . . . 0.0 111.784 169.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . 0.439 ' CE1' HD12 ' A' ' 124' ' ' LEU . 45.9 m-85 -59.45 -58.01 10.47 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 171.524 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.17 -24.99 29.92 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -169.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -43.77 -42.9 5.78 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.268 1.509 . . . . 0.0 110.478 152.241 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -87.08 2.99 47.97 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 178.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.323 0.0 OUTLIER 52.67 41.99 31.51 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 129.485 3.114 . . . . 0.0 115.247 -168.449 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.17 104.63 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 O-C-N 120.594 -1.317 . . . . 0.0 111.673 175.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.79 104.36 1.65 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 169.342 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 35.7 mm -69.98 117.57 55.22 Favored Pre-proline 0 CA--C 1.54 0.596 0 O-C-N 120.839 -1.163 . . . . 0.0 109.943 168.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -64.6 126.08 16.12 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 N-CA-C 109.386 -1.044 . . . . 0.0 109.386 173.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 58.6 p -41.88 -32.87 0.46 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.586 1.954 . . . . 0.0 114.397 -178.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.24 -44.55 53.54 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.477 1.111 . . . . 0.0 113.101 174.333 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 20.8 mm -49.9 -51.2 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 O-C-N 120.997 -1.065 . . . . 0.0 111.407 168.316 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.02 -42.78 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.036 0.934 . . . . 0.0 110.278 -171.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.06 -40.5 58.45 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.219 2.208 . . . . 0.0 112.589 175.207 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.45 -75.03 0.16 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.787 1.235 . . . . 0.0 109.85 167.422 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.5 -61.41 0.81 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.585 1.954 . . . . 0.0 113.682 -165.327 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 69.6 t -42.02 -69.34 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.508 1.123 . . . . 0.0 112.378 -178.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -14.33 58.81 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -177.508 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -64.18 -64.3 0.92 Allowed 'General case' 0 C--O 1.235 0.316 0 O-C-N 120.945 -1.097 . . . . 0.0 110.388 176.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.59 -169.4 1.74 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.336 -0.853 . . . . 0.0 112.728 -168.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 66.94 155.86 0.1 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.645 1.578 . . . . 0.0 114.229 165.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -167.32 52.68 0.07 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.443 1.097 . . . . 0.0 110.072 171.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.4 t -160.89 125.61 3.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.395 1.078 . . . . 0.0 110.261 -177.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.9 mp0 -47.88 -56.43 7.55 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.887 2.475 . . . . 0.0 113.918 -164.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -63.62 -41.32 98.3 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.244 -0.91 . . . . 0.0 111.394 178.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -69.4 -36.43 76.74 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.173 -1.579 . . . . 0.0 109.972 -175.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.88 -39.07 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 117.554 -1.212 . . . . 0.0 111.919 166.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.273 0.6 OUTLIER -64.18 -40.16 95.51 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 121.824 2.102 . . . . 0.0 111.842 178.115 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -54.5 -56.96 13.5 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.174 0.989 . . . . 0.0 110.832 171.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.06 -54.53 43.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.982 0.913 . . . . 0.0 112.652 179.001 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 83.1 mt -54.87 -52.75 39.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 C-N-CA 124.372 1.069 . . . . 0.0 111.082 177.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.51 -36.76 67.06 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.658 -1.276 . . . . 0.0 112.122 176.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 29.2 m -62.76 -59.52 4.77 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.594 -0.691 . . . . 0.0 112.374 171.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.33 -40.83 78.79 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.661 -1.275 . . . . 0.0 112.516 178.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -59.02 -30.25 67.86 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.801 2.041 . . . . 0.0 111.555 170.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.293 93.8 m -78.91 -37.35 40.15 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 119.421 -2.05 . . . . 0.0 114.073 171.359 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -48.36 -62.16 1.63 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.248 0.931 . . . . 0.0 110.594 158.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -53.01 -44.48 67.32 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -52.64 -48.18 66.59 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.8 -1.187 . . . . 0.0 112.953 174.316 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.68 -45.77 50.48 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.834 0.826 . . . . 0.0 112.522 178.496 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -52.55 -46.4 66.79 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.047 -1.658 . . . . 0.0 111.9 173.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -74.36 6.94 3.19 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.655 1.582 . . . . 0.0 113.69 174.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -84.07 -33.68 24.36 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.191 1.396 . . . . 0.0 111.534 165.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -59.63 140.17 56.61 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.677 0.671 . . . . 0.0 111.994 172.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -121.28 125.84 48.05 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.58 1.952 . . . . 0.0 112.505 -165.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 104.17 3.63 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.067 -1.021 . . . . 0.0 110.474 174.749 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -78.97 -17.34 55.59 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.968 -1.082 . . . . 0.0 113.033 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 150.378 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.316 8.1 mp . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 122.869 1.319 . . . . 0.0 111.621 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 t -81.83 -177.22 6.48 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.803 2.041 . . . . 0.0 112.376 166.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.59 -65.2 0.61 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -171.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -57.68 -52.36 65.74 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -177.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.02 -44.1 94.82 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.983 -1.073 . . . . 0.0 112.041 179.054 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.68 -43.97 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 120.746 -1.221 . . . . 0.0 112.168 172.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.28 -45.94 91.56 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.853 0.835 . . . . 0.0 110.902 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.5 t -74.29 -31.82 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 O-C-N 120.924 -1.11 . . . . 0.0 111.911 -179.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -37.6 29.5 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.825 -1.172 . . . . 0.0 113.007 165.555 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.5 -52.04 43.92 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.881 -0.512 . . . . 0.0 109.887 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.6 mt -55.5 -31.72 62.27 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.106 -0.996 . . . . 0.0 112.291 177.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -62.07 -64.88 0.79 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.464 -1.397 . . . . 0.0 113.131 167.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -69.01 -37.05 78.44 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 120.049 1.295 . . . . 0.0 112.069 -171.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -63.48 -20.08 65.28 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.25 -1.531 . . . . 0.0 113.242 167.205 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -87.87 -1.88 58.26 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 119.79 -1.819 . . . . 0.0 112.793 167.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 58.37 46.85 14.72 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.729 2.412 . . . . 0.0 112.516 -167.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.9 mt -109.73 106.29 20.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 125.191 1.396 . . . . 0.0 109.829 167.262 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 133.94 50.5 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.001 -0.679 . . . . 0.0 109.651 165.121 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.6 mm -98.29 128.52 33.07 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.902 0.881 . . . . 0.0 109.603 170.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.04 143.45 25.9 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.952 1.768 . . . . 0.0 109.278 171.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 m -48.77 -36.44 16.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 126.059 1.743 . . . . 0.0 112.066 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.98 -37.22 52.3 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.449 1.899 . . . . 0.0 114.169 175.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.3 mm -60.14 -51.04 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 119.646 -1.909 . . . . 0.0 109.671 168.597 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 63.0 mt -70.84 -27.16 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.824 0.85 . . . . 0.0 111.501 -172.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -47.87 -66.31 0.42 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.855 2.062 . . . . 0.0 110.272 167.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.55 -63.77 1.05 Allowed 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.812 1.645 . . . . 0.0 110.869 178.134 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -53.2 20.76 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -164.274 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.06 -45.89 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.205 1.002 . . . . 0.0 113.431 172.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -23.02 67.23 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.098 -1.001 . . . . 0.0 112.857 178.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -84.64 -50.01 8.04 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.938 0.895 . . . . 0.0 111.685 168.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . 0.26 8.9 ptp85 41.37 73.51 0.13 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 128.296 2.638 . . . . 0.0 114.721 -172.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.6 165.07 10.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.565 1.146 . . . . 0.0 112.186 178.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -77.53 -62.65 1.59 Allowed 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.682 -1.261 . . . . 0.0 110.711 -164.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.4 t -91.61 151.05 20.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 122.756 1.265 . . . . 0.0 113.987 -175.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -34.67 -45.94 0.27 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.717 2.407 . . . . 0.0 112.35 155.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -58.02 -48.68 79.32 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.858 -1.152 . . . . 0.0 112.185 174.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -65.73 -50.16 65.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.053 -0.404 . . . . 0.0 110.648 -177.278 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.4 m -64.07 -37.04 78.8 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.375 178.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.259 0.9 OUTLIER -67.49 -43.13 81.66 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 120.65 1.568 . . . . 0.0 111.782 178.065 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.251 11.4 p30 -69.74 -40.82 75.94 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.795 1.179 . . . . 0.0 112.051 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -58.12 -57.3 13.44 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.837 0.855 . . . . 0.0 112.059 172.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 81.2 mt -52.82 -50.22 43.81 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 121.189 -0.944 . . . . 0.0 111.06 176.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.07 -38.26 70.43 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.953 -1.092 . . . . 0.0 112.446 175.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.4 m -62.87 -57.28 11.39 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.491 -0.756 . . . . 0.0 112.492 171.569 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -60.83 -28.87 69.13 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.566 -1.333 . . . . 0.0 112.825 177.336 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -74.94 -20.86 59.5 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.587 1.955 . . . . 0.0 111.643 171.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.261 95.7 m -76.92 -43.72 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 119.905 -1.747 . . . . 0.0 112.745 164.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -45.46 -63.14 1.02 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.174 0.897 . . . . 0.0 110.449 159.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -55.13 -42.12 72.62 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -31.3 72.44 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 120.218 -1.551 . . . . 0.0 114.105 175.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.61 -47.39 22.49 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 122.551 1.167 . . . . 0.0 111.332 173.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -54.2 -51.65 63.74 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.552 1.541 . . . . 0.0 111.571 176.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -68.75 0.17 4.62 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.532 -1.355 . . . . 0.0 114.059 174.03 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.52 -31.75 24.27 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.363 1.465 . . . . 0.0 112.012 167.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -60.47 146.19 45.6 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.166 0.894 . . . . 0.0 112.145 172.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -124.59 131.18 53.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.798 2.039 . . . . 0.0 111.635 -165.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.0 tp -86.36 105.9 17.03 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.017 -1.052 . . . . 0.0 110.319 174.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -67.7 4.63 1.04 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.35 -1.469 . . . . 0.0 114.108 177.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 126.267 1.827 . . . . 0.0 112.943 178.978 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -124.89 178.11 5.67 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.212 2.605 . . . . 0.0 110.702 171.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.58 -65.07 0.16 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -167.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.8 p -65.04 -56.26 14.1 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -172.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 pm0 -62.89 -33.87 76.2 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.441 1.473 . . . . 0.0 112.262 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.77 -50.96 77.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 O-C-N 120.804 -1.185 . . . . 0.0 111.514 173.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.66 -38.45 69.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.968 1.366 . . . . 0.0 111.483 175.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 t -73.6 -33.15 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.794 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -30.66 65.2 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.135 -0.978 . . . . 0.0 112.988 169.004 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.5 -53.71 8.21 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.256 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.9 mt -49.92 -40.16 42.41 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.295 -0.878 . . . . 0.0 111.601 170.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -55.84 -54.95 38.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 120.801 -1.187 . . . . 0.0 113.264 171.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.265 23.4 mm-40 -73.78 -21.77 60.06 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.89 1.677 . . . . 0.0 113.361 -178.568 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -55.27 -40.12 70.62 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.111 -1.618 . . . . 0.0 111.693 157.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 23.7 p -82.1 6.76 15.34 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 171.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 50.36 53.2 13.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.816 2.046 . . . . 0.0 112.804 -169.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 36.1 mt -114.69 102.6 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 178.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -66.77 123.52 20.36 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 120.96 -1.088 . . . . 0.0 108.623 160.367 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 36.1 mm -88.52 129.06 50.56 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 124.404 1.082 . . . . 0.0 109.865 171.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -51.74 138.19 50.36 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.219 1.946 . . . . 0.0 112.587 172.144 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.5 t -50.34 -44.86 54.58 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.893 0.877 . . . . 0.0 111.581 176.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.88 -43.34 49.25 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.709 1.204 . . . . 0.0 113.738 173.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.9 mm -56.34 -56.63 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 120.949 -1.094 . . . . 0.0 110.264 172.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 60.1 mt -54.25 -44.69 66.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.735 0.814 . . . . 0.0 110.804 -176.495 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -57.35 -59.84 4.53 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.973 174.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.11 -51.74 60.9 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.137 -0.977 . . . . 0.0 110.842 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.64 -49.26 57.36 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.472 0.709 . . . . 0.0 112.867 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.36 -30.85 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 124.073 0.949 . . . . 0.0 112.752 175.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.25 -55.4 10.65 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.847 -1.158 . . . . 0.0 112.27 168.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -65.35 -37.29 86.59 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -174.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 54.79 75.52 0.3 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.154 1.381 . . . . 0.0 114.181 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.07 154.54 29.34 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.434 -0.791 . . . . 0.0 109.696 161.554 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.66 -56.49 2.77 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -164.18 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 6.7 p -87.9 157.81 18.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.107 1.321 . . . . 0.0 113.928 178.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -44.09 -49.92 8.7 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.806 2.042 . . . . 0.0 111.7 174.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.55 -45.31 73.44 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.438 1.095 . . . . 0.0 111.984 -178.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -67.27 -48.72 66.87 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.703 0.401 . . . . 0.0 110.937 -176.186 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.78 -43.6 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.171 178.435 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.306 3.9 pp -65.4 -30.15 70.93 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.501 -1.374 . . . . 0.0 113.38 177.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.4 -60.06 3.86 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.692 -1.255 . . . . 0.0 111.804 171.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.93 -44.27 86.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.628 0.371 . . . . 0.0 111.205 -179.087 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 92.3 mt -58.6 -53.85 41.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.319 -0.863 . . . . 0.0 113.009 173.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.81 -39.03 65.17 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 121.229 1.831 . . . . 0.0 112.095 175.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 22.5 m -62.39 -62.58 1.65 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.004 0.922 . . . . 0.0 112.529 175.056 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -55.9 -35.75 66.91 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.664 1.186 . . . . 0.0 112.108 177.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -65.37 -30.43 71.26 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 119.622 -1.924 . . . . 0.0 111.754 173.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.268 54.5 m -73.18 -36.73 66.64 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.694 -1.254 . . . . 0.0 114.111 168.522 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.48 -62.05 1.76 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.442 1.019 . . . . 0.0 110.565 159.373 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -50.33 -47.17 55.9 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -48.48 -55.05 12.0 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.853 -1.155 . . . . 0.0 113.073 171.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.3 -40.97 98.84 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.212 -0.93 . . . . 0.0 112.094 177.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -59.04 -35.54 73.49 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.566 -1.334 . . . . 0.0 112.213 175.115 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -72.81 -11.41 60.59 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 120.038 -1.664 . . . . 0.0 113.188 171.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -94.39 -43.37 8.41 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.069 1.747 . . . . 0.0 112.398 -174.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -43.74 145.6 0.65 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -176.277 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 134.14 56.75 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.019 1.728 . . . . 0.0 114.928 174.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.05 124.49 49.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.685 1.194 . . . . 0.0 109.243 154.585 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.31 26.85 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -179.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 126.809 2.044 . . . . 0.0 114.122 -173.17 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.7 ttm 48.66 49.23 18.97 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.15 1.38 . . . . 0.0 112.408 -175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.35 148.01 7.25 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.702 2.001 . . . . 0.0 115.703 -170.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -72.02 66.68 0.6 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.379 1.472 . . . . 0.0 112.649 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 t -72.12 58.61 0.37 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.427 1.091 . . . . 0.0 112.469 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.39 127.93 41.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 O-C-N 120.576 -1.327 . . . . 0.0 111.566 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 46.53 47.13 14.45 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 166.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.64 111.25 2.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.836 0.854 . . . . 0.0 111.14 173.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 t -61.38 162.37 7.97 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.549 -0.719 . . . . 0.0 110.762 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.81 80.93 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.725 -1.234 . . . . 0.0 113.147 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.5 p -65.95 -49.03 69.33 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.935 -1.103 . . . . 0.0 112.686 171.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -55.62 -55.12 35.83 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.335 -0.853 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.85 -41.41 79.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.888 1.275 . . . . 0.0 111.648 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.81 75.83 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 122.074 0.94 . . . . 0.0 111.572 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 19.1 t -74.22 -38.93 48.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 O-C-N 120.654 -1.279 . . . . 0.0 111.577 -176.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.37 -41.27 2.8 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.654 1.582 . . . . 0.0 113.175 165.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.96 -54.13 24.94 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.0 mt -48.96 -41.52 34.36 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.713 -0.617 . . . . 0.0 112.513 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -57.28 -65.18 0.67 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.921 1.237 . . . . 0.0 112.93 171.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.28 -41.19 98.98 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.425 0.557 . . . . 0.0 110.05 -171.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -61.03 -37.19 81.73 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.418 -1.426 . . . . 0.0 113.271 168.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.6 m -65.25 -8.47 17.87 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 119.58 -1.95 . . . . 0.0 113.471 168.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 73.66 23.94 2.29 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 129.162 2.985 . . . . 0.0 112.835 -172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mp -93.54 100.75 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.43 131.95 46.18 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.229 171.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.5 mm -92.16 129.7 40.56 Favored Pre-proline 0 CA--C 1.548 0.88 0 O-C-N 121.821 -0.549 . . . . 0.0 111.268 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -58.63 124.23 15.32 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.328 2.019 . . . . 0.0 110.423 165.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.2 p -49.82 -37.79 31.96 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.09 -54.21 3.67 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.509 1.123 . . . . 0.0 113.665 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 pt -73.95 -20.75 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 120.428 -1.42 . . . . 0.0 113.67 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.61 -45.95 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.89 1.223 . . . . 0.0 109.44 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.85 -49.0 59.92 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.986 1.714 . . . . 0.0 111.564 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.41 -61.69 2.41 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.304 1.042 . . . . 0.0 110.733 171.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.17 -50.43 58.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.553 0.741 . . . . 0.0 112.233 -171.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.07 -38.37 29.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.026 1.33 . . . . 0.0 112.689 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -46.06 68.52 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.569 1.148 . . . . 0.0 112.33 173.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -58.64 -41.84 86.93 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.268 0.556 . . . . 0.0 112.032 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 58.18 69.39 0.74 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.468 1.507 . . . . 0.0 114.314 170.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.6 mt -78.54 175.58 10.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.412 1.085 . . . . 0.0 112.447 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -94.1 -49.85 5.57 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.792 1.237 . . . . 0.0 112.058 -173.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.5 t -124.14 152.39 42.86 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -164.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -40.71 -48.35 2.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 129.276 3.03 . . . . 0.0 112.021 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -63.42 -42.84 98.74 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.518 -0.739 . . . . 0.0 112.755 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -64.72 -46.49 82.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.314 -0.866 . . . . 0.0 111.008 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.68 -44.84 93.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 O-C-N 121.909 -0.495 . . . . 0.0 110.277 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.8 pp -64.67 -31.6 72.89 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 120.783 -1.198 . . . . 0.0 112.46 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.39 -61.25 2.22 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.69 1.132 . . . . 0.0 110.476 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -50.31 -58.81 4.82 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.842 1.257 . . . . 0.0 111.273 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 77.5 mt -51.49 -49.09 34.02 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 O-C-N 121.637 -0.664 . . . . 0.0 111.438 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.34 -42.92 99.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 120.635 1.561 . . . . 0.0 113.012 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.1 p -59.61 -51.76 68.45 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.43 -0.794 . . . . 0.0 111.572 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.34 -32.92 73.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 123.16 1.457 . . . . 0.0 112.374 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -70.4 -19.36 63.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.433 -2.042 . . . . 0.0 112.361 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.7 m -90.07 -37.49 14.23 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.094 -1.629 . . . . 0.0 113.077 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -44.86 -54.47 6.38 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.144 0.884 . . . . 0.0 110.149 154.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -50.25 66.14 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 178.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -49.45 -48.26 47.66 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.976 -1.078 . . . . 0.0 113.015 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.3 mt -58.62 -55.08 39.67 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.16 0.891 . . . . 0.0 112.603 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -64.02 -17.23 63.14 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.231 -1.543 . . . . 0.0 113.942 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -84.39 -18.17 36.96 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 119.77 -1.831 . . . . 0.0 112.757 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -99.1 -50.06 4.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.095 2.158 . . . . 0.0 112.799 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -49.14 146.91 3.25 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -167.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -42.66 109.71 0.15 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 129.179 2.992 . . . . 0.0 114.85 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 18.5 tp -103.29 118.74 37.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.814 1.188 . . . . 0.0 109.554 142.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.74 28.93 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? 65.0 -60.26 0.24 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.746 2.018 . . . . 0.0 114.116 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.68 -80.69 0.66 Allowed Glycine 0 CA--C 1.534 1.225 0 O-C-N 121.404 -0.81 . . . . 0.0 112.384 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 91.6 p -79.44 49.59 1.02 Allowed 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.364 -1.08 . . . . 0.0 112.601 -176.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -70.61 149.84 46.65 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -174.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 87.4 mttt . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 125.914 1.686 . . . . 0.0 111.071 179.034 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 . . . . . 0 CA--C 1.547 0.845 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 51.5 ttp -74.65 68.18 1.63 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.026 0.93 . . . . 0.0 110.914 173.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -127.62 166.02 18.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.328 1.851 . . . . 0.0 110.44 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.88 44.48 0.06 Allowed 'General case' 0 CA--C 1.55 0.969 0 O-C-N 121.191 -0.943 . . . . 0.0 113.339 164.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 16.4 m -158.19 69.7 0.52 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.783 2.433 . . . . 0.0 107.375 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 45.6 t -85.67 -66.53 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 124.64 1.176 . . . . 0.0 110.66 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -161.93 73.36 0.41 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.482 1.513 . . . . 0.0 110.384 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.291 6.8 mp 70.87 68.22 0.18 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 123.608 1.67 . . . . 0.0 111.351 -171.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.94 173.47 7.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 128.32 2.648 . . . . 0.0 111.155 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.52 -66.01 0.14 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.0 p -59.5 -58.37 8.89 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -63.01 -33.5 75.56 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.543 -1.348 . . . . 0.0 112.504 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.59 -49.95 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 121.214 -0.929 . . . . 0.0 111.323 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.12 69.64 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 122.324 1.059 . . . . 0.0 111.224 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.75 -37.03 54.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.624 -0.672 . . . . 0.0 112.66 176.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.57 -36.17 77.85 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 167.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.58 -51.14 53.93 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 53.9 mt -47.42 -50.85 21.72 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.0 -1.063 . . . . 0.0 112.27 170.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -47.14 -54.37 10.75 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.826 1.194 . . . . 0.0 112.783 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.251 6.8 mm-40 -83.73 -27.11 29.18 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -171.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -48.27 -46.43 35.82 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.286 -1.509 . . . . 0.0 109.636 154.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.77 -12.51 60.42 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.401 0.1 OUTLIER 63.87 51.41 2.36 Favored 'General case' 0 CA--C 1.546 0.81 1 C-N-CA 132.294 4.237 . . . . 0.0 116.066 -169.717 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.11 105.83 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.168 1.387 . . . . 0.0 111.331 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.49 130.03 40.8 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.076 -1.015 . . . . 0.0 110.372 171.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 31.8 mm -93.94 132.62 29.21 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 120.912 -1.118 . . . . 0.0 111.583 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -62.76 131.11 31.84 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.674 2.249 . . . . 0.0 110.936 166.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 34.6 p -41.0 -48.29 3.18 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.344 1.058 . . . . 0.0 111.686 167.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.07 -48.03 1.61 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 173.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 22.2 mm -51.98 -53.42 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 121.484 -0.76 . . . . 0.0 110.581 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -68.95 -46.04 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.201 1.0 . . . . 0.0 110.555 -172.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.26 -26.97 31.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 128.317 2.647 . . . . 0.0 113.975 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -84.58 -74.92 0.37 Allowed 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.553 1.141 . . . . 0.0 110.336 163.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.74 -55.78 2.33 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 127.484 2.314 . . . . 0.0 113.469 -169.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -17.08 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -172.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -77.46 -52.51 8.98 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.029 -1.044 . . . . 0.0 112.151 168.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -59.88 -28.49 67.59 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.352 1.061 . . . . 0.0 113.282 -168.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER 57.33 107.54 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.727 2.011 . . . . 0.0 115.539 177.228 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 72.6 mt -107.52 171.75 7.21 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.745 -1.222 . . . . 0.0 112.108 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -74.22 -39.37 63.14 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -158.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 9.4 t -171.22 -178.83 2.5 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.9 1.28 . . . . 0.0 109.603 -165.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -65.02 -51.44 61.55 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.216 1.406 . . . . 0.0 112.025 -159.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -58.42 -34.09 70.4 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.029 -1.044 . . . . 0.0 111.922 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -72.87 -40.22 65.8 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.716 1.206 . . . . 0.0 110.79 -173.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.49 -47.01 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.538 166.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.259 1.2 pp -63.69 -34.31 77.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.38 1.445 . . . . 0.0 112.422 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.9 -57.96 9.03 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.92 0.888 . . . . 0.0 110.459 170.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.2 -54.1 50.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.085 0.554 . . . . 0.0 112.311 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 93.5 mt -51.47 -54.14 13.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 123.558 0.743 . . . . 0.0 111.213 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -55.25 -36.66 66.29 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.075 -1.015 . . . . 0.0 112.6 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 39.3 m -63.28 -59.84 4.19 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.577 -0.702 . . . . 0.0 112.415 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.39 -34.76 72.83 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-O 122.644 1.212 . . . . 0.0 112.258 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -63.17 -36.55 84.0 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.309 1.844 . . . . 0.0 111.468 170.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 58.4 m -69.38 -41.85 75.95 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 120.975 -1.078 . . . . 0.0 113.35 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -48.07 -55.9 9.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.563 0.62 . . . . 0.0 110.717 160.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -54.65 -42.04 70.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.281 15.4 pttm -62.11 -51.68 66.94 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.326 1.875 . . . . 0.0 113.605 171.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.69 -31.06 71.85 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.947 1.248 . . . . 0.0 112.412 -175.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -62.7 -53.97 46.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.321 1.448 . . . . 0.0 111.488 168.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.2 -3.85 22.42 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 120.249 -1.532 . . . . 0.0 114.732 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.31 -40.01 58.92 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.312 2.245 . . . . 0.0 113.039 162.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -56.35 152.62 10.95 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -168.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 103.69 14.04 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 -172.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 15.5 tp -87.25 112.9 22.49 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.288 -1.508 . . . . 0.0 108.829 154.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -70.67 29.85 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.99 1.716 . . . . 0.0 114.843 -175.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.73 -64.67 0.27 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.814 1.646 . . . . 0.0 114.33 177.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.84 -66.31 0.84 Allowed Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.222 0.915 . . . . 0.0 114.398 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 49.7 m -75.4 64.92 1.61 Allowed 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.393 -1.063 . . . . 0.0 113.769 -171.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.47 61.32 0.92 Allowed 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.073 -1.017 . . . . 0.0 110.945 172.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 CA--C 1.537 0.461 0 C-N-CA 125.011 1.324 . . . . 0.0 112.176 -175.743 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 120.534 0.207 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.4 ttm -41.96 120.23 1.51 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.603 1.161 . . . . 0.0 113.079 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -79.77 50.25 1.14 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.362 1.865 . . . . 0.0 113.11 -172.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -144.96 134.69 23.47 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.343 1.457 . . . . 0.0 110.637 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 m -72.42 61.18 0.48 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.06 1.344 . . . . 0.0 113.031 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.9 t -74.02 95.08 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 O-C-N 120.716 -1.24 . . . . 0.0 110.554 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.3 103.54 0.08 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.175 1.39 . . . . 0.0 112.408 172.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.8 mp 61.91 68.46 0.69 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 123.156 1.455 . . . . 0.0 111.256 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -71.84 167.93 18.96 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.887 1.275 . . . . 0.0 112.177 166.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.59 -49.25 14.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.808 1.243 . . . . 0.0 113.671 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.41 -66.2 0.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -61.28 -31.24 71.07 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 120.278 -1.514 . . . . 0.0 112.287 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.98 -48.63 87.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 119.054 0.843 . . . . 0.0 111.037 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.45 79.86 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 122.074 0.94 . . . . 0.0 111.768 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 t -73.26 -34.92 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 O-C-N 120.721 -1.237 . . . . 0.0 112.16 173.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.31 -36.8 81.09 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.938 1.695 . . . . 0.0 113.706 172.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.15 -56.58 17.4 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.78 -33.39 70.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -56.29 -53.64 54.9 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 120.957 -1.089 . . . . 0.0 111.249 170.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -72.44 -27.84 62.57 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.905 1.229 . . . . 0.0 112.94 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -56.65 -38.35 72.03 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.08 -1.638 . . . . 0.0 111.915 161.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.0 p -81.23 5.43 17.08 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.956 -1.09 . . . . 0.0 113.868 170.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 47.38 54.25 9.82 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.788 2.035 . . . . 0.0 112.498 -171.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 17.8 mt -113.15 109.0 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 125.986 1.714 . . . . 0.0 111.949 175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -68.45 125.77 27.51 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.092 -1.005 . . . . 0.0 108.522 161.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.6 mm -84.68 127.16 66.49 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 120.811 -1.181 . . . . 0.0 109.111 166.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -52.28 134.05 49.74 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 121.206 1.271 . . . . 0.0 111.314 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.5 m -44.69 -44.36 9.06 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 124.871 1.268 . . . . 0.0 110.219 165.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.26 12.24 0.09 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.33 1.852 . . . . 0.0 115.463 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.9 mm -101.52 -54.27 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.214 -1.553 . . . . 0.0 108.432 157.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.29 -40.74 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 125.443 1.497 . . . . 0.0 110.518 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -30.07 -68.58 0.07 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.006 2.123 . . . . 0.0 112.845 164.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.76 -51.21 17.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.735 1.214 . . . . 0.0 112.134 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.37 -49.78 12.77 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.91 1.284 . . . . 0.0 112.641 -170.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.7 t -53.52 -39.41 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.978 0.911 . . . . 0.0 113.21 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -77.8 -48.81 15.65 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.537 1.135 . . . . 0.0 112.488 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -56.52 -31.81 64.48 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.506 0.669 . . . . 0.0 111.284 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? 60.58 52.01 4.78 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.741 1.216 . . . . 0.0 112.465 157.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.48 165.92 17.97 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.387 -0.821 . . . . 0.0 111.018 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -101.55 -47.51 4.63 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -162.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.1 p -108.96 164.6 12.26 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.659 1.183 . . . . 0.0 113.273 -175.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -49.44 -41.14 39.18 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 170.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -61.03 -43.29 99.1 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 121.402 -0.811 . . . . 0.0 112.41 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -68.22 -51.95 39.68 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.751 0.31 . . . . 0.0 110.93 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.1 m -64.9 -39.51 85.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.284 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.18 -44.39 92.18 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 120.196 1.362 . . . . 0.0 111.731 177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -71.57 -43.53 66.17 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 118.04 -1.464 . . . . 0.0 111.923 -176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -61.34 -51.12 70.16 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.832 -0.543 . . . . 0.0 111.517 174.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 80.2 mt -53.82 -54.39 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 O-C-N 121.255 -0.903 . . . . 0.0 112.003 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' B' ' 123' ' ' LYS . 38.1 mt-10 -59.5 -38.67 81.51 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.165 -1.585 . . . . 0.0 112.687 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.5 m -58.03 -58.03 10.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.287 -0.883 . . . . 0.0 112.148 171.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -54.98 -39.57 69.13 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.167 -0.958 . . . . 0.0 112.185 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 23.2 ttt-85 -61.95 -27.83 69.11 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 119.984 -1.697 . . . . 0.0 111.499 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.265 89.0 m -78.57 -34.96 46.56 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 167.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -59.36 3.95 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.318 1.417 . . . . 0.0 110.041 159.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -52.69 -47.45 67.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -45.06 -48.56 11.8 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.74 -1.225 . . . . 0.0 112.808 169.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.95 -42.85 84.51 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.206 -0.934 . . . . 0.0 112.874 174.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.48 -15.26 62.47 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.042 -1.662 . . . . 0.0 113.489 171.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -84.93 -2.94 58.47 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 119.516 -1.99 . . . . 0.0 113.198 167.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -116.94 -45.53 2.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.482 1.913 . . . . 0.0 112.301 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -52.11 148.86 5.75 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -42.44 100.1 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.198 2.999 . . . . 0.0 114.908 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' B' ' 79' ' ' TYR . 4.4 tt -80.56 116.68 20.72 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.813 1.642 . . . . 0.0 107.182 141.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -72.2 36.54 0.07 Allowed 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 54.85 -71.31 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.011 2.125 . . . . 0.0 113.649 -168.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.29 -69.76 0.15 Allowed Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.401 1.001 . . . . 0.0 111.532 -173.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 61.9 m -54.49 89.26 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.445 1.498 . . . . 0.0 111.779 162.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 92.2 mt -122.5 57.43 1.09 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.163 1.785 . . . . 0.0 108.606 165.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 19.7 tttp . . . . . 0 CA--C 1.544 0.741 0 C-N-CA 125.384 1.474 . . . . 0.0 113.583 -167.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -75.15 68.35 1.9 Allowed 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.972 -1.08 . . . . 0.0 112.49 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -157.09 167.13 31.32 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.778 1.631 . . . . 0.0 111.108 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -46.12 133.22 9.28 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.053 2.541 . . . . 0.0 113.774 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 40.3 p -75.65 62.34 1.45 Allowed 'General case' 0 CA--C 1.538 0.49 0 O-C-N 120.871 -1.143 . . . . 0.0 110.729 168.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 77.0 t -130.94 136.89 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 125.372 1.469 . . . . 0.0 110.418 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -64.12 130.49 44.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.795 0.838 . . . . 0.0 112.291 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . 0.472 ' H ' ' CG2' ' B' ' 95' ' ' VAL . 2.8 mp 50.58 66.4 1.17 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 123.194 1.473 . . . . 0.0 111.547 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -78.44 -176.53 4.81 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.409 1.1 . . . . 0.0 112.455 169.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.11 -58.39 7.19 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.839 1.256 . . . . 0.0 114.384 -168.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.8 p -62.5 -50.04 72.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -63.91 -41.56 97.64 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.115 -0.991 . . . . 0.0 111.77 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.4 -45.31 99.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 O-C-N 121.051 -1.031 . . . . 0.0 111.509 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.67 89.5 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 122.174 0.988 . . . . 0.0 110.947 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.05 -35.96 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 O-C-N 121.404 -0.81 . . . . 0.0 111.851 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -48.12 77.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.515 1.126 . . . . 0.0 112.094 172.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.11 -48.32 82.02 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.705 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.88 -29.48 68.35 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.18 -0.95 . . . . 0.0 112.818 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.46 ' CD1' HD12 ' A' ' 124' ' ' LEU . 58.6 m-85 -58.32 -56.5 21.29 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 120.779 1.627 . . . . 0.0 112.277 165.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -73.58 -39.51 64.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.695 1.134 . . . . 0.0 113.235 -173.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -57.89 -24.11 56.2 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.089 -1.632 . . . . 0.0 112.529 164.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.4 m -82.24 -15.77 51.9 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.088 -1.633 . . . . 0.0 115.401 166.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 80.53 44.53 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 130.49 3.516 . . . . 0.0 113.363 -173.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.76 125.76 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 126.324 1.849 . . . . 0.0 108.603 173.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.49 155.16 23.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.917 1.235 . . . . 0.0 109.78 161.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 8.6 mm -105.7 130.26 23.33 Favored Pre-proline 0 N--CA 1.469 0.513 0 O-C-N 120.72 -1.238 . . . . 0.0 110.344 170.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -56.44 126.99 24.13 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.799 1.666 . . . . 0.0 111.061 171.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 87.6 p -49.66 -35.87 22.86 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.248 0.619 . . . . 0.0 111.189 171.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -52.51 -18.8 1.86 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 pt -106.01 -24.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.367 -1.458 . . . . 0.0 112.442 173.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.4 mt -63.24 -38.21 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 O-C-N 121.049 -1.032 . . . . 0.0 110.268 164.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -35.82 -52.12 0.71 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.398 2.679 . . . . 0.0 112.649 170.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.75 -65.19 1.02 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.874 2.07 . . . . 0.0 111.146 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -52.02 -43.93 63.92 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.619 1.168 . . . . 0.0 113.48 -166.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . 0.472 ' CG2' ' H ' ' B' ' 68' ' ' LEU . 0.5 OUTLIER -65.73 -12.61 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -177.38 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.73 -46.99 10.19 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.207 -0.933 . . . . 0.0 110.982 162.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -49.14 -46.27 44.93 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.147 0.979 . . . . 0.0 112.448 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 50.92 76.19 0.16 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.388 1.075 . . . . 0.0 112.608 169.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.82 164.21 22.87 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.246 1.018 . . . . 0.0 110.197 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -75.21 -62.38 1.58 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.845 -1.159 . . . . 0.0 110.707 -172.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 48.0 t -92.92 151.56 19.87 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -34.87 -46.26 0.3 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.001 2.52 . . . . 0.0 111.51 156.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -60.7 -48.89 79.75 Favored 'General case' 0 C--O 1.223 -0.312 0 O-C-N 121.316 -0.865 . . . . 0.0 111.467 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.37 -48.06 79.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.204 -0.935 . . . . 0.0 111.139 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 25.9 m -66.46 -38.84 82.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.823 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.82 -39.27 87.64 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.903 1.683 . . . . 0.0 111.534 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.0 -54.63 44.71 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.3 0.954 . . . . 0.0 110.349 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -60.14 -55.45 33.72 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.262 1.025 . . . . 0.0 112.059 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.2 mt -54.31 -47.61 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.779 0.832 . . . . 0.0 111.744 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.81 -36.83 75.12 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 120.311 -1.493 . . . . 0.0 112.117 174.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 39.5 m -63.83 -55.27 24.14 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.007 -1.058 . . . . 0.0 112.606 172.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -51.87 -45.24 64.03 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 123.31 1.529 . . . . 0.0 112.124 171.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -62.26 -21.34 65.12 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 119.627 -1.921 . . . . 0.0 111.659 173.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.272 63.4 m -80.8 -38.46 28.41 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 119.343 -2.098 . . . . 0.0 114.101 165.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.9 -57.44 4.35 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.784 1.174 . . . . 0.0 110.556 158.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -57.53 -39.12 75.89 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -55.68 -50.21 70.87 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.44 -1.412 . . . . 0.0 112.595 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.68 -49.64 75.69 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.251 0.932 . . . . 0.0 111.503 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -51.83 -55.59 19.07 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.777 -1.202 . . . . 0.0 112.155 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -70.49 -4.22 21.75 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.69 -1.256 . . . . 0.0 113.782 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -84.78 -26.49 27.51 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.725 1.61 . . . . 0.0 112.887 163.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.74 140.47 58.74 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.343 1.429 . . . . 0.0 111.32 168.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 110' ' ' GLU . 8.7 tmtm? -116.56 128.7 55.66 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.08 1.752 . . . . 0.0 111.235 -175.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 21.9 tp -77.29 93.01 3.94 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.716 -1.24 . . . . 0.0 110.563 175.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -67.64 -10.65 54.06 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.568 -1.333 . . . . 0.0 113.948 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 70.42 -60.77 0.48 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.669 1.988 . . . . 0.0 115.796 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.62 -68.44 0.41 Allowed Glycine 0 CA--C 1.538 1.49 0 O-C-N 121.019 -1.051 . . . . 0.0 111.177 -162.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 22.4 t -68.87 76.59 0.31 Allowed 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.994 -1.298 . . . . 0.0 111.465 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 32.5 tp -62.26 143.94 56.22 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.228 -0.92 . . . . 0.0 109.266 159.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 123.964 0.905 . . . . 0.0 110.995 172.654 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -73.83 66.11 1.1 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.845 1.258 . . . . 0.0 111.861 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -54.67 125.9 21.73 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.422 1.489 . . . . 0.0 113.577 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.31 48.67 1.85 Allowed 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 122.802 1.286 . . . . 0.0 109.256 164.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.7 m -153.43 -47.72 0.09 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.079 0.952 . . . . 0.0 112.066 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.4 t -89.3 -9.13 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 125.18 1.392 . . . . 0.0 110.833 170.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -32.37 139.64 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.18 2.592 . . . . 0.0 115.733 170.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.1 mt 55.63 60.34 3.37 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.856 1.312 . . . . 0.0 111.393 -169.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -74.6 168.69 19.29 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.801 1.24 . . . . 0.0 111.56 165.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.46 -54.66 3.77 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.0 p -59.92 -57.45 12.82 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.2 pm0 -63.11 -32.62 74.04 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.523 -1.361 . . . . 0.0 112.324 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.39 -48.6 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 120.853 -1.154 . . . . 0.0 111.747 172.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.87 -37.64 66.51 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 122.245 1.022 . . . . 0.0 111.28 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.26 57.4 t -80.33 -37.21 16.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.75 -45.77 14.72 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.773 -1.205 . . . . 0.0 113.59 161.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -70.41 -45.69 65.42 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.767 -0.583 . . . . 0.0 110.135 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.5 mt -47.78 -38.1 14.96 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.087 -1.633 . . . . 0.0 112.692 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.404 ' CE1' HD13 ' B' ' 124' ' ' LEU . 37.1 m-85 -59.01 -59.64 5.14 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.676 -1.265 . . . . 0.0 113.657 168.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -84.63 -26.33 27.93 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -168.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -44.15 -49.19 9.12 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 123.014 1.388 . . . . 0.0 109.85 152.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 t -82.63 -0.68 48.23 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.16 38.25 1.96 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.359 2.664 . . . . 0.0 112.455 173.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.4 mt -103.06 113.19 39.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 125.953 1.701 . . . . 0.0 112.588 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -67.14 132.21 47.37 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.146 -0.971 . . . . 0.0 110.154 162.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mm -95.11 123.51 56.96 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 123.909 0.884 . . . . 0.0 109.723 167.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -67.94 104.39 1.0 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 N-CA-C 108.36 -1.439 . . . . 0.0 108.36 168.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -42.99 -22.65 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.148 2.579 . . . . 0.0 117.107 -168.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -43.86 -50.59 7.9 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.53 1.059 . . . . 0.0 112.403 165.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 mm -38.02 -54.71 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.035 1.334 . . . . 0.0 111.674 166.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.4 mt -73.04 -45.7 53.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 124.384 1.074 . . . . 0.0 110.085 -171.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -48.51 -57.49 6.07 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.036 0.935 . . . . 0.0 111.319 173.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -59.25 -56.54 20.86 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.868 0.842 . . . . 0.0 110.686 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.69 -47.56 76.56 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.146 -0.972 . . . . 0.0 112.263 -175.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.51 -48.35 58.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.439 1.096 . . . . 0.0 112.031 169.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -56.59 -37.38 70.55 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.001 0.819 . . . . 0.0 113.025 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -79.11 -63.96 1.29 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.3 113.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.789 2.436 . . . . 0.0 114.322 -166.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -92.86 179.23 5.52 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.113 0.965 . . . . 0.0 109.378 158.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -81.72 -46.97 13.52 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.22 -0.925 . . . . 0.0 112.636 -167.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 t -129.5 160.19 33.96 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -170.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -36.39 -51.51 0.81 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.781 2.433 . . . . 0.0 113.338 171.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.95 -39.86 87.0 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.022 -1.048 . . . . 0.0 112.418 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.89 -47.61 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.89 -0.506 . . . . 0.0 110.503 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.1 m -65.72 -36.15 76.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.073 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.1 pp -63.78 -39.99 95.59 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.389 1.449 . . . . 0.0 111.059 173.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -57.81 -54.57 45.36 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.188 0.903 . . . . 0.0 111.647 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -56.22 -58.71 6.8 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.304 1.041 . . . . 0.0 112.02 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -50.82 -52.11 18.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 123.843 0.857 . . . . 0.0 110.737 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.71 -40.28 75.37 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 120.672 -1.267 . . . . 0.0 112.46 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 35.1 m -60.58 -55.13 37.07 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.218 -0.926 . . . . 0.0 112.225 171.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.17 -32.89 73.57 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.127 1.371 . . . . 0.0 112.313 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -67.24 -24.42 65.81 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.046 2.538 . . . . 0.0 111.061 169.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.259 88.1 m -83.47 -38.09 22.3 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 119.253 -2.154 . . . . 0.0 113.741 169.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -48.8 -57.08 6.93 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.36 0.982 . . . . 0.0 111.016 160.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -54.66 -41.22 69.88 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -53.65 -47.09 70.67 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.783 -1.823 . . . . 0.0 113.066 167.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -49.03 79.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.126 0.57 . . . . 0.0 110.799 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -54.1 -41.66 68.55 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 120.356 -1.465 . . . . 0.0 112.719 171.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -72.55 -11.77 60.79 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.618 -1.301 . . . . 0.0 113.179 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -48.18 6.51 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.112 1.765 . . . . 0.0 112.286 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -31.56 130.98 0.12 Allowed 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -173.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -46.66 132.68 10.92 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.119 1.768 . . . . 0.0 114.904 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.83 123.13 39.29 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.266 1.426 . . . . 0.0 108.907 158.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -74.49 25.6 0.08 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? 64.95 -60.74 0.23 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.473 1.909 . . . . 0.0 114.582 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.04 -70.04 1.02 Allowed Glycine 0 CA--C 1.535 1.306 0 O-C-N 121.259 -0.901 . . . . 0.0 112.455 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.4 t -77.1 74.03 3.68 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.273 -1.134 . . . . 0.0 111.929 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.65 62.36 1.04 Allowed 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.904 -1.122 . . . . 0.0 110.946 171.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.489 0 C-N-CA 125.659 1.584 . . . . 0.0 111.121 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 81.9 t60 . . . . . 0 CA--C 1.541 0.609 0 CA-C-O 121.305 0.574 . . . . 0.0 111.81 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 57.4 mtm -69.58 80.7 0.41 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.811 0.844 . . . . 0.0 109.808 170.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -68.92 156.03 39.24 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -162.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -120.5 73.23 0.99 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.896 1.678 . . . . 0.0 110.139 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t 44.31 -135.88 0.54 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.034 1.334 . . . . 0.0 114.18 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.91 157.72 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 C-N-CA 125.25 1.42 . . . . 0.0 114.115 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -53.13 129.52 31.35 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.869 -1.145 . . . . 0.0 109.073 164.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp 64.35 82.75 0.18 Allowed 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 122.053 0.93 . . . . 0.0 112.962 -172.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.1 t -103.95 -175.96 2.95 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.259 -0.901 . . . . 0.0 112.124 167.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.74 -67.89 0.19 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -163.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 85.8 m -61.22 -52.24 65.62 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.378 -0.827 . . . . 0.0 112.579 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -61.88 -38.8 89.68 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.667 -1.27 . . . . 0.0 112.426 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.0 -47.19 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 O-C-N 120.951 -1.093 . . . . 0.0 111.308 169.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.3 64.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.199 1.0 . . . . 0.0 111.666 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.43 -39.37 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 O-C-N 121.44 -0.787 . . . . 0.0 112.777 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -51.95 -41.1 61.8 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 164.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.08 -48.26 66.03 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 23.0 mt -47.18 -40.33 15.72 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 119.895 -1.753 . . . . 0.0 112.953 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -57.28 -62.11 2.0 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.514 -1.366 . . . . 0.0 113.485 169.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -82.07 -29.02 32.07 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.027 1.285 . . . . 0.0 114.176 -168.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -42.85 -55.25 3.77 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 122.926 1.346 . . . . 0.0 109.754 156.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 13.8 t -64.15 -47.7 78.88 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.773 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 124.14 34.87 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 131.643 3.977 . . . . 0.0 113.791 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 94.6 mt -105.49 115.7 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.817 1.647 . . . . 0.0 113.87 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -75.9 133.71 40.46 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.23 -0.919 . . . . 0.0 111.254 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 7.8 mm -103.61 134.52 19.7 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.283 1.433 . . . . 0.0 111.266 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -78.66 98.32 1.19 Allowed 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.274 1.982 . . . . 0.0 110.045 170.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -26.94 -41.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 128.867 2.867 . . . . 0.0 118.093 -174.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -32.18 -55.14 0.32 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.31 1.444 . . . . 0.0 113.851 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 25.2 pt -64.7 -36.01 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 120.988 -1.07 . . . . 0.0 113.152 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 47.4 mt -60.65 -47.22 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 O-C-N 121.288 -0.883 . . . . 0.0 110.238 172.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -57.58 -60.59 3.44 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.947 0.404 . . . . 0.0 111.031 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.15 -44.42 83.4 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.812 -1.18 . . . . 0.0 110.704 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.98 -43.79 73.84 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.132 -0.98 . . . . 0.0 112.199 177.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.2 t -57.24 -47.75 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 O-C-N 120.746 -1.221 . . . . 0.0 113.121 167.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -55.31 -48.69 73.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.263 0.938 . . . . 0.0 112.954 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -68.59 -56.83 6.95 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 120.302 -1.499 . . . . 0.0 111.608 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 69.13 72.63 0.26 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.84 2.856 . . . . 0.0 115.058 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.98 156.7 30.42 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.4 -0.813 . . . . 0.0 111.059 163.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -87.18 -65.89 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 120.971 -1.081 . . . . 0.0 111.925 -158.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 14.9 t -88.25 156.93 18.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.111 0.958 . . . . 0.0 113.492 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -42.82 -46.95 5.42 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.459 1.904 . . . . 0.0 111.694 173.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -61.06 -44.07 97.93 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.329 -0.857 . . . . 0.0 111.868 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -64.8 -49.47 70.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.463 -0.773 . . . . 0.0 110.947 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.0 m -65.66 -40.08 86.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.384 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.291 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.269 1.3 pp -64.34 -39.98 94.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.105 1.32 . . . . 0.0 111.638 174.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.39 -53.77 53.49 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.721 1.146 . . . . 0.0 110.831 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -59.04 -59.68 5.08 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.835 1.254 . . . . 0.0 112.431 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.4 -51.15 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.026 0.93 . . . . 0.0 110.695 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.51 -40.11 74.47 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.586 -1.321 . . . . 0.0 112.765 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.8 m -61.14 -55.45 32.25 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.447 -0.783 . . . . 0.0 111.941 171.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.33 -44.76 95.19 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.727 -1.233 . . . . 0.0 113.033 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -48.85 -35.95 15.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.397 1.879 . . . . 0.0 111.645 166.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.261 95.8 m -75.46 -35.55 60.85 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.23 -1.544 . . . . 0.0 114.28 171.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -50.27 -60.65 2.77 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.593 1.088 . . . . 0.0 111.02 159.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -52.42 -42.03 63.74 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.627 1.103 . . . . 0.0 112.979 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -52.47 -51.29 60.08 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.211 -0.931 . . . . 0.0 112.045 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.36 -39.1 74.84 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.401 ' CD ' ' HZ2' ' B' ' 122' ' ' LYS . 12.3 tp10 -52.02 -45.56 64.63 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.691 1.596 . . . . 0.0 111.175 170.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -73.3 -5.25 38.33 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.513 -1.367 . . . . 0.0 113.545 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -101.93 -32.99 9.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.749 2.02 . . . . 0.0 112.274 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . 0.401 ' HZ2' ' CD ' ' B' ' 119' ' ' GLU . 86.3 mttt -38.23 132.63 1.03 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.233 1.413 . . . . 0.0 113.954 177.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.21 130.37 10.36 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.782 2.033 . . . . 0.0 114.413 173.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.404 HD13 ' CE1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -121.8 119.19 30.96 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.126 0.97 . . . . 0.0 108.392 155.737 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -69.94 24.94 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? 63.33 -63.7 0.12 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.655 1.982 . . . . 0.0 113.209 -172.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.64 -73.63 0.16 Allowed Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.528 1.061 . . . . 0.0 111.164 -173.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 41.4 t -73.57 58.95 0.61 Allowed 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.698 -0.883 . . . . 0.0 111.948 168.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.49 62.44 1.88 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 122.426 1.107 . . . . 0.0 108.913 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 63.2 tttt . . . . . 0 CA--C 1.535 0.401 0 O-C-N 120.989 -1.07 . . . . 0.0 112.208 -158.191 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.933 0.396 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 13.4 tpt -116.15 81.81 1.67 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.054 1.342 . . . . 0.0 110.605 166.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.69 55.24 0.66 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 130.61 3.564 . . . . 0.0 111.295 -168.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -78.93 34.64 0.23 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -159.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -73.76 -176.64 2.48 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.048 0.539 . . . . 0.0 111.846 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.267 3.0 p 57.33 -9.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 N-CA-C 118.472 2.768 . . . . 0.0 118.472 167.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -72.89 65.35 0.73 Allowed 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.025 -1.672 . . . . 0.0 114.397 -176.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mp -67.62 87.88 0.22 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.156 1.782 . . . . 0.0 110.324 161.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -86.13 168.65 13.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.401 1.48 . . . . 0.0 111.435 171.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.51 -54.88 1.47 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 99.2 m -59.09 -65.85 0.6 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.715 1.206 . . . . 0.0 113.541 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 pm0 -56.88 -36.59 70.28 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.158 -1.588 . . . . 0.0 112.318 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.2 t -61.33 -42.94 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 O-C-N 121.589 -0.694 . . . . 0.0 111.577 171.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.94 -44.8 94.16 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.182 0.993 . . . . 0.0 111.04 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 15.1 t -70.19 -35.38 62.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.58 -1.325 . . . . 0.0 111.312 176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 mt -56.45 -36.07 68.6 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 167.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -50.53 68.6 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.578 -0.701 . . . . 0.0 109.609 172.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.2 mt -53.71 -43.37 68.96 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.558 -1.339 . . . . 0.0 111.776 174.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.423 ' HA ' ' CD2' ' B' ' 124' ' ' LEU . 22.1 m-85 -54.68 -60.96 2.65 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.926 0.89 . . . . 0.0 112.154 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -75.82 -33.88 60.11 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.032 0.833 . . . . 0.0 112.602 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -50.89 -48.56 60.34 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.357 -1.464 . . . . 0.0 110.974 162.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.7 m -71.15 -11.35 60.89 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 69.8 42.36 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.311 2.645 . . . . 0.0 111.824 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.38 109.27 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 127.059 2.144 . . . . 0.0 107.822 174.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -66.98 155.1 39.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 118.16 -1.416 . . . . 0.0 111.672 162.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.7 mm -110.46 131.88 21.83 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.511 1.524 . . . . 0.0 108.698 167.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.58 133.02 53.91 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 122.728 2.285 . . . . 0.0 111.802 168.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 p -47.74 -43.76 27.39 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.304 1.041 . . . . 0.0 113.366 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -40.03 -61.92 0.8 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.607 1.163 . . . . 0.0 114.124 172.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.256 8.1 pt -67.13 -28.58 43.17 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 120.328 -1.482 . . . . 0.0 113.425 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.66 -47.79 87.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 119.972 1.26 . . . . 0.0 110.012 168.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -58.26 -57.81 11.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.277 0.631 . . . . 0.0 111.176 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -52.35 -53.26 46.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.794 0.838 . . . . 0.0 110.743 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -51.23 -60.53 3.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.088 0.955 . . . . 0.0 111.474 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 71.1 t -52.85 -39.79 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.179 0.592 . . . . 0.0 111.465 174.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -41.82 97.05 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -63.06 -39.2 94.01 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.296 0.953 . . . . 0.0 110.509 167.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.16 53.73 1.3 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.034 1.334 . . . . 0.0 111.561 173.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.93 167.84 1.47 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.15 0.98 . . . . 0.0 112.79 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -87.2 -55.91 3.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.369 1.068 . . . . 0.0 110.896 -171.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -106.43 146.05 31.0 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -161.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.99 -46.09 2.02 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.695 1.998 . . . . 0.0 111.733 163.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -64.92 -42.53 94.62 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.809 -1.182 . . . . 0.0 112.877 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -65.55 -44.09 87.86 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.126 0.57 . . . . 0.0 111.042 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 28.6 m -69.63 -39.73 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 O-C-N 121.667 -0.646 . . . . 0.0 110.071 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 1.0 OUTLIER -62.85 -38.18 89.8 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 117.777 -1.569 . . . . 0.0 112.259 171.177 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -57.77 -59.5 5.12 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.767 -1.208 . . . . 0.0 111.515 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -61.07 -52.64 64.08 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.828 0.851 . . . . 0.0 111.713 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.6 mt -52.07 -53.38 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 121.432 -0.792 . . . . 0.0 110.715 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -55.32 -41.12 71.99 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.86 -1.15 . . . . 0.0 112.278 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 43.0 m -58.27 -58.03 10.29 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.671 -0.643 . . . . 0.0 112.036 173.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -64.8 -37.97 89.4 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.917 -1.115 . . . . 0.0 112.228 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -53.76 -28.03 32.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.08 1.752 . . . . 0.0 111.951 166.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.278 90.4 m -80.78 -40.22 25.46 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 118.89 -2.381 . . . . 0.0 114.532 170.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -55.36 9.62 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.593 1.088 . . . . 0.0 111.591 161.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -54.79 -40.94 69.96 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -51.94 -52.54 49.53 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.291 -1.506 . . . . 0.0 112.912 167.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.73 -47.15 74.14 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.204 0.911 . . . . 0.0 112.557 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.455 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 78.3 mm-40 -54.54 -44.77 73.14 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 120.782 -1.199 . . . . 0.0 112.517 172.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.95 -19.19 61.93 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 120.255 -1.528 . . . . 0.0 113.024 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -82.04 -48.04 11.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.284 1.834 . . . . 0.0 113.135 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.455 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 49.1 mtmt -42.77 145.45 0.46 Allowed 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -172.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.79 143.88 57.08 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.409 1.483 . . . . 0.0 114.938 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -130.85 109.28 10.45 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.292 1.437 . . . . 0.0 109.35 172.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -73.06 -7.5 51.55 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -171.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? 67.69 -76.35 0.05 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.142 1.777 . . . . 0.0 114.656 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 64.48 -67.23 0.06 OUTLIER Glycine 0 CA--C 1.54 1.649 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -159.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.3 p -29.42 115.16 0.1 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.964 2.106 . . . . 0.0 113.532 163.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.6 mt -69.67 74.94 0.42 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.911 1.284 . . . . 0.0 114.307 -162.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.5 tptp . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 126.855 2.062 . . . . 0.0 115.244 -178.506 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 82.2 mtp -95.54 -155.74 0.49 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.419 1.888 . . . . 0.0 109.035 160.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -38.66 117.51 0.65 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.38 132.6 0.57 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.432 1.893 . . . . 0.0 115.387 -171.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 49.6 p -63.62 86.57 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.204 1.402 . . . . 0.0 113.891 -167.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 40.1 t -71.98 79.8 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 120.692 -1.255 . . . . 0.0 108.581 163.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -58.13 102.93 0.12 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp 74.71 70.04 0.09 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.484 1.514 . . . . 0.0 113.812 165.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -79.8 -171.39 2.84 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.993 1.317 . . . . 0.0 112.559 160.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.4 -67.39 0.31 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -167.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 30.3 p -59.57 -44.73 93.21 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.463 -0.773 . . . . 0.0 112.422 -174.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -65.52 -41.27 93.3 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.804 -1.185 . . . . 0.0 111.935 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.41 -48.57 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 120.583 -1.323 . . . . 0.0 111.064 174.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.96 -47.65 80.24 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 122.091 0.948 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.08 -38.01 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 O-C-N 121.472 -0.767 . . . . 0.0 111.938 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -42.05 80.2 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.703 1.201 . . . . 0.0 112.862 171.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.17 -39.69 95.39 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.433 -0.792 . . . . 0.0 110.144 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 50.2 mt -53.94 -45.77 71.34 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 120.551 -1.343 . . . . 0.0 110.535 171.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.436 ' HA ' ' CD2' ' A' ' 124' ' ' LEU . 39.4 m-85 -57.96 -54.37 47.71 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.581 -0.699 . . . . 0.0 112.214 174.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -81.53 -35.34 30.44 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -164.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -56.96 -34.07 67.68 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.451 -2.031 . . . . 0.0 111.679 161.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -78.97 -3.47 45.16 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.48 -1.387 . . . . 0.0 113.103 171.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 40.6 74.52 0.1 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.862 2.865 . . . . 0.0 114.728 -160.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.6 mt -122.14 118.37 55.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 126.293 1.837 . . . . 0.0 110.976 164.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -70.18 143.29 52.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 118.684 -1.206 . . . . 0.0 111.06 162.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 25.7 mm -99.95 129.6 28.12 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 125.065 1.346 . . . . 0.0 108.83 164.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.05 119.88 4.34 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.026 2.484 . . . . 0.0 112.419 172.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -28.3 -62.22 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.512 2.325 . . . . 0.0 113.549 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.46 -49.73 5.27 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.543 1.537 . . . . 0.0 114.18 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . 0.271 14.8 pt -73.73 -28.94 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 O-C-N 120.256 -1.527 . . . . 0.0 112.742 178.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 14.4 mt -59.12 -49.33 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 120.202 1.365 . . . . 0.0 109.868 165.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -51.34 -63.06 1.25 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.604 1.561 . . . . 0.0 110.384 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.53 -43.53 97.05 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 120.962 -1.087 . . . . 0.0 112.001 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -46.37 83.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.103 -0.998 . . . . 0.0 111.97 176.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 25.2 t -58.5 -23.93 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 125.271 1.429 . . . . 0.0 114.297 167.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.09 -55.23 6.35 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 119.932 -1.73 . . . . 0.0 110.689 166.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.15 -59.98 4.55 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -176.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 14.1 mtm105 48.5 74.25 0.18 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.012 1.325 . . . . 0.0 112.563 -167.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.01 148.58 43.51 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.139 168.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . 0.261 5.4 pp0? -72.31 -44.97 61.93 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 120.878 -1.139 . . . . 0.0 113.231 -163.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 27.6 t -95.68 150.09 20.75 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -40.24 -42.96 1.6 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.636 1.975 . . . . 0.0 110.747 160.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -62.53 -41.52 98.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.267 -0.896 . . . . 0.0 112.4 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -71.99 -49.49 36.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.846 -0.534 . . . . 0.0 110.761 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 25.7 m -63.78 -38.16 81.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.288 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.7 pp -65.39 -39.35 92.12 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.213 -1.555 . . . . 0.0 111.564 174.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -55.43 -57.52 11.54 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 120.227 1.376 . . . . 0.0 111.661 172.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -51.52 -60.0 3.63 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.435 0.636 . . . . 0.0 111.493 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.0 mt -57.26 -50.56 76.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 O-C-N 121.286 -0.883 . . . . 0.0 111.378 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.9 -42.64 97.4 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.823 -1.173 . . . . 0.0 112.081 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 64.0 p -61.09 -50.33 73.71 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.368 -0.832 . . . . 0.0 111.775 170.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -64.52 -38.31 90.57 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.069 0.938 . . . . 0.0 112.751 -177.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -56.17 -37.89 70.18 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.909 1.683 . . . . 0.0 111.085 168.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 87.2 m -73.92 -38.14 64.39 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.234 -0.916 . . . . 0.0 113.403 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.05 -61.13 2.33 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.205 0.912 . . . . 0.0 110.405 162.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -50.51 -44.69 56.25 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 177.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -51.07 -52.27 45.01 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.243 -0.911 . . . . 0.0 112.262 174.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.75 -38.36 83.37 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.47 -42.67 83.02 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 120.339 -1.475 . . . . 0.0 111.96 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -72.11 -4.42 28.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.663 -1.273 . . . . 0.0 113.154 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -108.12 -39.58 5.46 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.401 2.28 . . . . 0.0 112.357 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -47.87 147.18 2.08 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.326 1.85 . . . . 0.0 114.9 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.13 102.72 0.05 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.781 2.032 . . . . 0.0 116.197 -170.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -100.72 109.66 21.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.939 0.791 . . . . 0.0 109.462 162.862 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -7.83 52.19 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -173.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 26.7 mmt85 71.83 -40.25 0.47 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.95 2.1 . . . . 0.0 114.686 176.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.3 43.49 6.99 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.673 1.13 . . . . 0.0 110.341 -166.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 6.0 t 61.13 -167.23 0.19 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.168 0.987 . . . . 0.0 113.084 -169.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 33.4 tp -78.12 133.32 37.87 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.889 1.276 . . . . 0.0 109.239 164.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp . . . . . 0 CA--C 1.536 0.44 0 O-C-N 121.417 -0.802 . . . . 0.0 112.319 -178.114 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 ttp -158.85 160.41 36.14 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.826 2.051 . . . . 0.0 108.307 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.6 179.89 0.22 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -73.66 69.74 1.31 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.018 1.727 . . . . 0.0 115.066 -146.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.7 t -69.15 66.54 0.16 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.806 1.242 . . . . 0.0 111.753 168.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.88 59.15 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -160.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -68.58 62.6 0.1 Allowed 'General case' 0 CA--C 1.546 0.827 0 O-C-N 119.879 -1.763 . . . . 0.0 112.83 166.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.25 97.73 0.05 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.495 1.118 . . . . 0.0 110.54 167.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t -110.39 -178.29 3.46 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.323 2.249 . . . . 0.0 111.783 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -34.17 -68.5 0.11 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.456 1.902 . . . . 0.0 115.108 -169.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.7 p -58.3 -61.99 2.16 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pm0 -58.9 -39.85 82.71 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 120.319 -1.488 . . . . 0.0 112.255 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.9 -42.88 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.569 -0.707 . . . . 0.0 111.526 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.72 -50.49 66.73 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 122.354 1.073 . . . . 0.0 111.278 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 13.6 t -68.55 -27.87 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 120.349 -1.469 . . . . 0.0 111.177 -178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.17 -31.32 61.28 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 165.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.58 -52.38 26.65 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 170.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.98 -33.88 62.85 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.189 -0.944 . . . . 0.0 112.293 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.421 ' CE1' HD12 ' B' ' 124' ' ' LEU . 29.3 m-85 -61.22 -61.76 2.32 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.323 1.449 . . . . 0.0 112.848 168.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.74 -35.64 67.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.856 1.207 . . . . 0.0 112.675 -172.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -61.08 -20.91 63.14 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.314 -1.491 . . . . 0.0 112.848 163.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.1 -9.28 58.73 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 119.832 -1.792 . . . . 0.0 114.688 165.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 62.68 43.32 7.49 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.344 2.657 . . . . 0.0 112.541 -165.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.2 mt -104.48 95.27 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 124.528 1.131 . . . . 0.0 109.877 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.75 74.31 5.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.958 -177.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.0 mm -42.37 131.15 2.79 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 125.44 1.496 . . . . 0.0 113.508 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.14 146.9 32.69 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.494 2.129 . . . . 0.0 110.636 170.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -45.06 -42.99 9.1 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.64 1.576 . . . . 0.0 111.883 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . 0.428 ' CG ' ' H ' ' B' ' 88' ' ' SER . 1.2 m-20 -70.19 -4.44 21.62 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.585 1.554 . . . . 0.0 114.397 -174.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.1 mm -79.98 -56.47 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 120.623 -1.298 . . . . 0.0 109.314 156.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.2 mt -57.89 -45.2 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.592 1.157 . . . . 0.0 110.518 -169.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -37.71 -79.01 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.544 2.338 . . . . 0.0 112.887 164.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.29 -36.81 83.25 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.3 1.04 . . . . 0.0 111.499 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -66.26 0.47 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.185 0.594 . . . . 0.0 112.078 172.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.57 -38.16 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 O-C-N 121.553 -0.717 . . . . 0.0 112.759 -175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -45.63 -38.79 7.0 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 171.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -74.77 -20.56 59.75 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.084 -1.01 . . . . 0.0 113.663 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 52.44 56.08 8.2 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.695 1.598 . . . . 0.0 113.976 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.1 mt -64.71 168.08 6.57 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.321 -0.862 . . . . 0.0 112.301 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -110.31 -55.58 2.44 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -166.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.2 p -103.31 164.81 11.41 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 123.562 1.648 . . . . 0.0 115.095 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.4 ' OE2' ' NZ ' ' B' ' 130' ' ' LYS . 20.5 mp0 -57.4 -37.33 72.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.889 1.676 . . . . 0.0 111.656 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -60.42 -46.15 91.04 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.261 -0.9 . . . . 0.0 111.761 173.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.8 -47.27 81.52 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.392 -0.818 . . . . 0.0 111.0 -177.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -65.27 -41.17 90.82 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.29 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 1.2 pp -65.64 -38.54 89.65 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.124 1.329 . . . . 0.0 111.999 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -60.16 -57.37 13.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.679 0.752 . . . . 0.0 110.45 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -58.68 -52.03 67.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.592 1.157 . . . . 0.0 111.772 -177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.07 -53.61 32.57 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 O-C-N 121.684 -0.635 . . . . 0.0 111.209 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.6 -40.44 83.24 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.689 -1.257 . . . . 0.0 112.226 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.1 m -57.9 -58.69 7.28 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.43 0.692 . . . . 0.0 112.312 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -64.95 -25.25 67.79 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 120.861 -1.149 . . . . 0.0 113.117 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -74.31 -16.5 60.93 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.517 1.927 . . . . 0.0 111.351 169.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.308 87.2 m -86.36 -36.51 19.18 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.04 -1.662 . . . . 0.0 114.081 164.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -61.28 2.39 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.756 1.162 . . . . 0.0 110.85 160.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -53.37 -46.8 69.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -45.38 -50.42 12.31 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.691 -1.256 . . . . 0.0 113.287 167.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.79 -46.4 89.69 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.159 0.891 . . . . 0.0 112.599 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -65.76 -13.41 59.33 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.081 -1.637 . . . . 0.0 113.867 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -88.12 -4.0 58.81 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 119.571 -1.956 . . . . 0.0 113.121 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -120.77 -43.44 2.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.484 1.914 . . . . 0.0 113.224 -169.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -50.18 138.2 16.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.531 1.133 . . . . 0.0 113.286 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.85 126.17 26.52 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.058 1.343 . . . . 0.0 114.082 -173.211 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.4 tp -116.07 121.19 41.46 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 151.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.62 14.73 0.07 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.376 2.271 . . . . 0.0 116.333 -176.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 68.48 -63.17 0.35 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.018 1.727 . . . . 0.0 114.085 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.28 -74.1 0.4 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.114 0.864 . . . . 0.0 113.429 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 41.5 t -75.9 63.19 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.388 -1.066 . . . . 0.0 113.463 -173.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.38 61.13 1.2 Allowed 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.75 -1.219 . . . . 0.0 113.351 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? . . . . . 0 CA--C 1.543 0.703 0 O-C-N 120.236 -1.54 . . . . 0.0 110.93 172.303 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.495 ' HE2' ' CD ' ' B' ' 102' ' ' GLU . 29.7 t-80 . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 121.487 0.66 . . . . 0.0 111.56 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 89.7 mmm -75.6 57.34 0.96 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.751 1.22 . . . . 0.0 112.697 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.65 160.86 31.91 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.242 0.617 . . . . 0.0 111.705 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -33.33 116.53 0.25 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.821 2.449 . . . . 0.0 113.494 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 7.8 t -75.31 53.7 0.67 Allowed 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.036 -1.04 . . . . 0.0 113.273 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 9.4 p -116.22 171.59 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 126.644 1.978 . . . . 0.0 111.871 -175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -67.76 132.9 48.31 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.469 -0.769 . . . . 0.0 111.812 170.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 mp 47.44 72.23 0.27 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.251 1.42 . . . . 0.0 113.94 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -99.49 -172.82 2.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.176 1.79 . . . . 0.0 112.061 170.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.55 -62.48 1.42 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -164.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 p -58.34 -57.79 11.37 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 pm0 -59.38 -39.81 84.53 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.818 -1.176 . . . . 0.0 112.575 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.61 -46.9 95.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.289 -0.882 . . . . 0.0 111.482 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.07 91.06 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.956 0.884 . . . . 0.0 111.061 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 20.8 t -73.03 -32.34 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.083 -1.011 . . . . 0.0 111.832 177.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.89 -29.1 54.99 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.48 -1.388 . . . . 0.0 114.35 166.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.78 -51.62 13.63 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 173.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 68.6 mt -47.78 -44.75 28.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.599 -1.313 . . . . 0.0 112.19 171.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -51.5 -57.11 9.94 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.122 -0.986 . . . . 0.0 112.46 172.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.253 9.2 mm-40 -81.33 -26.68 35.4 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -46.72 -46.34 20.18 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.115 -1.616 . . . . 0.0 109.875 155.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -78.28 -7.34 57.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.279 9.8 t-20 51.05 80.63 0.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 130.356 3.462 . . . . 0.0 116.342 -163.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.0 mp -136.43 110.37 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.088 1.755 . . . . 0.0 110.001 170.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -64.87 134.22 53.56 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 118.691 -1.204 . . . . 0.0 108.664 159.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 30.3 mm -96.56 132.32 26.57 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.944 1.298 . . . . 0.0 109.306 171.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.12 141.4 87.45 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.168 1.912 . . . . 0.0 112.617 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' SER . . . . . 0.428 ' H ' ' CG ' ' A' ' 89' ' ' ASP . 27.1 m -43.95 -49.48 8.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.784 1.234 . . . . 0.0 111.195 166.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.17 -47.07 46.1 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 17.7 mm -55.28 -54.08 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.692 -1.255 . . . . 0.0 109.824 172.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.7 mt -57.62 -44.73 85.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.989 -0.445 . . . . 0.0 110.743 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.15 -70.88 0.08 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.273 1.029 . . . . 0.0 111.693 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -52.95 -51.88 59.94 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.638 1.175 . . . . 0.0 111.331 -174.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -55.26 22.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.986 1.314 . . . . 0.0 111.946 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.75 -41.29 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 O-C-N 121.12 -0.987 . . . . 0.0 112.155 174.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.28 -49.44 77.6 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.823 0.849 . . . . 0.0 112.592 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -63.46 -28.05 69.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.371 -0.831 . . . . 0.0 112.304 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? 66.56 44.38 2.3 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.345 1.058 . . . . 0.0 113.555 164.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.01 155.58 19.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.574 0.75 . . . . 0.0 111.231 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -131.87 34.96 3.8 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.275 -0.89 . . . . 0.0 112.12 -168.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 30.0 t -160.82 135.14 7.2 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.527 -0.733 . . . . 0.0 111.483 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.495 ' CD ' ' HE2' ' B' ' 61' ' ' HIS . 43.5 mp0 -52.38 -47.42 66.19 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.222 1.809 . . . . 0.0 111.823 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.5 -42.26 98.51 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.887 -1.133 . . . . 0.0 111.861 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -69.66 -34.13 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 120.61 -1.306 . . . . 0.0 111.254 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.31 -47.32 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.823 168.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.6 pp -63.2 -29.88 71.14 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.111 -1.618 . . . . 0.0 113.061 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -64.28 -62.3 1.7 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.116 0.966 . . . . 0.0 110.922 169.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -57.49 -50.4 73.18 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.515 0.726 . . . . 0.0 111.44 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -51.69 -54.58 12.12 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 C-N-CA 123.03 0.532 . . . . 0.0 110.852 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.35 -37.28 80.19 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.903 -1.123 . . . . 0.0 112.471 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 28.2 m -58.41 -59.36 5.47 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.778 0.831 . . . . 0.0 111.838 172.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -65.76 -32.15 73.54 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.893 -1.129 . . . . 0.0 112.08 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -61.19 -29.5 69.84 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.313 -1.492 . . . . 0.0 111.246 168.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.271 87.8 m -80.47 -37.52 31.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.272 -1.518 . . . . 0.0 114.049 173.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -48.77 -60.33 2.82 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.026 0.83 . . . . 0.0 110.749 157.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -50.04 -46.31 52.95 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.54 -47.23 57.69 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.662 -0.649 . . . . 0.0 112.608 173.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.56 -40.32 66.76 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.756 0.707 . . . . 0.0 112.873 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -56.75 -33.17 66.3 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.025 -1.672 . . . . 0.0 112.087 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -78.02 -7.95 57.54 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.277 -1.514 . . . . 0.0 114.279 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -92.62 -48.61 6.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.125 1.77 . . . . 0.0 112.481 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -41.95 143.96 0.49 Allowed 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 135.18 57.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.289 1.435 . . . . 0.0 114.77 178.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.421 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -110.13 123.51 49.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.748 0.819 . . . . 0.0 109.41 155.675 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.1 29.26 0.05 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? 63.07 -53.4 0.18 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 128.179 2.592 . . . . 0.0 116.174 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.29 47.23 1.24 Allowed Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.155 1.36 . . . . 0.0 110.848 -166.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 59.6 p 48.54 -112.3 0.49 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.303 1.041 . . . . 0.0 112.264 -167.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 64.7 tp -116.64 117.91 31.12 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.922 1.689 . . . . 0.0 109.303 171.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . 0.4 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.714 0 C-N-CA 125.611 1.564 . . . . 0.0 114.253 -173.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 91.0 mtp -68.09 131.62 45.75 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.899 -0.501 . . . . 0.0 109.726 164.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' CG ' HH21 ' A' ' 98' ' ' ARG . 17.4 t70 -71.5 119.83 16.2 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -171.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -83.87 50.52 1.84 Allowed 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.572 -1.33 . . . . 0.0 111.511 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . 0.256 13.8 t 45.74 -169.28 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.333 1.853 . . . . 0.0 114.988 -172.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.4 p -45.89 -65.64 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -164.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -83.94 122.0 28.14 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.1 -1.0 . . . . 0.0 113.424 -169.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.437 ' H ' ' CG2' ' A' ' 95' ' ' VAL . 7.0 mp 50.41 74.19 0.23 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.885 2.074 . . . . 0.0 112.367 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.7 t -86.24 -175.14 5.39 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.057 1.343 . . . . 0.0 113.357 171.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.74 -50.36 66.14 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -167.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.1 p -69.94 -48.65 57.59 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.315 -0.866 . . . . 0.0 113.331 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -69.19 -35.08 75.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.373 1.069 . . . . 0.0 110.602 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.36 -47.01 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 O-C-N 120.991 -1.068 . . . . 0.0 111.418 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.54 65.43 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 123.219 1.485 . . . . 0.0 111.985 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -74.95 -36.81 39.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.567 -1.333 . . . . 0.0 113.001 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.87 -32.81 72.23 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.272 1.429 . . . . 0.0 114.22 171.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -67.52 -55.57 12.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.769 -1.196 . . . . 0.0 107.769 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.22 -37.42 82.97 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.621 -1.299 . . . . 0.0 113.037 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -47.77 -50.07 26.71 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.952 -1.092 . . . . 0.0 112.221 165.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.6 -31.67 47.23 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -56.08 -29.43 60.56 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 119.282 -2.136 . . . . 0.0 111.818 158.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.1 m -85.99 -4.63 59.21 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.284 -1.51 . . . . 0.0 115.073 168.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 46.5 62.05 2.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.759 2.824 . . . . 0.0 114.148 -163.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.4 mt -118.48 97.74 5.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 125.91 1.684 . . . . 0.0 111.116 173.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 -71.26 108.19 4.62 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.081 -1.012 . . . . 0.0 110.329 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.8 mm -71.77 124.61 91.16 Favored Pre-proline 0 CA--C 1.545 0.777 0 O-C-N 119.297 -2.127 . . . . 0.0 111.007 175.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -71.74 148.57 52.89 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.102 1.868 . . . . 0.0 109.782 172.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -30.95 -43.06 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 127.092 2.157 . . . . 0.0 113.056 163.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.89 -5.58 55.82 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 127.0 2.12 . . . . 0.0 112.886 -166.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.7 mm -81.2 -45.43 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 119.786 -1.821 . . . . 0.0 109.958 155.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.1 mt -71.92 -35.67 55.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.878 0.871 . . . . 0.0 111.077 -167.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -31.41 -55.78 0.25 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.661 2.784 . . . . 0.0 112.024 165.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.12 -68.0 0.63 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.928 2.491 . . . . 0.0 110.537 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -60.17 -47.24 86.76 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -158.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.437 ' CG2' ' H ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -54.25 -26.98 16.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -174.416 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -73.22 -60.48 2.22 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.362 0.601 . . . . 0.0 110.798 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -94.42 53.83 1.74 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.968 0.907 . . . . 0.0 112.209 -176.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.402 HH21 ' CG ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -77.42 34.0 0.17 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -169.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.1 mt 51.94 -154.02 0.19 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.642 0.777 . . . . 0.0 113.063 167.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -111.3 -52.56 2.78 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.048 1.339 . . . . 0.0 111.509 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.2 m -113.7 152.38 30.56 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -168.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -39.24 -54.39 1.81 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.273 1.029 . . . . 0.0 112.665 165.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -55.87 -39.97 72.28 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.606 -0.684 . . . . 0.0 111.825 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.23 -49.99 51.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.871 -0.518 . . . . 0.0 110.704 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.5 -36.05 76.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.831 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.28 2.3 pp -70.59 -39.04 74.06 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 120.078 1.308 . . . . 0.0 113.196 174.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -53.97 -56.35 18.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.468 1.031 . . . . 0.0 110.923 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -55.73 -57.48 11.84 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.929 1.292 . . . . 0.0 112.088 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.32 -47.38 77.98 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 123.889 0.876 . . . . 0.0 111.632 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.65 -37.99 83.33 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 120.659 1.572 . . . . 0.0 112.358 176.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.4 m -61.06 -60.42 3.8 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.617 -0.677 . . . . 0.0 112.049 171.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -56.62 -34.64 67.44 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.197 0.999 . . . . 0.0 112.243 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -30.49 71.55 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.471 -1.393 . . . . 0.0 111.525 172.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.252 54.9 m -77.98 -35.67 49.83 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.537 -1.352 . . . . 0.0 113.765 169.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -50.66 -57.72 7.57 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.722 1.146 . . . . 0.0 111.199 161.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -54.85 -44.11 73.69 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.733 -1.229 . . . . 0.0 113.413 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -47.65 -49.85 26.27 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.576 -1.328 . . . . 0.0 111.192 168.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.92 -42.48 94.67 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -54.16 -29.85 47.05 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 119.784 -1.822 . . . . 0.0 112.153 168.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.7 6.04 33.17 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.377 -1.452 . . . . 0.0 113.714 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -122.74 -32.13 3.6 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.635 2.374 . . . . 0.0 112.713 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -46.97 145.25 2.13 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.169 1.388 . . . . 0.0 114.174 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 132.45 47.39 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.513 1.525 . . . . 0.0 114.964 175.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.22 123.08 49.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.929 0.892 . . . . 0.0 109.109 152.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -74.9 30.58 0.09 Allowed 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.323 -1.486 . . . . 0.0 114.32 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.446 HH22 ' CD ' ' B' ' 110' ' ' GLU . 4.0 mmp_? 63.78 -67.88 0.09 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.164 1.786 . . . . 0.0 113.724 -176.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.38 -73.74 0.42 Allowed Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.558 -0.713 . . . . 0.0 112.401 -173.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 97.7 p -76.54 67.29 2.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.337 -1.096 . . . . 0.0 112.465 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.52 60.18 0.64 Allowed 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.004 -1.06 . . . . 0.0 111.053 171.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 76.3 tttt . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 124.058 0.943 . . . . 0.0 112.786 -165.716 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 20.3 t60 . . . . . 0 CA--C 1.542 0.651 0 CA-C-O 121.381 0.61 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 40.3 ttm -74.39 54.65 0.59 Allowed 'General case' 0 CA--C 1.547 0.846 0 O-C-N 120.968 -1.083 . . . . 0.0 110.293 168.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -85.3 101.08 12.24 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.083 -1.01 . . . . 0.0 112.225 -162.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 79.22 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.924 2.089 . . . . 0.0 114.196 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 85.6 m 58.34 124.33 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.606 1.562 . . . . 0.0 111.622 -154.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 p -46.4 130.59 3.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 124.774 1.229 . . . . 0.0 113.158 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -71.2 68.84 0.5 Allowed 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.83 93.01 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.88 1.672 . . . . 0.0 110.447 157.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -97.02 176.92 5.78 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.867 1.267 . . . . 0.0 112.542 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.23 -61.64 0.86 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.696 1.598 . . . . 0.0 115.039 -168.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 p -61.93 -55.84 25.34 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -62.14 -35.2 78.03 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.876 -1.14 . . . . 0.0 112.192 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.58 -51.04 75.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 O-C-N 121.27 -0.894 . . . . 0.0 111.185 173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.84 -38.03 69.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.326 1.06 . . . . 0.0 111.496 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 t -72.0 -36.97 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 O-C-N 121.537 -0.727 . . . . 0.0 112.482 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.37 -27.82 69.34 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.932 -1.105 . . . . 0.0 113.96 168.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.67 -51.75 13.52 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.781 -0.574 . . . . 0.0 109.742 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 42.5 mt -46.51 -41.41 14.12 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.646 -1.284 . . . . 0.0 111.684 168.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -56.79 -56.23 24.21 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 169.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.11 -28.86 60.41 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 121.671 2.032 . . . . 0.0 114.14 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -49.78 -45.91 50.25 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.169 -1.582 . . . . 0.0 110.606 159.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.3 p -77.3 -6.18 52.23 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.013 -1.054 . . . . 0.0 113.658 175.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 42.52 69.82 0.34 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.608 2.763 . . . . 0.0 115.045 -159.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 62.7 mt -117.37 109.53 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.331 1.452 . . . . 0.0 112.667 167.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -69.78 121.5 17.35 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.745 -1.222 . . . . 0.0 110.459 167.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 48.7 mm -90.34 121.49 68.46 Favored Pre-proline 0 CA--C 1.543 0.696 0 O-C-N 119.987 -1.695 . . . . 0.0 110.207 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.53 126.16 21.05 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 121.636 1.557 . . . . 0.0 111.502 170.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -41.32 -41.34 1.91 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.998 2.119 . . . . 0.0 113.885 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -49.57 -45.25 47.51 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.233 1.013 . . . . 0.0 113.441 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 13.4 mm -50.06 -53.97 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 122.215 1.007 . . . . 0.0 110.522 169.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 41.0 mt -64.87 -46.84 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.209 -170.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -48.9 -63.7 1.02 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.206 1.002 . . . . 0.0 111.499 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.65 -55.48 29.2 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.719 -0.613 . . . . 0.0 109.886 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.01 -49.07 66.98 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -175.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 t -49.36 -38.19 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.733 1.213 . . . . 0.0 113.754 172.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -72.8 -58.35 3.4 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.647 0.779 . . . . 0.0 111.897 171.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -52.73 -48.64 66.54 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.106 1.362 . . . . 0.0 112.802 -174.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 61.27 75.63 0.4 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 164.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.83 173.32 5.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.646 0.779 . . . . 0.0 112.255 172.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -75.14 -35.96 61.62 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.081 -1.012 . . . . 0.0 112.994 -170.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 26.2 p -145.86 164.33 32.29 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -172.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -36.95 -54.03 0.95 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.522 2.729 . . . . 0.0 112.602 170.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -56.57 -47.18 80.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.141 0.972 . . . . 0.0 111.86 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.77 -44.37 73.8 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.794 -0.566 . . . . 0.0 110.781 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.11 -39.02 83.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.637 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.301 3.7 pp -63.97 -39.6 94.51 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.794 1.634 . . . . 0.0 112.204 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -60.38 -53.37 58.39 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.286 -0.884 . . . . 0.0 111.643 175.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -57.05 -55.56 33.1 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.997 1.319 . . . . 0.0 112.239 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 60.4 mt -49.09 -53.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 124.204 1.002 . . . . 0.0 111.224 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.446 ' CD ' HH22 ' A' ' 126' ' ' ARG . 82.5 mt-10 -62.64 -40.4 96.88 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.182 -0.949 . . . . 0.0 112.867 179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 52.3 m -54.26 -53.62 51.24 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.18 -0.95 . . . . 0.0 111.709 170.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.26 -28.27 69.05 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.009 -1.057 . . . . 0.0 112.295 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -79.51 -4.43 51.31 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.251 -1.53 . . . . 0.0 113.545 171.48 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.317 12.4 m -83.09 -36.95 24.45 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 119.634 -1.916 . . . . 0.0 112.951 156.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.39 -64.42 0.83 Allowed 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.469 1.032 . . . . 0.0 111.846 160.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -55.43 -38.52 69.09 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.004 -1.06 . . . . 0.0 113.622 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.26 -57.13 6.39 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.616 -1.303 . . . . 0.0 112.653 164.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.96 -39.72 90.62 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.034 0.834 . . . . 0.0 112.217 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.402 ' CD ' ' HZ3' ' B' ' 122' ' ' LYS . 8.6 tp10 -57.5 -27.96 63.02 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.528 -1.358 . . . . 0.0 112.63 170.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -91.56 25.9 2.5 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.997 1.719 . . . . 0.0 112.627 170.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -146.35 -18.98 0.43 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . 0.402 ' HZ3' ' CD ' ' B' ' 119' ' ' GLU . 36.0 mtmt -68.45 50.26 0.07 Allowed 'General case' 0 CA--C 1.563 1.466 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -173.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.18 91.97 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 118.768 2.877 . . . . 0.0 118.768 164.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 17.5 tp -81.96 93.05 6.86 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.245 -1.535 . . . . 0.0 112.058 167.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -63.28 -43.84 96.78 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.822 0.849 . . . . 0.0 112.116 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.29 -40.92 0.4 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.28 1.832 . . . . 0.0 114.794 170.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.92 -56.92 3.7 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 99.3 p -69.18 74.39 0.33 Allowed 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.67 -0.9 . . . . 0.0 110.1 161.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 59.1 tp -52.98 123.04 10.53 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.678 1.591 . . . . 0.0 113.608 -171.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt . . . . . 0 CA--C 1.541 0.604 0 O-C-N 121.637 -0.664 . . . . 0.0 112.678 175.776 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.75 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.5 ttp -48.13 104.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -71.48 171.16 11.82 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.763 1.625 . . . . 0.0 112.345 173.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -22.86 100.87 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.895 2.478 . . . . 0.0 113.441 162.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.7 p -77.67 58.38 1.8 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.952 1.301 . . . . 0.0 112.501 -174.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -84.51 -23.27 7.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.804 1.241 . . . . 0.0 111.175 165.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -90.88 174.64 7.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.027 1.331 . . . . 0.0 111.579 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.273 5.0 tp 65.66 48.73 1.89 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.64 1.209 . . . . 0.0 109.303 -135.021 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.6 t -118.2 -167.35 1.34 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 128.196 2.598 . . . . 0.0 110.725 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -28.26 -69.76 0.05 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.355 2.262 . . . . 0.0 116.256 -164.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.08 -57.85 9.25 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -175.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pm0 -63.13 -29.78 71.07 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.517 -1.365 . . . . 0.0 112.864 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.55 -42.42 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 120.611 -1.306 . . . . 0.0 111.712 170.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.29 79.75 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.791 1.282 . . . . 0.0 111.43 172.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 t -62.47 -36.58 75.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 119.296 -2.128 . . . . 0.0 111.628 169.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -34.63 58.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 166.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -45.06 78.39 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.505 -0.747 . . . . 0.0 110.528 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.25 -36.55 84.04 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.108 -0.995 . . . . 0.0 111.33 174.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -59.79 -45.33 92.65 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.777 -1.202 . . . . 0.0 113.316 167.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.76 -50.86 72.35 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.891 0.769 . . . . 0.0 110.382 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -53.26 -40.22 64.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.082 1.353 . . . . 0.0 112.481 170.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 m -80.3 1.27 29.34 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 52.43 58.04 5.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.301 1.44 . . . . 0.0 111.735 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 25.4 mt -121.23 113.3 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 O-C-N 120.871 -1.143 . . . . 0.0 112.651 -174.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -78.94 128.91 33.9 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.988 -1.07 . . . . 0.0 110.323 168.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.2 mm -93.01 122.91 62.61 Favored Pre-proline 0 CA--C 1.542 0.663 0 O-C-N 120.898 -1.127 . . . . 0.0 111.276 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.6 141.71 73.78 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.376 2.05 . . . . 0.0 112.521 168.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -36.63 -51.37 0.85 Allowed 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.481 1.112 . . . . 0.0 110.906 156.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.5 3.05 4.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -175.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.1 mm -84.54 -50.43 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 120.597 -1.315 . . . . 0.0 108.979 155.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.76 -46.61 91.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 125.048 1.339 . . . . 0.0 110.074 -170.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -37.27 -37.58 0.18 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 129.173 2.989 . . . . 0.0 113.37 167.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.28 -62.96 1.33 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.697 1.599 . . . . 0.0 113.169 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -45.87 71.83 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.468 1.107 . . . . 0.0 113.594 -171.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.4 t -54.11 -21.99 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 124.624 1.17 . . . . 0.0 112.905 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -74.52 -44.42 51.32 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.137 -0.977 . . . . 0.0 112.098 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -65.98 -59.05 4.21 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -168.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? 62.24 81.0 0.21 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.977 1.311 . . . . 0.0 112.034 -169.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.3 mt -74.21 175.57 7.44 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 122.955 0.502 . . . . 0.0 111.069 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -77.54 -47.02 20.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.479 -0.763 . . . . 0.0 111.405 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.0 t -116.89 148.36 41.38 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -166.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -42.68 -48.01 5.44 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.658 1.583 . . . . 0.0 110.807 161.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -60.68 -40.89 93.82 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.742 -1.224 . . . . 0.0 112.684 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -67.89 -45.94 73.03 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.808 -0.557 . . . . 0.0 111.475 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . 0.272 33.4 m -64.67 -37.74 80.88 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.402 177.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.318 4.5 pp -66.13 -36.41 83.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 118.028 -1.469 . . . . 0.0 113.408 173.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -58.75 -57.45 12.96 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 120.775 -1.203 . . . . 0.0 111.596 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -53.19 -54.18 39.67 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.855 1.262 . . . . 0.0 111.481 177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.81 -47.59 88.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 121.406 -0.808 . . . . 0.0 111.809 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.99 -41.48 64.65 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.103 -1.623 . . . . 0.0 112.097 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.1 m -61.89 -57.27 12.43 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.503 0.721 . . . . 0.0 112.241 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -60.95 -23.75 65.54 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.62 -1.3 . . . . 0.0 112.814 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.407 ' CZ ' ' HA ' ' B' ' 120' ' ' ASN . 14.9 ttt-85 -76.84 -21.35 55.17 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 119.817 -1.802 . . . . 0.0 112.557 170.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.5 m -72.05 -47.02 54.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 120.423 -1.423 . . . . 0.0 112.768 163.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -47.73 -61.2 2.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.252 0.933 . . . . 0.0 110.718 162.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -53.66 -46.17 70.5 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -39.65 79.6 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.616 -1.302 . . . . 0.0 112.519 173.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.25 -47.22 85.32 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.319 -0.863 . . . . 0.0 112.857 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.49 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 26.8 mm-40 -58.36 -33.61 69.76 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 119.885 -1.759 . . . . 0.0 112.382 174.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -73.07 -9.09 58.36 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.007 -1.683 . . . . 0.0 114.004 172.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -112.4 -40.76 4.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.717 2.007 . . . . 0.0 113.614 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.49 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 80.6 mttt -42.96 143.03 0.8 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.317 1.847 . . . . 0.0 114.87 -176.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 138.4 56.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.351 1.46 . . . . 0.0 114.094 173.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.4 tt -139.17 115.91 10.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.986 1.715 . . . . 0.0 108.122 166.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -74.32 27.19 0.08 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 -166.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 68.44 -54.12 0.54 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.586 1.954 . . . . 0.0 114.899 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.6 -75.3 0.41 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.496 1.046 . . . . 0.0 112.429 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 35.6 t -82.64 153.31 25.48 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.448 0.642 . . . . 0.0 111.589 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.2 tp -163.39 111.64 1.23 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.078 1.351 . . . . 0.0 110.028 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt . . . . . 0 CA--C 1.54 0.561 0 O-C-N 120.615 -1.303 . . . . 0.0 111.337 -174.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 36.2 t60 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 29.6 ttm -144.77 14.21 1.53 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 122.974 1.369 . . . . 0.0 114.396 159.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -63.11 176.84 0.68 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.94 2.496 . . . . 0.0 111.863 171.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -142.01 158.11 44.14 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.636 1.174 . . . . 0.0 111.456 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -143.37 -152.05 0.39 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.486 1.514 . . . . 0.0 109.344 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.0 t -65.62 79.45 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 O-C-N 120.779 -1.201 . . . . 0.0 109.74 169.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.36 141.75 28.56 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.185 1.794 . . . . 0.0 114.599 -167.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.271 6.6 mp 46.78 59.56 3.88 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 122.952 1.358 . . . . 0.0 112.034 -170.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.6 t -74.56 174.59 8.8 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.453 1.101 . . . . 0.0 111.808 165.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.83 -55.72 6.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.063 1.345 . . . . 0.0 113.53 -175.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 26.1 p -59.68 -59.61 5.16 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pm0 -65.13 -32.89 74.81 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 121.231 1.832 . . . . 0.0 112.96 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.11 -47.67 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 119.003 0.819 . . . . 0.0 110.959 170.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.91 87.99 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.257 0.551 . . . . 0.0 110.57 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 6.2 t -67.74 -39.2 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 O-C-N 121.152 -0.968 . . . . 0.0 111.266 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 23.8 mt -53.38 -30.14 38.26 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.918 1.287 . . . . 0.0 114.46 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -78.62 -48.15 15.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 29.6 mt -51.72 -40.13 59.63 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 119.838 -1.789 . . . . 0.0 112.599 169.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -49.12 -60.69 2.58 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.22 170.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -80.68 -27.75 36.98 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -48.23 -45.9 34.69 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 120.033 -1.667 . . . . 0.0 110.358 160.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.6 p -80.25 -1.15 39.45 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.285 -0.884 . . . . 0.0 113.23 177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 54.3 58.25 5.13 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.161 2.584 . . . . 0.0 113.355 -170.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 60.4 mt -116.71 117.84 56.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 125.06 1.344 . . . . 0.0 111.267 162.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -70.99 131.54 43.83 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 160.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 6.2 mm -88.16 134.33 35.11 Favored Pre-proline 0 CA--C 1.541 0.634 0 O-C-N 120.866 -1.146 . . . . 0.0 109.016 167.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.02 137.66 19.77 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 121.077 1.185 . . . . 0.0 110.222 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 4.8 m -46.36 -42.78 15.42 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.437 1.895 . . . . 0.0 112.764 -173.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -44.59 -58.84 2.77 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.975 1.31 . . . . 0.0 113.577 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.0 pt -70.05 -22.7 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 O-C-N 120.139 -1.601 . . . . 0.0 112.612 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 16.4 mt -62.43 -49.93 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 120.774 -1.204 . . . . 0.0 110.007 166.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -54.25 -42.05 69.46 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.574 1.15 . . . . 0.0 112.362 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -67.21 -64.76 0.79 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.434 0.694 . . . . 0.0 110.714 173.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.58 -49.49 36.47 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.8 1.24 . . . . 0.0 111.8 -174.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 56.0 t -53.84 -38.91 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 O-C-N 121.153 -0.967 . . . . 0.0 113.171 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -47.6 64.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.763 0.825 . . . . 0.0 112.317 173.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -55.02 -32.61 61.97 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.496 0.665 . . . . 0.0 111.729 173.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? 58.45 41.46 22.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.16 1.384 . . . . 0.0 112.197 169.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.0 157.39 5.83 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -76.77 -44.6 32.29 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -161.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.1 p -154.08 175.45 13.42 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.827 0.822 . . . . 0.0 112.65 -172.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.415 ' H ' ' CD ' ' B' ' 102' ' ' GLU . 2.4 mp0 -54.23 -43.91 71.27 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 125.932 1.693 . . . . 0.0 113.457 -167.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -65.78 -34.02 77.21 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.122 0.963 . . . . 0.0 112.39 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 -69.61 -41.52 75.61 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 121.189 -0.944 . . . . 0.0 111.697 173.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.47 -56.7 14.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.278 2.1 pp -58.76 -47.41 84.76 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.469 -0.769 . . . . 0.0 112.465 -174.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . 0.253 2.7 p30 -65.34 -45.7 83.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.902 1.683 . . . . 0.0 112.789 -177.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -65.88 -55.45 16.92 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.458 -0.776 . . . . 0.0 112.085 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -44.57 50.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 O-C-N 121.206 -0.934 . . . . 0.0 110.744 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.29 -34.57 78.65 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.801 -1.187 . . . . 0.0 111.176 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 87.7 m -61.84 -58.24 8.74 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.209 0.604 . . . . 0.0 111.855 170.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -60.91 -41.89 96.98 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.595 1.188 . . . . 0.0 112.224 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -54.86 -32.13 60.37 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.234 -1.541 . . . . 0.0 111.921 167.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 54.4 m -78.07 -36.52 48.19 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 119.879 -1.763 . . . . 0.0 113.916 172.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.96 -57.94 5.68 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.516 1.053 . . . . 0.0 110.638 160.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -55.09 -40.47 70.45 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -55.57 -55.13 35.53 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.839 -1.163 . . . . 0.0 112.354 172.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.26 -38.03 87.73 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.622 0.725 . . . . 0.0 112.172 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -63.31 -53.17 56.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.712 1.205 . . . . 0.0 111.341 173.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . 0.407 ' HA ' ' CZ ' ' A' ' 113' ' ' ARG . 87.3 m-20 -68.46 -11.76 60.23 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.156 1.782 . . . . 0.0 114.413 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -39.41 94.46 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.015 0.926 . . . . 0.0 111.193 164.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.06 139.4 58.09 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -118.65 139.01 52.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.264 2.226 . . . . 0.0 111.072 -165.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.76 100.74 11.72 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.084 -1.01 . . . . 0.0 110.087 176.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -76.94 6.79 5.66 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.357 -1.465 . . . . 0.0 113.762 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 75.29 -48.12 0.62 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.165 1.786 . . . . 0.0 113.736 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.18 -56.25 4.0 Favored Glycine 0 CA--C 1.535 1.306 0 O-C-N 121.486 -0.759 . . . . 0.0 112.959 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 13.5 t -151.91 -156.29 0.69 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.019 0.928 . . . . 0.0 111.168 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.55 63.54 1.54 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.769 1.228 . . . . 0.0 112.221 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 C--O 1.24 0.602 0 C-N-CA 125.065 1.346 . . . . 0.0 110.605 179.549 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.6 ttp -86.97 72.56 10.08 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.212 0.605 . . . . 0.0 109.819 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -15.52 87.91 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.766 2.826 . . . . 0.0 116.471 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -74.88 36.7 0.11 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.413 1.885 . . . . 0.0 114.494 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 p -33.45 -58.24 0.41 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.378 3.071 . . . . 0.0 113.77 174.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.97 -23.75 23.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -83.84 45.18 1.05 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.18 -1.575 . . . . 0.0 114.026 -166.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.63 109.05 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.957 1.303 . . . . 0.0 111.727 -174.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 t -76.03 178.52 6.25 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.801 0.81 . . . . 0.0 111.324 168.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.63 64.54 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -160.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.1 p -61.29 -51.22 69.81 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 120.842 -1.161 . . . . 0.0 113.508 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -66.46 -36.7 83.4 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.908 -1.12 . . . . 0.0 112.118 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.37 -46.48 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 120.855 -1.153 . . . . 0.0 111.671 172.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.13 69.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 122.791 1.281 . . . . 0.0 112.225 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.9 t -76.16 -32.58 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 119.977 -1.702 . . . . 0.0 112.18 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.88 -33.24 55.84 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.805 -1.184 . . . . 0.0 113.153 161.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . 0.257 0.0 OUTLIER -66.56 -45.11 80.43 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.728 -0.608 . . . . 0.0 109.869 174.714 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.36 -39.33 82.89 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.619 -1.301 . . . . 0.0 111.914 171.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -55.95 -47.0 78.4 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 117.558 -1.211 . . . . 0.0 113.068 170.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.261 67.0 mm-40 -80.45 -29.12 37.52 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -50.63 -28.7 9.33 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.293 -1.504 . . . . 0.0 110.779 155.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.76 -1.1 41.31 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 35.39 85.74 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 128.464 2.706 . . . . 0.0 115.58 -158.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -137.47 113.51 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 127.007 2.123 . . . . 0.0 111.232 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -66.69 134.69 52.75 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.543 -1.348 . . . . 0.0 109.358 160.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.0 mm -95.11 129.43 35.51 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 124.636 1.174 . . . . 0.0 109.791 171.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.48 122.51 11.89 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 121.882 1.721 . . . . 0.0 111.395 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.7 m -37.67 -41.15 0.46 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.173 2.189 . . . . 0.0 114.084 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -51.96 -41.83 62.41 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.5 mm -51.77 -59.39 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.811 0.815 . . . . 0.0 110.179 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.84 -45.46 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.004 0.922 . . . . 0.0 110.857 -172.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -50.75 -45.46 58.83 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.817 1.647 . . . . 0.0 112.317 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.1 -60.89 2.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.583 0.753 . . . . 0.0 111.538 172.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -46.81 38.29 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.16 0.984 . . . . 0.0 112.944 -169.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.07 -36.07 30.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 O-C-N 121.648 -0.658 . . . . 0.0 112.321 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -72.77 -50.13 26.37 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.248 1.419 . . . . 0.0 111.328 173.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -73.31 70.26 1.17 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.275 1.43 . . . . 0.0 110.958 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -63.35 77.34 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.556 1.542 . . . . 0.0 114.721 -172.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.93 166.44 13.52 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.679 0.792 . . . . 0.0 110.585 163.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -86.18 -62.78 1.44 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.219 -0.926 . . . . 0.0 111.385 -169.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.3 p -102.33 167.39 10.0 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -173.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -42.81 -53.53 4.56 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.841 0.829 . . . . 0.0 112.358 163.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -53.71 -43.6 69.12 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.352 1.072 . . . . 0.0 111.027 -171.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.35 -49.1 70.64 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 123.848 0.859 . . . . 0.0 111.06 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . 0.266 9.5 m -66.26 -40.62 87.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.181 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 4.6 pp -62.82 -30.6 71.61 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.242 -1.537 . . . . 0.0 112.444 173.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -68.0 -57.14 6.64 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.311 -1.493 . . . . 0.0 111.749 172.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -57.0 -53.44 58.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.264 0.625 . . . . 0.0 111.489 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -51.99 -51.25 30.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 123.27 0.628 . . . . 0.0 111.822 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -57.59 -40.44 79.04 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 120.979 1.718 . . . . 0.0 112.518 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.0 m -58.12 -57.77 11.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.691 0.796 . . . . 0.0 111.436 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.97 -33.05 66.67 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.548 1.939 . . . . 0.0 113.206 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -79.87 -16.12 56.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.901 2.48 . . . . 0.0 111.565 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.287 97.8 m -86.05 -37.22 19.13 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 119.899 -1.751 . . . . 0.0 112.595 166.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -48.87 -63.82 0.98 Allowed 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.638 -0.664 . . . . 0.0 111.604 156.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -55.27 -39.84 70.29 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.025 -1.047 . . . . 0.0 113.806 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -52.86 -52.66 56.5 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.827 -1.171 . . . . 0.0 112.54 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.25 -43.93 83.41 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.09 0.859 . . . . 0.0 112.588 175.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -59.21 -33.66 71.24 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.876 -1.14 . . . . 0.0 113.024 170.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -78.26 -10.86 59.84 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 119.617 -1.927 . . . . 0.0 114.229 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -96.31 -50.36 4.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.241 1.816 . . . . 0.0 112.896 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -46.39 147.23 1.2 Allowed 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -168.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.76 108.33 0.17 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 129.838 3.255 . . . . 0.0 117.082 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' B' ' 79' ' ' TYR . 0.3 OUTLIER -107.76 101.15 10.47 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.641 1.176 . . . . 0.0 111.546 168.053 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -12.1 60.36 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -169.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 64.68 -66.69 0.13 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.96 1.704 . . . . 0.0 112.362 -168.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.03 -70.37 1.0 Allowed Glycine 0 CA--C 1.534 1.224 0 O-C-N 121.466 -0.771 . . . . 0.0 112.891 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 35.3 t -73.9 147.73 42.91 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.96 -0.73 . . . . 0.0 112.389 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.63 178.73 3.39 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 122.929 0.492 . . . . 0.0 110.376 162.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.6 tttm . . . . . 0 CA--C 1.54 0.595 0 O-C-N 120.986 -1.071 . . . . 0.0 110.997 -175.825 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 5.0 p80 . . . . . 0 CA--C 1.542 0.67 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 27.9 ttt -63.12 90.56 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.64 -0.662 . . . . 0.0 109.231 166.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -73.42 117.6 15.37 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.84 -1.163 . . . . 0.0 114.085 -157.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 137.01 47.38 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 36.3 p -72.35 68.25 0.75 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.596 1.558 . . . . 0.0 111.811 175.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 97.9 t -126.31 133.1 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.875 0.87 . . . . 0.0 112.049 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -42.3 109.88 0.15 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.059 2.143 . . . . 0.0 114.209 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp 58.33 64.95 1.36 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 122.974 1.369 . . . . 0.0 112.235 173.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.3 m -74.55 160.45 30.87 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.055 0.942 . . . . 0.0 111.66 164.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.46 -52.1 0.84 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -177.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.4 p -59.32 -60.57 3.64 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -61.47 -33.11 73.2 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.277 -1.514 . . . . 0.0 112.501 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -45.17 95.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 O-C-N 121.511 -0.743 . . . . 0.0 111.646 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.9 86.03 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 122.759 1.266 . . . . 0.0 110.843 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.439 HG13 ' CE2' ' B' ' 79' ' ' TYR . 16.1 t -70.26 -36.33 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 O-C-N 120.848 -1.158 . . . . 0.0 111.87 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.37 -25.56 59.68 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 170.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -75.37 -46.21 34.45 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 171.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.3 mt -52.83 -44.75 66.95 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.631 -1.293 . . . . 0.0 109.816 170.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.455 ' HA ' ' CD2' ' A' ' 124' ' ' LEU . 36.7 m-85 -53.93 -61.23 2.44 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.696 0.68 . . . . 0.0 111.913 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -75.46 -44.03 46.28 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -166.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -53.31 -40.19 64.6 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 119.949 -1.719 . . . . 0.0 112.389 169.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.0 t -74.9 -4.44 38.02 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.806 -1.184 . . . . 0.0 113.489 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 66.56 48.47 1.48 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 129.548 3.139 . . . . 0.0 112.937 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 mp -114.88 109.11 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 125.555 1.542 . . . . 0.0 109.159 167.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -72.39 142.93 48.72 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.312 166.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 29.4 mm -105.06 129.47 24.76 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 124.795 1.238 . . . . 0.0 110.169 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -78.71 150.94 24.63 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.031 1.82 . . . . 0.0 111.446 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 7.0 m -36.73 -46.0 0.57 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 126.621 1.968 . . . . 0.0 112.157 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.64 -1.06 12.33 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.643 1.577 . . . . 0.0 115.084 -173.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.22 -44.56 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 120.855 -1.153 . . . . 0.0 109.46 158.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 81.6 mt -72.03 -43.13 67.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 124.976 1.31 . . . . 0.0 110.755 -168.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -28.98 -63.99 0.1 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 128.255 2.622 . . . . 0.0 112.362 164.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.452 ' CG ' ' HH ' ' B' ' 108' ' ' TYR . 7.3 t0 -65.07 -70.23 0.24 Allowed 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.218 1.807 . . . . 0.0 109.108 175.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.27 -47.38 69.17 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -163.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 49.2 t -48.18 -46.97 13.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 O-C-N 121.227 -0.92 . . . . 0.0 113.339 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -84.21 -40.8 17.66 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.301 1.041 . . . . 0.0 112.138 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -50.37 -45.27 55.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.234 1.414 . . . . 0.0 112.017 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 63.85 61.8 0.94 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 160.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.88 165.4 17.7 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.585 -0.697 . . . . 0.0 111.327 167.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -107.67 5.69 27.05 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.733 1.382 . . . . 0.0 114.733 -160.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 19.8 p -153.88 165.0 37.46 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 120.262 -1.524 . . . . 0.0 114.615 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -46.16 -47.0 17.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.802 2.041 . . . . 0.0 111.236 167.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.49 -45.14 95.49 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 122.029 0.919 . . . . 0.0 111.11 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -67.71 -45.31 75.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.281 -0.887 . . . . 0.0 111.005 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 19.7 m -70.2 -34.0 57.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.342 0 O-C-N 121.567 -0.708 . . . . 0.0 111.233 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 pp -67.39 -36.99 82.44 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.899 1.681 . . . . 0.0 112.352 172.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.12 -57.22 13.42 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 122.365 1.079 . . . . 0.0 110.337 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . 0.452 ' HH ' ' CG ' ' B' ' 93' ' ' ASP . 55.7 t80 -60.16 -55.01 39.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.646 1.178 . . . . 0.0 112.598 -176.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 86.8 mt -50.88 -46.91 30.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 O-C-N 121.343 -0.848 . . . . 0.0 111.186 174.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -61.33 -39.58 91.07 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.667 1.121 . . . . 0.0 112.518 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 25.6 m -59.04 -58.4 8.8 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.823 0.849 . . . . 0.0 112.3 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -61.34 -31.47 71.34 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.796 -1.19 . . . . 0.0 112.418 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -71.17 -20.6 62.27 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.151 1.38 . . . . 0.0 111.981 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 98.5 m -78.65 -43.89 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 119.928 -1.732 . . . . 0.0 112.162 168.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -46.09 -66.71 0.36 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.507 0.594 . . . . 0.0 110.444 159.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -56.85 -38.4 72.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.274 0.0 OUTLIER -58.92 -47.9 83.39 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.381 -1.45 . . . . 0.0 112.379 170.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.96 -43.69 95.03 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.383 0.992 . . . . 0.0 111.801 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.449 ' CD ' ' HZ3' ' B' ' 122' ' ' LYS . 42.0 tp10 -59.42 -39.71 84.34 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.733 -1.229 . . . . 0.0 111.881 177.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -71.7 -18.99 62.13 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.323 -1.485 . . . . 0.0 114.14 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -79.37 -32.26 43.09 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.673 1.589 . . . . 0.0 112.212 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . 0.449 ' HZ3' ' CD ' ' B' ' 119' ' ' GLU . 74.8 mttt -48.5 128.63 15.15 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.418 -0.801 . . . . 0.0 112.921 175.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 138.82 55.09 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.708 1.203 . . . . 0.0 113.924 174.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.77 100.57 8.56 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.052 0.842 . . . . 0.0 109.96 149.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -67.36 27.25 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.964 2.106 . . . . 0.0 115.913 -171.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 69.98 -53.09 0.63 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.78 2.032 . . . . 0.0 114.196 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.6 28.99 66.35 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 -165.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 40.0 m 46.81 -121.63 1.18 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.71 1.204 . . . . 0.0 112.683 -176.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 65.2 mt -82.51 66.34 8.06 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.859 0.864 . . . . 0.0 112.194 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.24 0.555 0 C-N-CA 124.789 1.235 . . . . 0.0 110.551 168.503 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.7 ttt -81.94 97.2 7.95 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.966 0.507 . . . . 0.0 110.186 172.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.415 ' CG ' ' HZ2' ' A' ' 64' ' ' LYS . 30.7 t70 -9.2 102.63 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 128.44 2.696 . . . . 0.0 114.988 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HZ2' ' CG ' ' A' ' 63' ' ' ASP 0.321 0.0 OUTLIER 26.4 44.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 118.494 2.775 . . . . 0.0 118.494 -172.668 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.3 m -73.55 78.05 1.46 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.546 -1.346 . . . . 0.0 112.354 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.59 57.1 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 127.166 2.186 . . . . 0.0 114.797 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.28 64.52 4.2 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 119.611 -1.931 . . . . 0.0 111.87 177.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.16 116.12 9.24 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.943 1.297 . . . . 0.0 111.937 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 52.9 p -110.45 171.95 7.16 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.374 1.469 . . . . 0.0 112.093 167.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -28.59 -66.62 0.08 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -159.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.5 p -63.8 -54.08 40.84 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -173.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.491 ' CD ' HH12 ' A' ' 98' ' ' ARG . 22.7 pm0 -60.37 -34.91 74.55 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.145 -1.597 . . . . 0.0 113.093 172.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.4 t -59.8 -47.82 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 120.475 -1.39 . . . . 0.0 110.486 174.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.61 93.78 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.252 1.025 . . . . 0.0 111.607 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.1 t -68.12 -38.3 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 O-C-N 120.627 -1.295 . . . . 0.0 112.012 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -41.0 79.43 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.887 0.875 . . . . 0.0 112.48 168.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.54 -48.41 81.16 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.581 -0.699 . . . . 0.0 110.032 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -55.45 -43.4 75.39 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.055 -1.028 . . . . 0.0 111.798 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.406 ' CD1' HD23 ' B' ' 124' ' ' LEU . 25.7 m-85 -53.14 -51.73 61.02 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 120.601 -1.312 . . . . 0.0 112.692 171.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.06 -31.46 25.35 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.458 1.026 . . . . 0.0 113.621 -167.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -49.89 -32.51 14.73 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.735 -1.228 . . . . 0.0 111.601 154.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -89.48 -8.74 52.25 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 173.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . 0.338 0.2 OUTLIER 54.94 50.41 15.6 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 131.401 3.88 . . . . 0.0 116.443 -163.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -116.62 73.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 120.103 -1.623 . . . . 0.0 112.144 -173.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -61.65 133.91 56.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.61 0.719 . . . . 0.0 112.094 -165.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 26.2 mm -85.24 125.55 69.73 Favored Pre-proline 0 CA--C 1.548 0.898 0 O-C-N 120.536 -1.353 . . . . 0.0 111.056 177.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.98 135.54 25.57 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.007 1.804 . . . . 0.0 109.13 171.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -40.35 -52.61 2.69 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 128.302 2.641 . . . . 0.0 113.113 -174.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -38.76 -47.23 1.36 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.2 mm -52.03 -55.62 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 121.334 -0.854 . . . . 0.0 111.079 173.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.36 -50.8 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.883 0.849 . . . . 0.0 110.518 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -51.86 -29.28 19.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.268 3.027 . . . . 0.0 112.912 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -83.87 -65.76 0.97 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.643 1.577 . . . . 0.0 112.469 166.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.29 -47.47 36.38 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.227 2.611 . . . . 0.0 112.858 -169.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 51.5 t -47.12 -42.66 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.281 1.032 . . . . 0.0 113.347 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -70.96 -50.33 35.75 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.262 -0.899 . . . . 0.0 111.749 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -77.37 69.87 3.68 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 122.337 1.065 . . . . 0.0 111.223 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.491 HH12 ' CD ' ' A' ' 72' ' ' GLU . 8.8 tpm_? -49.56 77.76 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.591 2.356 . . . . 0.0 114.699 -178.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.65 160.85 21.76 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.256 -0.903 . . . . 0.0 110.498 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -81.16 -62.08 1.76 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.574 1.149 . . . . 0.0 110.82 -171.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 t -102.63 153.66 19.89 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -166.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.412 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 29.4 mp0 -35.43 -51.59 0.61 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 128.018 2.527 . . . . 0.0 110.776 157.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -61.25 -40.81 95.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.112 -0.993 . . . . 0.0 112.009 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -72.05 -48.0 47.6 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.945 0.898 . . . . 0.0 111.379 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.3 m -63.78 -40.04 87.61 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 O-C-N 121.405 -0.809 . . . . 0.0 110.214 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.252 1.5 pp -67.2 -37.69 84.08 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 118.581 -1.248 . . . . 0.0 111.586 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -55.01 -57.52 11.37 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.516 -1.365 . . . . 0.0 111.943 170.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -53.67 -58.08 8.5 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.72 0.808 . . . . 0.0 111.596 177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 93.0 mt -55.54 -53.65 34.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.071 0.948 . . . . 0.0 112.083 -177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -54.58 -48.24 72.36 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.058 -1.027 . . . . 0.0 112.171 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.1 m -56.96 -56.31 23.4 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.824 0.45 . . . . 0.0 111.639 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -66.65 -37.43 84.8 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.685 -0.634 . . . . 0.0 112.148 -174.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.0 ptm85 -66.57 -25.92 66.87 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.61 -1.931 . . . . 0.0 111.702 172.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 m -70.74 -39.18 73.47 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.887 -1.133 . . . . 0.0 113.809 165.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -57.07 7.45 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.97 1.259 . . . . 0.0 110.66 163.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -52.15 -44.94 64.81 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -49.71 -48.87 49.58 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.47 -1.394 . . . . 0.0 111.511 172.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.2 -46.27 91.16 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -51.61 -36.39 45.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.251 -1.531 . . . . 0.0 112.721 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -82.13 -0.54 45.27 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.573 -1.329 . . . . 0.0 113.648 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -112.23 -42.25 3.76 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.25 2.22 . . . . 0.0 112.75 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -50.0 154.42 1.12 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -174.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.58 132.99 55.44 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.044 1.737 . . . . 0.0 115.153 -176.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.4 HD13 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -125.35 130.17 51.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.96 0.904 . . . . 0.0 109.045 156.032 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.61 -1.7 11.96 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 63.99 -67.15 0.11 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.575 1.95 . . . . 0.0 114.561 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.97 -74.04 0.12 Allowed Glycine 0 CA--C 1.539 1.55 0 CA-C-N 119.05 0.841 . . . . 0.0 114.753 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 87.0 p -75.48 61.91 1.33 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.336 1.455 . . . . 0.0 113.543 -172.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -66.42 165.38 14.39 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.242 -0.911 . . . . 0.0 111.982 168.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 45.1 tptt . . . . . 0 CA--C 1.543 0.689 0 O-C-N 120.949 -1.094 . . . . 0.0 113.553 -175.018 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.475 ' HE2' ' CD ' ' B' ' 102' ' ' GLU . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 41.9 ttp -67.6 155.06 40.04 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.95 155.56 27.01 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.144 0.978 . . . . 0.0 111.376 164.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -123.0 59.89 1.05 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.833 1.253 . . . . 0.0 110.414 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 8.3 m 56.58 49.48 14.58 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.761 1.624 . . . . 0.0 110.049 -176.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.392 0.8 OUTLIER 52.99 -66.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 129.02 2.928 . . . . 0.0 116.455 -172.097 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -40.95 88.18 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.211 2.204 . . . . 0.0 115.832 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp 55.75 85.87 0.07 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 122.479 1.133 . . . . 0.0 112.094 -173.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 6.6 m -105.21 179.14 4.36 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.501 1.921 . . . . 0.0 111.235 170.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.95 -68.2 0.15 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -169.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 2.4 p -58.35 -57.15 14.19 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -175.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -60.27 -39.38 86.62 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.829 -1.169 . . . . 0.0 112.077 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.73 -48.13 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.414 -0.804 . . . . 0.0 111.372 173.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.51 -49.12 78.55 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.597 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 14.2 t -69.77 -31.48 48.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 O-C-N 121.239 -0.913 . . . . 0.0 111.623 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.34 -32.3 69.98 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 167.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.92 -50.01 58.56 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 170.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.08 -40.22 67.04 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.276 -1.515 . . . . 0.0 111.52 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' A' ' 124' ' ' LEU . 24.8 m-85 -52.12 -66.0 0.46 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.361 0.982 . . . . 0.0 113.377 168.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -77.32 -32.28 55.14 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.696 1.134 . . . . 0.0 113.222 -168.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -56.66 -40.8 76.14 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.151 -1.593 . . . . 0.0 110.952 162.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -78.94 1.66 22.93 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.867 -1.146 . . . . 0.0 113.828 170.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.78 32.46 2.47 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.277 2.231 . . . . 0.0 111.761 170.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.1 mt -106.73 120.8 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 126.716 2.007 . . . . 0.0 111.069 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -75.26 152.71 38.24 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 118.856 -1.138 . . . . 0.0 112.232 162.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 34.4 mm -114.27 126.76 27.58 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.674 1.99 . . . . 0.0 109.767 170.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.6 138.63 67.02 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.521 2.148 . . . . 0.0 112.834 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.2 -49.36 12.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.926 0.89 . . . . 0.0 111.856 173.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.69 -46.99 5.27 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.26 -57.02 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 121.339 -0.85 . . . . 0.0 109.274 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.96 -45.4 87.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.396 0.678 . . . . 0.0 110.727 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -49.01 -57.23 6.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.712 1.605 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -72.26 -55.79 6.6 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.469 -0.769 . . . . 0.0 111.854 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -43.55 -46.36 7.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.797 1.639 . . . . 0.0 112.973 -177.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 51.0 t -54.61 -64.87 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 123.244 0.617 . . . . 0.0 111.92 168.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -35.12 65.67 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -174.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -61.18 -24.21 66.15 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 46.73 63.61 1.85 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 122.868 1.318 . . . . 0.0 112.989 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 32.6 mt -67.34 160.69 26.73 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.946 -1.096 . . . . 0.0 111.982 172.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -84.14 -48.35 9.93 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.324 1.05 . . . . 0.0 112.838 -157.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 46.4 p -145.61 174.36 11.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.283 1.039 . . . . 0.0 113.693 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.475 ' CD ' ' HE2' ' B' ' 61' ' ' HIS . 48.6 mp0 -38.31 -43.72 0.83 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 130.378 3.471 . . . . 0.0 112.569 175.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -60.71 -50.22 74.35 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.399 -0.813 . . . . 0.0 111.856 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -68.95 -37.65 78.98 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.281 -0.887 . . . . 0.0 112.312 -177.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.03 -44.37 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.563 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.4 pp -64.32 -36.23 83.45 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.16 1.345 . . . . 0.0 111.685 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -57.28 -62.17 1.95 Allowed 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.034 -1.041 . . . . 0.0 111.309 172.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -51.98 -56.28 15.22 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.456 0.702 . . . . 0.0 110.733 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.1 mt -57.05 -58.1 7.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 C-N-CA 122.77 0.428 . . . . 0.0 110.238 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.03 -37.56 69.37 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.71 -1.244 . . . . 0.0 112.715 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 64.9 m -63.05 -59.38 4.88 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.647 -0.658 . . . . 0.0 112.457 172.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -67.68 -34.79 77.61 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 122.267 1.032 . . . . 0.0 111.802 -174.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -54.01 -43.87 70.44 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.814 1.646 . . . . 0.0 111.122 165.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.262 53.3 m -64.57 -44.61 90.16 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 119.894 -1.754 . . . . 0.0 113.579 174.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -46.46 -58.08 4.09 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.553 0.615 . . . . 0.0 111.256 162.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -50.8 -48.45 59.57 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -57.51 -41.67 81.26 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.398 -1.439 . . . . 0.0 113.089 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.15 -45.21 74.17 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.256 0.934 . . . . 0.0 112.569 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -49.74 -34.11 18.09 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.267 -1.521 . . . . 0.0 112.249 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -90.02 20.94 3.93 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 120.323 -1.485 . . . . 0.0 112.668 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -121.86 -25.14 5.07 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.683 1.993 . . . . 0.0 113.311 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -75.2 58.09 0.9 Allowed 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -164.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.97 92.11 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.871 2.915 . . . . 0.0 118.871 162.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' A' ' 79' ' ' TYR . 20.7 tp -88.81 114.32 25.31 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 119.789 -1.819 . . . . 0.0 112.717 165.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -81.66 -36.9 28.28 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.443 1.497 . . . . 0.0 113.826 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 36.42 47.11 0.47 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.691 1.996 . . . . 0.0 116.331 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 49.59 32.26 16.1 Favored Glycine 0 CA--C 1.543 1.786 0 N-CA-C 114.658 0.623 . . . . 0.0 114.658 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . 0.283 11.4 p 87.07 -89.02 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.05 2.54 . . . . 0.0 112.906 -170.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.2 mp 36.34 91.68 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.684 2.394 . . . . 0.0 115.233 174.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? . . . . . 0 CA--C 1.536 0.435 0 O-C-N 120.748 -1.22 . . . . 0.0 111.499 167.529 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.05 76.07 1.34 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.041 1.736 . . . . 0.0 112.839 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -68.78 57.82 0.09 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.648 1.979 . . . . 0.0 113.901 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.3 169.67 16.87 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.691 -1.256 . . . . 0.0 113.188 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.5 p -67.5 109.98 3.45 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.087 0.955 . . . . 0.0 111.77 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.17 50.82 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 125.75 1.62 . . . . 0.0 114.133 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.34 57.83 3.38 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 119.452 -2.03 . . . . 0.0 110.186 176.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.3 mt -118.35 101.87 8.52 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.697 1.199 . . . . 0.0 112.059 -165.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -70.34 -179.25 1.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.632 0.729 . . . . 0.0 111.409 162.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.74 30.81 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -162.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -64.27 -46.56 83.14 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.426 -1.421 . . . . 0.0 112.789 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -68.73 -32.09 71.63 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.574 -1.329 . . . . 0.0 113.005 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -45.22 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 119.648 -1.908 . . . . 0.0 111.427 171.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.46 -30.07 69.69 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.984 0.897 . . . . 0.0 112.315 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -42.48 40.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 120.326 -1.483 . . . . 0.0 112.12 173.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.01 -36.61 8.03 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.29 -0.881 . . . . 0.0 112.381 162.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . 0.259 0.0 OUTLIER -66.62 -46.42 75.92 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.506 -0.746 . . . . 0.0 110.872 173.322 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.07 -42.84 63.5 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.504 -1.372 . . . . 0.0 111.145 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.4 ' CE1' HD12 ' B' ' 124' ' ' LEU . 52.8 m-85 -61.77 -58.96 5.98 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 172.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.33 -27.7 42.1 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.369 1.44 . . . . 0.0 114.067 -170.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.49 -18.86 54.44 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.218 -1.551 . . . . 0.0 112.141 158.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -100.22 7.66 44.32 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.434 -1.416 . . . . 0.0 114.582 164.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 p30 47.95 32.53 2.87 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 129.749 3.22 . . . . 0.0 115.665 -170.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.5 mt -87.48 117.98 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 125.183 1.393 . . . . 0.0 111.435 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -71.74 139.03 48.92 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.136 -0.977 . . . . 0.0 110.743 166.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.2 128.9 24.83 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 126.039 1.736 . . . . 0.0 108.876 172.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.19 140.82 71.34 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.28 1.987 . . . . 0.0 113.066 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.8 t -39.82 -47.92 2.18 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.655 1.582 . . . . 0.0 111.568 162.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.42 -47.69 62.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.345 1.058 . . . . 0.0 113.443 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 mm -57.82 -48.17 84.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 120.657 -1.277 . . . . 0.0 109.946 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.1 -45.21 99.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 O-C-N 121.598 -0.689 . . . . 0.0 110.121 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -50.71 -50.76 54.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.225 1.81 . . . . 0.0 112.331 173.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -63.62 -69.2 0.29 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.164 0.985 . . . . 0.0 109.723 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -43.2 69.13 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.792 1.637 . . . . 0.0 113.528 -168.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.85 -33.17 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 O-C-N 120.386 -1.446 . . . . 0.0 112.617 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -54.75 6.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.922 0.889 . . . . 0.0 110.265 165.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 48.54 0.43 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 128.396 2.678 . . . . 0.0 113.316 -174.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.2 ttm105 -73.98 88.28 1.86 Allowed 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.707 -1.245 . . . . 0.0 112.739 -171.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.87 161.4 15.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.136 0.975 . . . . 0.0 110.615 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.18 -62.55 1.59 Allowed 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.815 -1.178 . . . . 0.0 110.429 -158.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.5 t -82.04 148.54 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.088 0.955 . . . . 0.0 112.591 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -39.24 -40.82 0.8 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.13 0.972 . . . . 0.0 112.59 159.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -58.15 -53.22 60.68 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.464 0.65 . . . . 0.0 111.108 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.93 -50.4 73.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.745 -0.597 . . . . 0.0 110.869 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.1 m -62.52 -37.93 80.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.919 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.291 0.9 OUTLIER -68.14 -36.46 79.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 120.457 1.48 . . . . 0.0 112.806 174.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.14 -55.67 29.68 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.796 0.808 . . . . 0.0 110.178 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.9 -51.94 67.54 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.834 0.854 . . . . 0.0 112.154 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -53.5 -52.98 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 O-C-N 121.441 -0.787 . . . . 0.0 110.588 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.9 -38.37 67.52 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.857 -1.152 . . . . 0.0 112.096 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.9 m -61.77 -59.19 5.53 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.585 -0.697 . . . . 0.0 112.509 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.41 -36.63 78.6 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 120.635 -1.291 . . . . 0.0 111.795 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -60.14 -30.54 69.36 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 119.914 -1.741 . . . . 0.0 111.99 169.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.2 m -75.7 -40.36 55.94 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.741 -1.224 . . . . 0.0 113.03 172.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -46.87 -54.38 10.06 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.142 0.883 . . . . 0.0 110.382 159.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -54.71 -43.53 72.64 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 175.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -48.29 -53.63 16.61 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.458 1.481 . . . . 0.0 111.049 170.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.92 -51.41 70.14 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.85 -0.531 . . . . 0.0 112.234 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -63.95 -14.42 53.64 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.801 -1.187 . . . . 0.0 113.942 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.3 -18.97 22.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 119.74 -1.85 . . . . 0.0 114.154 167.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -89.14 -47.19 8.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.963 2.105 . . . . 0.0 113.029 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -53.1 150.58 5.65 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -170.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.48 136.18 45.88 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.384 1.874 . . . . 0.0 115.385 -171.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.3 tp -126.24 125.63 42.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.021 1.328 . . . . 0.0 110.198 160.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.11 34.6 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.703 1.601 . . . . 0.0 114.952 177.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 61.72 -78.65 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.613 1.965 . . . . 0.0 113.227 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.71 78.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -163.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.7 m 45.14 32.86 0.99 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.521 1.528 . . . . 0.0 114.527 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 37.24 49.01 0.85 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.09 1.756 . . . . 0.0 113.768 -172.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 82.1 tttt . . . . . 0 CA--C 1.538 0.505 0 O-C-N 120.96 -1.087 . . . . 0.0 111.8 -174.796 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 31.1 ttp -81.29 59.09 3.82 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.72 1.146 . . . . 0.0 111.467 -178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -159.78 -160.03 0.78 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.869 1.668 . . . . 0.0 110.307 -175.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -42.71 111.4 0.25 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.358 1.863 . . . . 0.0 113.428 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 75.1 p -77.92 69.37 4.14 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.824 -1.172 . . . . 0.0 112.972 -169.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.1 161.39 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 163.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.78 69.68 0.68 Allowed 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.601 -1.312 . . . . 0.0 113.732 -173.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.2 99.08 0.86 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.115 1.366 . . . . 0.0 110.885 170.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.6 p -75.55 178.99 5.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.659 0.784 . . . . 0.0 111.158 167.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.69 -54.42 42.06 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -157.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.8 p -62.74 -50.61 70.41 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.874 -1.141 . . . . 0.0 112.917 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 pm0 -63.98 -42.45 97.22 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.536 -1.353 . . . . 0.0 112.476 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -38.16 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 O-C-N 120.029 -1.669 . . . . 0.0 111.952 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.33 -52.93 42.14 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.72 0.772 . . . . 0.0 111.267 175.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.87 -35.95 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 120.933 -1.104 . . . . 0.0 111.485 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -41.71 76.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.428 1.091 . . . . 0.0 112.387 169.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.46 -51.73 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.481 -0.762 . . . . 0.0 109.686 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.8 mt -49.49 -43.46 45.28 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.389 -0.819 . . . . 0.0 112.941 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -53.27 -53.3 52.85 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.069 1.304 . . . . 0.0 112.502 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.67 -43.56 96.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.562 0.745 . . . . 0.0 111.695 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -53.83 -40.55 66.52 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.376 1.084 . . . . 0.0 110.758 167.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -8.1 54.45 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 173.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 66.3 56.22 0.81 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 128.058 2.543 . . . . 0.0 112.674 -171.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.5 mt -126.31 119.88 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.764 1.226 . . . . 0.0 110.912 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -75.89 138.97 41.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.285 161.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 mm -95.43 130.47 32.06 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 125.205 1.402 . . . . 0.0 110.086 170.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.91 131.67 43.48 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.561 2.174 . . . . 0.0 111.415 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.0 m -45.42 -46.04 13.17 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.183 1.393 . . . . 0.0 112.064 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -43.09 -43.24 4.33 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.2 mm -56.98 -54.88 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 O-C-N 120.607 -1.308 . . . . 0.0 109.883 173.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.16 -42.23 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 123.942 0.897 . . . . 0.0 111.449 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -52.13 -53.1 46.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.413 1.885 . . . . 0.0 112.158 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -68.67 -63.56 1.04 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.926 1.691 . . . . 0.0 112.274 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.05 -48.07 11.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.534 2.334 . . . . 0.0 113.878 -164.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 94.1 t -54.03 -37.95 36.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 O-C-N 121.422 -0.798 . . . . 0.0 112.948 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -74.08 -44.83 52.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.065 0.946 . . . . 0.0 111.869 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -52.87 -38.21 61.31 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.048 0.928 . . . . 0.0 110.935 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? 62.5 43.09 8.09 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.992 1.317 . . . . 0.0 114.228 161.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.16 160.66 17.9 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.391 -0.818 . . . . 0.0 112.223 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -82.52 -63.63 1.33 Allowed 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.294 -0.879 . . . . 0.0 111.212 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 25.2 p -104.66 164.88 11.44 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -169.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -50.0 -41.42 47.06 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.181 1.792 . . . . 0.0 111.449 172.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -62.12 -43.67 98.31 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.401 -0.812 . . . . 0.0 112.135 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.06 -50.36 62.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.751 -0.593 . . . . 0.0 110.796 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 17.9 m -63.19 -42.08 95.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.788 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.07 -41.58 97.28 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.106 1.321 . . . . 0.0 111.712 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . 0.285 5.9 p30 -73.96 -43.16 59.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.969 1.259 . . . . 0.0 113.09 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -60.01 -51.85 67.91 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.422 -0.799 . . . . 0.0 111.717 172.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 77.3 mt -51.88 -53.25 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 O-C-N 121.39 -0.819 . . . . 0.0 109.966 176.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.19 -36.57 70.98 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.082 -1.011 . . . . 0.0 112.93 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 67.6 m -61.52 -56.75 16.59 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.253 -0.904 . . . . 0.0 112.177 171.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.72 -34.34 72.79 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.823 -1.173 . . . . 0.0 112.274 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -68.55 -20.89 64.56 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.509 1.923 . . . . 0.0 111.902 172.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.29 76.8 m -80.03 -47.44 14.9 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 119.069 -2.269 . . . . 0.0 112.674 170.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -47.57 -51.62 20.36 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.331 0.514 . . . . 0.0 112.078 161.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -56.61 -49.85 73.71 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.301 13.0 pttm -52.98 -42.43 65.53 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 121.142 1.792 . . . . 0.0 113.228 170.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.88 -47.32 83.09 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.871 1.214 . . . . 0.0 112.469 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -62.49 -30.22 71.11 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.03 -1.669 . . . . 0.0 113.474 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -73.72 -20.46 60.51 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 119.425 -2.047 . . . . 0.0 113.092 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -94.52 -51.4 4.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.702 2.401 . . . . 0.0 113.449 -175.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -41.91 139.64 1.23 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.096 1.758 . . . . 0.0 115.699 -168.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 127.11 22.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.901 1.281 . . . . 0.0 114.426 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.4 HD12 ' CE1' ' A' ' 79' ' ' TYR . 1.1 tt -111.37 111.19 22.06 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 158.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.41 1.21 3.17 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -171.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 11.9 mmp_? 70.57 -50.59 0.66 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.239 1.816 . . . . 0.0 113.863 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 73.71 -165.53 54.78 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 123.61 0.624 . . . . 0.0 112.168 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.4 m -71.81 59.72 0.35 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.009 1.324 . . . . 0.0 113.266 -176.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 43.7 mt 49.07 40.42 17.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.992 1.317 . . . . 0.0 112.701 -169.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 65.8 tttm . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 123.516 0.726 . . . . 0.0 111.79 -179.748 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 119.685 -0.198 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 14.4 mmt -101.92 81.89 2.18 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.916 0.886 . . . . 0.0 111.987 -175.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.84 62.88 0.29 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.587 1.155 . . . . 0.0 111.756 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HZ3' ' CD ' ' A' ' 92' ' ' GLU . 1.4 tmtp? -141.45 120.41 12.79 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.719 1.208 . . . . 0.0 112.243 -162.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.1 m -48.47 111.21 0.42 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.975 1.31 . . . . 0.0 113.727 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.5 t -72.24 69.9 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 124.713 1.205 . . . . 0.0 111.83 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.03 64.47 3.96 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.735 -1.228 . . . . 0.0 111.755 -178.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.77 102.02 0.54 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.717 0.77 . . . . 0.0 112.597 176.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -62.39 163.11 9.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.6 1.96 . . . . 0.0 111.347 170.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.28 -52.79 41.86 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -169.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.3 p -62.51 -48.06 81.21 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.444 -1.41 . . . . 0.0 113.372 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -63.29 -44.85 93.86 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.038 -1.039 . . . . 0.0 111.913 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -44.12 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 120.699 -1.25 . . . . 0.0 111.549 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.43 86.36 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.038 0.923 . . . . 0.0 111.557 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.8 t -74.65 -39.38 46.69 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 O-C-N 120.907 -1.12 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -40.85 29.66 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.121 -0.987 . . . . 0.0 113.068 161.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.53 -49.73 45.14 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.786 -0.571 . . . . 0.0 109.862 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.7 mt -50.64 -44.19 57.3 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.751 -1.218 . . . . 0.0 112.081 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -51.1 -52.81 40.01 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.087 -1.008 . . . . 0.0 112.601 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -76.76 -26.7 54.83 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 120.273 1.397 . . . . 0.0 114.247 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -56.57 -25.88 53.7 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 119.601 -1.937 . . . . 0.0 111.712 158.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.43 3.67 55.0 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 170.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 37.83 67.75 0.36 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.212 2.605 . . . . 0.0 115.395 -156.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.2 mt -121.32 110.93 29.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 125.063 1.345 . . . . 0.0 111.022 170.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -72.97 148.39 44.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 120.024 -0.67 . . . . 0.0 109.58 166.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mm -114.3 126.05 28.47 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 124.774 1.23 . . . . 0.0 109.734 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.76 130.04 37.82 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.247 1.965 . . . . 0.0 111.153 172.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 m -44.49 -38.94 4.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.462 1.105 . . . . 0.0 113.639 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.46 -43.94 17.02 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 171.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.9 mm -56.09 -55.38 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.137 -0.977 . . . . 0.0 109.922 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.35 -41.93 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 124.219 1.007 . . . . 0.0 111.051 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.472 ' CD ' ' HZ3' ' A' ' 64' ' ' LYS . 20.3 tp10 -46.34 -59.13 3.13 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.065 1.346 . . . . 0.0 111.456 172.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -71.21 -49.72 40.57 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.741 0.817 . . . . 0.0 112.232 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -47.16 -54.08 11.51 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.216 -0.928 . . . . 0.0 111.526 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.6 t -59.48 -34.84 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 174.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -58.73 -46.6 87.03 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 120.026 -1.671 . . . . 0.0 111.764 169.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -81.73 -68.48 0.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 63.22 89.62 0.09 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 128.563 2.745 . . . . 0.0 112.062 -168.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.88 175.47 8.02 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.47 0.653 . . . . 0.0 112.595 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -58.17 -39.9 80.06 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.341 -0.849 . . . . 0.0 112.945 -163.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 p -169.29 174.91 5.84 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.125 0.97 . . . . 0.0 112.082 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.451 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 3.1 mp0 -35.58 -54.54 0.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 129.527 3.131 . . . . 0.0 113.204 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.55 -43.44 98.8 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.349 -0.844 . . . . 0.0 111.838 -178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.26 -39.45 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.447 -0.783 . . . . 0.0 112.298 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.05 -48.98 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.963 172.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 4.0 pp -61.69 -35.26 77.49 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.632 -1.292 . . . . 0.0 112.872 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -55.98 -59.51 4.8 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.62 -1.3 . . . . 0.0 111.561 170.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.56 -52.98 63.19 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.229 1.012 . . . . 0.0 111.462 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.8 mt -53.16 -51.89 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.839 0.856 . . . . 0.0 111.188 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.96 -38.87 73.58 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.305 -1.497 . . . . 0.0 112.251 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.4 m -58.72 -59.04 6.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.384 0.674 . . . . 0.0 111.563 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.36 -34.67 69.06 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.92 -1.112 . . . . 0.0 113.641 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -72.01 -22.18 61.45 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.255 1.822 . . . . 0.0 111.512 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.261 99.4 m -79.64 -41.67 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 119.7 -1.875 . . . . 0.0 112.359 169.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -48.08 -59.82 3.09 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.579 0.627 . . . . 0.0 111.106 158.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -51.73 -46.22 63.92 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.252 14.1 pttm -60.12 -48.24 82.55 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.4 -1.437 . . . . 0.0 114.121 169.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.15 -46.97 84.7 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.482 1.492 . . . . 0.0 112.838 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -44.28 -54.6 5.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.844 1.658 . . . . 0.0 111.152 164.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -66.02 -26.99 67.78 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.215 -1.553 . . . . 0.0 113.707 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -69.99 -19.67 63.33 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.755 1.622 . . . . 0.0 112.915 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -56.04 130.07 42.47 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.898 -1.126 . . . . 0.0 113.219 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 141.94 22.15 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 170.304 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.409 HD11 ' CE1' ' B' ' 79' ' ' TYR . 0.1 OUTLIER -127.6 122.39 33.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.521 1.528 . . . . 0.0 109.064 155.137 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -72.01 24.41 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? 65.88 -62.73 0.24 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.327 1.851 . . . . 0.0 114.311 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 71.25 -81.24 0.48 Allowed Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.171 -0.956 . . . . 0.0 112.517 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.9 t -76.99 116.84 18.01 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.093 0.946 . . . . 0.0 110.925 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 90.4 mt -126.46 66.21 1.24 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.048 1.339 . . . . 0.0 110.368 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? . . . . . 0 CA--C 1.541 0.628 0 O-C-N 120.609 -1.307 . . . . 0.0 111.857 -171.887 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.408 ' CE1' ' SG ' ' B' ' 71' ' ' CYS . 6.5 t-160 . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.734 0.302 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 91.5 mtp -58.82 133.1 55.69 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.023 0.529 . . . . 0.0 111.192 172.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -115.02 112.11 22.15 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -169.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -74.44 69.19 1.64 Allowed 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.972 -1.08 . . . . 0.0 109.135 156.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 25.7 m -42.18 -31.33 0.37 Allowed 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 117.502 2.408 . . . . 0.0 117.502 -164.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.1 t -63.74 79.55 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 121.139 -0.976 . . . . 0.0 110.765 165.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.6 t30 55.69 118.03 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 128.485 2.714 . . . . 0.0 116.162 166.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 96.4 mt 68.68 101.21 0.06 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 174.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 47.7 m -122.94 -168.25 1.72 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.696 1.998 . . . . 0.0 112.272 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.72 -74.12 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 -157.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.408 ' SG ' ' CE1' ' B' ' 61' ' ' HIS . 14.6 p -64.58 -43.67 93.12 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 -65.93 -35.66 81.21 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.023 -1.048 . . . . 0.0 112.626 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.96 -49.69 78.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.194 -0.941 . . . . 0.0 110.94 172.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.93 82.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 122.401 1.096 . . . . 0.0 111.097 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.47 -33.02 60.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.082 -1.011 . . . . 0.0 111.837 175.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.67 -29.24 69.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 168.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -78.04 -45.35 23.87 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.796 -0.565 . . . . 0.0 110.199 172.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 46.5 mt -50.7 -41.27 55.8 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 119.257 -2.152 . . . . 0.0 111.03 169.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.409 ' CE1' HD11 ' A' ' 124' ' ' LEU . 16.1 m-85 -58.22 -58.04 10.24 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 120.935 -1.103 . . . . 0.0 113.798 166.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -78.57 -32.94 47.95 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 120.137 1.335 . . . . 0.0 113.51 -165.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -43.96 -47.63 8.56 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.03 -1.669 . . . . 0.0 111.009 154.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -79.79 3.2 20.26 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.075 1.35 . . . . 0.0 113.0 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 42.05 58.06 3.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.43 3.092 . . . . 0.0 115.072 -164.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 21.3 mt -108.24 112.46 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.556 1.143 . . . . 0.0 111.663 170.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 50.6 ttp85 -86.81 115.27 24.12 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.162 -0.961 . . . . 0.0 109.796 166.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.35 132.91 89.45 Favored Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 120.548 -1.345 . . . . 0.0 111.45 173.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.53 135.88 29.65 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.844 1.696 . . . . 0.0 109.324 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 33.6 p -49.41 -38.62 29.65 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.595 1.958 . . . . 0.0 114.548 -171.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -44.19 -51.47 8.14 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.492 1.117 . . . . 0.0 113.162 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 mm -48.81 -52.31 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 121.982 0.896 . . . . 0.0 110.459 172.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -65.8 -42.54 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.65 -171.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -48.25 -70.24 0.1 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.506 0.593 . . . . 0.0 110.867 169.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -53.03 -51.82 60.46 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 122.682 1.229 . . . . 0.0 110.388 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.79 -43.73 90.53 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.32 -0.863 . . . . 0.0 112.944 -178.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.5 t -58.06 -35.79 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 121.156 -0.965 . . . . 0.0 112.703 171.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -66.38 -63.86 0.98 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.33 0.968 . . . . 0.0 112.407 169.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -65.96 -43.57 87.53 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.221 -0.925 . . . . 0.0 112.893 -171.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 57.15 72.47 0.51 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 168.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.23 171.7 1.28 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.799 1.285 . . . . 0.0 114.339 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.86 -66.12 0.59 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 120.743 -1.223 . . . . 0.0 110.344 -164.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.37 173.46 11.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.177 0.991 . . . . 0.0 113.046 -167.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.449 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.3 mp0 -44.65 -54.64 5.96 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 127.502 2.321 . . . . 0.0 112.499 -170.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.6 -39.88 77.86 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.502 -0.749 . . . . 0.0 111.617 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -69.32 -50.82 43.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.843 -0.536 . . . . 0.0 111.342 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 34.7 m -64.06 -37.45 79.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 C-N-CA 119.18 -1.008 . . . . 0.0 111.035 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.74 -39.36 76.82 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.358 1.436 . . . . 0.0 112.578 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -46.28 84.74 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.375 0.989 . . . . 0.0 111.176 175.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -58.64 -55.62 32.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.476 0.71 . . . . 0.0 112.122 175.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.8 mt -51.12 -54.52 10.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 124.063 0.945 . . . . 0.0 110.86 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -31.56 72.77 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.168 -0.957 . . . . 0.0 111.876 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -61.95 -58.6 7.28 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.091 -1.005 . . . . 0.0 113.142 168.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -57.33 -35.74 70.25 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.397 -1.439 . . . . 0.0 111.212 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 19.8 ttt85 -68.46 -30.59 69.49 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 119.775 -1.828 . . . . 0.0 112.121 174.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.2 m -68.37 -43.61 77.02 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.038 1.335 . . . . 0.0 112.492 168.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -47.84 -53.57 15.15 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.582 0.628 . . . . 0.0 110.15 162.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -54.91 -40.69 70.1 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -50.74 -58.03 6.91 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 120.611 1.55 . . . . 0.0 110.643 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.14 -45.48 91.71 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.863 0.839 . . . . 0.0 111.983 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -53.62 -39.95 65.36 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.8 -1.187 . . . . 0.0 112.083 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -74.29 -17.24 60.88 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.245 -1.534 . . . . 0.0 114.448 172.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -80.8 -38.15 28.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.374 1.87 . . . . 0.0 111.955 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -47.26 149.9 0.95 Allowed 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 134.09 36.36 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.222 1.809 . . . . 0.0 114.738 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 15.7 tp -112.54 119.38 37.98 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.724 0.81 . . . . 0.0 109.243 152.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.44 27.62 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.449 1.899 . . . . 0.0 115.765 -176.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? 63.87 -65.91 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.699 1.999 . . . . 0.0 113.523 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.39 -93.92 0.31 Allowed Glycine 0 CA--C 1.535 1.324 0 CA-C-N 118.438 0.563 . . . . 0.0 112.401 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 49.0 m -73.99 72.22 1.61 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -57.52 147.34 27.08 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.513 -0.742 . . . . 0.0 110.876 157.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 48.3 tttp . . . . . 0 CA--C 1.543 0.677 0 O-C-N 121.13 -0.981 . . . . 0.0 113.161 -167.229 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 13.1 ttt -80.11 41.99 0.54 Allowed 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -68.51 107.41 2.91 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 161.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.7 33.23 4.67 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.857 1.263 . . . . 0.0 111.674 176.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.7 m -80.08 121.27 25.33 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.763 1.225 . . . . 0.0 111.664 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.326 2.8 p 57.49 -45.75 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 130.756 3.622 . . . . 0.0 118.949 172.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.84 166.69 5.32 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -175.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.354 6.8 mp 66.56 47.72 1.6 Allowed 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 122.728 1.252 . . . . 0.0 111.876 -114.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.9 t -83.83 -172.03 3.93 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.702 2.001 . . . . 0.0 111.704 161.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.09 -58.85 5.31 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -170.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.4 p -63.57 -49.35 73.73 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.375 -0.828 . . . . 0.0 113.098 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 pm0 -69.12 -33.21 73.1 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.887 -1.133 . . . . 0.0 112.568 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.37 -48.44 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 120.764 -1.21 . . . . 0.0 111.008 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.4 -39.92 70.77 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.151 0.977 . . . . 0.0 111.237 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.251 8.6 t -71.89 -33.84 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 O-C-N 121.532 -0.73 . . . . 0.0 112.653 176.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.09 -33.64 76.23 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 168.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -70.06 -50.49 40.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.598 -0.689 . . . . 0.0 109.202 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -52.05 -45.15 64.58 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.603 -1.311 . . . . 0.0 111.386 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -49.43 -49.09 46.61 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.077 -1.014 . . . . 0.0 112.798 170.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -83.42 -29.88 27.77 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.12 -17.81 20.86 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 119.198 -2.189 . . . . 0.0 112.174 154.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.83 -1.62 45.76 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 165.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 47.63 59.78 3.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 130.019 3.328 . . . . 0.0 114.508 -164.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.4 mt -112.62 98.39 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 124.389 1.076 . . . . 0.0 111.234 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.2 73.46 7.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.055 176.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.5 mm -32.1 129.15 0.32 Allowed Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 126.665 1.986 . . . . 0.0 113.631 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -71.69 139.11 33.25 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.902 1.735 . . . . 0.0 109.74 170.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.0 p -48.46 -42.14 31.62 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 125.878 1.671 . . . . 0.0 112.905 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.71 -49.54 4.27 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 172.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 mm -49.32 -55.63 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.923 0.868 . . . . 0.0 109.618 172.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.8 mt -64.98 -40.3 88.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.443 0.697 . . . . 0.0 110.708 -174.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.57 -59.28 4.2 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.608 1.563 . . . . 0.0 110.223 177.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.25 -56.45 14.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.294 -0.879 . . . . 0.0 111.712 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -48.13 76.12 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -168.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.25 -31.07 36.8 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.647 1.179 . . . . 0.0 113.256 172.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -51.13 17.15 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.569 -0.707 . . . . 0.0 111.721 171.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -59.75 -52.58 64.89 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.872 0.869 . . . . 0.0 112.905 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 59.78 68.64 0.77 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.778 1.231 . . . . 0.0 113.327 -177.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.02 158.4 13.57 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.908 -0.495 . . . . 0.0 110.56 166.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -60.46 2.37 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.015 0.912 . . . . 0.0 111.229 -167.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.5 t -81.42 139.75 35.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.885 0.85 . . . . 0.0 113.268 -171.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -33.42 -49.85 0.3 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.132 1.773 . . . . 0.0 112.08 155.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -68.12 -36.27 79.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.394 -1.441 . . . . 0.0 112.777 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.01 -45.93 76.05 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.496 -0.753 . . . . 0.0 111.629 177.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.3 m -63.16 -43.24 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 118.983 0.81 . . . . 0.0 110.084 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.6 pp -67.32 -37.94 84.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 118.382 -1.327 . . . . 0.0 113.002 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -55.81 -58.37 8.15 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.265 -0.897 . . . . 0.0 111.349 172.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -54.97 -55.19 33.48 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.419 1.087 . . . . 0.0 111.967 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.17 -53.56 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.802 -0.561 . . . . 0.0 111.054 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -52.65 -44.42 66.13 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.645 -1.284 . . . . 0.0 112.357 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 m -56.53 -53.33 58.83 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.45 -0.781 . . . . 0.0 111.889 172.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -66.56 -31.25 71.84 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.867 -1.146 . . . . 0.0 113.858 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -60.57 -28.06 68.17 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 119.967 -1.708 . . . . 0.0 111.364 165.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.32 44.7 m -80.3 -40.07 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 119.866 -1.771 . . . . 0.0 114.297 174.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -47.63 -55.3 9.65 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.28 0.946 . . . . 0.0 110.796 157.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -52.81 -44.07 66.37 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -53.52 -52.14 60.57 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.108 -0.995 . . . . 0.0 112.886 170.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.77 -42.07 98.51 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 121.994 0.902 . . . . 0.0 112.021 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.5 -29.39 69.95 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.202 -1.561 . . . . 0.0 112.895 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -77.79 1.99 18.48 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 119.862 -1.774 . . . . 0.0 113.479 171.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -127.3 -20.49 4.06 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.434 1.894 . . . . 0.0 113.774 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -71.35 35.75 0.05 Allowed 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 118.314 2.709 . . . . 0.0 118.314 -162.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' B' ' 82' ' ' SER . 0.0 OUTLIER 62.18 124.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.597 2.359 . . . . 0.0 117.277 168.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.97 124.65 35.59 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.591 1.556 . . . . 0.0 109.785 159.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.59 33.94 0.11 Allowed 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.553 -1.342 . . . . 0.0 114.079 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.489 HH22 ' CD ' ' B' ' 110' ' ' GLU . 0.0 OUTLIER 61.97 -62.36 0.1 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.051 2.14 . . . . 0.0 114.268 -175.245 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.9 -70.71 1.18 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 123.675 0.655 . . . . 0.0 112.177 -174.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 92.3 p -77.51 64.1 2.78 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.009 -1.289 . . . . 0.0 112.275 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.32 75.7 0.25 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.875 0.87 . . . . 0.0 111.439 176.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 CA--C 1.541 0.627 0 O-C-N 120.451 -1.406 . . . . 0.0 111.361 -176.502 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 . . . . . 0 CA--C 1.54 0.59 0 CA-C-O 120.278 0.085 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.6 ttt -96.21 78.78 3.12 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.743 0.817 . . . . 0.0 110.839 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.89 158.55 0.49 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.808 2.043 . . . . 0.0 112.141 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 6.3 mmtm -126.87 138.0 53.25 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -154.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -84.83 59.78 5.78 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.899 2.08 . . . . 0.0 112.209 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 t -74.04 71.54 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 O-C-N 120.486 -1.384 . . . . 0.0 112.674 -174.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -115.66 68.22 0.71 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.939 1.296 . . . . 0.0 113.212 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.9 107.66 1.28 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.063 1.345 . . . . 0.0 113.415 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t -85.1 -175.75 5.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.554 0.742 . . . . 0.0 111.449 163.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -61.77 2.1 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -158.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 7.9 p -57.65 -45.96 84.81 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.421 -1.425 . . . . 0.0 113.4 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -68.62 -42.29 78.31 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.021 -1.049 . . . . 0.0 111.459 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.32 -40.31 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 120.615 -1.303 . . . . 0.0 111.53 175.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.1 99.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.999 0.904 . . . . 0.0 111.499 174.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -72.68 -35.3 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 O-C-N 120.653 -1.28 . . . . 0.0 112.585 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -39.99 58.45 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.417 1.087 . . . . 0.0 113.055 161.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.49 -49.96 42.98 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.873 -0.517 . . . . 0.0 109.892 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.54 -44.8 66.02 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.353 -1.467 . . . . 0.0 111.81 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -52.7 -49.29 65.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.536 171.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.26 64.9 mm-40 -79.84 -29.64 40.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 121.366 1.894 . . . . 0.0 114.478 -177.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -52.81 -28.85 24.51 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 119.856 -1.778 . . . . 0.0 111.195 155.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' SER . . . . . 0.403 ' O ' ' NZ ' ' A' ' 123' ' ' LYS . 29.6 m -95.75 1.58 53.43 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 171.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 40.17 69.12 0.34 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.454 2.302 . . . . 0.0 116.75 -160.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -122.19 105.2 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 126.122 1.769 . . . . 0.0 111.835 168.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.4 110.71 18.84 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 120.054 -1.654 . . . . 0.0 110.691 -177.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 33.3 mm -70.3 132.06 88.14 Favored Pre-proline 0 CA--C 1.551 1.016 0 O-C-N 118.814 -2.429 . . . . 0.0 112.225 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.42 ' CD ' HH12 ' B' ' 113' ' ' ARG . 59.1 Cg_endo -77.42 136.52 15.82 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.163 2.575 . . . . 0.0 109.394 168.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -44.39 -40.67 5.59 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 128.717 2.807 . . . . 0.0 113.537 -176.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.61 -37.91 42.87 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 21.0 mm -55.62 -53.0 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 O-C-N 121.004 -1.06 . . . . 0.0 109.933 170.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.63 -45.18 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.874 -168.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -35.72 -59.2 0.58 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.649 1.979 . . . . 0.0 111.879 171.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.4 -62.95 1.19 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.723 1.209 . . . . 0.0 110.874 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -52.55 -42.08 64.11 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.84 1.256 . . . . 0.0 113.349 -164.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 72.0 t -48.17 -41.26 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 O-C-N 121.246 -0.909 . . . . 0.0 112.862 173.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -74.05 -42.87 59.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.33 1.052 . . . . 0.0 112.464 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -71.38 67.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.329 1.452 . . . . 0.0 110.663 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -67.21 77.88 0.15 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.291 1.436 . . . . 0.0 113.52 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.62 173.05 2.96 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.604 0.761 . . . . 0.0 111.936 172.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -71.19 -43.89 66.52 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.614 -0.679 . . . . 0.0 112.754 -168.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 4.4 p -168.6 175.24 6.27 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -170.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 3.0 mp0 -33.06 -56.51 0.39 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 130.201 3.4 . . . . 0.0 114.338 178.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -57.93 -47.36 83.09 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.881 -1.137 . . . . 0.0 111.414 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -69.11 -38.42 78.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.913 -0.492 . . . . 0.0 111.715 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.63 -39.28 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.795 173.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.269 1.1 pp -64.11 -40.4 96.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 121.269 1.849 . . . . 0.0 111.121 176.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -53.77 -57.47 10.77 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.431 -0.793 . . . . 0.0 110.716 172.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -56.49 -58.4 8.17 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.565 -0.709 . . . . 0.0 112.309 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 83.9 mt -49.36 -46.55 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 123.768 0.827 . . . . 0.0 111.374 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . 0.489 ' CD ' HH22 ' A' ' 126' ' ' ARG . 56.2 mt-10 -66.79 -36.7 83.01 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 68.9 p -61.25 -51.74 67.66 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 120.535 -1.353 . . . . 0.0 112.082 168.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -67.34 -28.75 68.24 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.666 -1.271 . . . . 0.0 112.541 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . 0.42 HH12 ' CD ' ' B' ' 87' ' ' PRO . 2.0 ttt85 -65.9 -29.78 70.26 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.04 -1.663 . . . . 0.0 111.48 167.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 92.5 m -75.22 -35.48 61.47 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.976 -1.078 . . . . 0.0 113.238 170.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -51.93 -56.46 13.99 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.365 0.984 . . . . 0.0 110.399 157.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -54.7 -41.85 70.76 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -60.69 -45.33 94.59 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.698 -1.251 . . . . 0.0 111.536 172.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.14 -48.36 76.33 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.188 0.904 . . . . 0.0 112.697 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -51.26 -41.91 60.71 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.549 -1.344 . . . . 0.0 111.568 171.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -79.44 -9.14 59.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 173.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -82.44 -32.93 28.72 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.24 1.816 . . . . 0.0 111.487 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -47.62 122.02 4.5 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.76 130.81 42.14 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.368 2.267 . . . . 0.0 114.434 172.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 26.8 tp -99.02 113.84 26.22 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.54 1.064 . . . . 0.0 109.933 149.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -69.69 -29.96 67.5 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.034 0.934 . . . . 0.0 112.677 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.2 -38.39 0.41 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.323 2.249 . . . . 0.0 115.282 173.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.35 74.62 1.23 Allowed Glycine 0 CA--C 1.536 1.372 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -164.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . 0.3 15.1 p 110.04 -136.98 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 129.376 3.07 . . . . 0.0 113.994 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -75.35 168.43 20.0 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -166.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt . . . . . 0 CA--C 1.534 0.346 0 C-N-CA 125.95 1.7 . . . . 0.0 110.648 -178.144 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 93.4 mtp -61.36 84.93 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.982 0.913 . . . . 0.0 111.344 166.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.44 ' CG ' ' H ' ' A' ' 64' ' ' LYS . 15.3 t70 -97.7 -161.3 0.86 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.694 1.597 . . . . 0.0 111.474 173.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.44 ' H ' ' CG ' ' A' ' 63' ' ' ASP . 1.6 mppt? -74.59 72.15 1.92 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.001 1.32 . . . . 0.0 110.484 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.6 p -72.38 65.1 0.61 Allowed 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.774 -1.204 . . . . 0.0 112.29 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.8 t -141.09 144.99 25.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 127.116 2.166 . . . . 0.0 108.557 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.7 99.33 0.11 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.005 0.522 . . . . 0.0 111.147 172.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 mp 70.71 92.01 0.09 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.994 1.318 . . . . 0.0 112.789 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -113.74 -177.93 3.25 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.472 1.509 . . . . 0.0 112.175 170.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -30.61 -65.16 0.12 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.693 1.997 . . . . 0.0 116.22 -170.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.7 p -65.17 -57.57 8.22 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -57.38 -42.49 82.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.132 -0.98 . . . . 0.0 112.047 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.77 -47.67 92.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 120.901 -1.124 . . . . 0.0 111.35 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.79 70.21 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.749 0.785 . . . . 0.0 112.392 177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.8 t -75.5 -45.4 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 O-C-N 121.081 -1.012 . . . . 0.0 112.151 174.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.95 -42.05 65.08 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.423 1.489 . . . . 0.0 113.45 169.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.68 -54.18 46.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.566 0.698 . . . . 0.0 109.159 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.67 -35.61 70.8 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.777 -0.577 . . . . 0.0 112.489 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -55.13 -59.51 4.67 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.167 0.894 . . . . 0.0 111.97 168.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -70.88 -28.55 64.64 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 120.057 1.299 . . . . 0.0 112.537 -173.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -55.74 -39.59 71.34 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.405 -1.434 . . . . 0.0 112.344 160.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.4 p -80.63 5.77 14.59 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 170.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 57.98 42.5 22.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.396 2.278 . . . . 0.0 113.174 -173.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.2 mt -105.54 104.3 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 124.565 1.146 . . . . 0.0 112.363 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -69.26 142.74 54.09 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.872 0.844 . . . . 0.0 111.724 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.1 mm -108.59 120.47 46.22 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.253 1.421 . . . . 0.0 110.202 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.82 134.79 26.49 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 121.778 1.652 . . . . 0.0 109.961 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -34.1 -56.01 0.49 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.755 2.422 . . . . 0.0 114.391 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -32.14 -50.39 0.22 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.209 1.803 . . . . 0.0 114.404 173.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.2 mm -53.22 -55.02 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 O-C-N 120.781 -1.199 . . . . 0.0 111.028 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.25 -46.18 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 C-N-CA 124.277 1.031 . . . . 0.0 111.355 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -50.27 -49.76 52.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.12 1.768 . . . . 0.0 112.212 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -70.36 -61.23 1.85 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.375 1.47 . . . . 0.0 111.507 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.82 -42.98 48.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.289 1.436 . . . . 0.0 113.972 -165.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.6 t -49.94 -39.97 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 O-C-N 121.401 -0.812 . . . . 0.0 112.729 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -72.32 -44.48 62.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.037 0.935 . . . . 0.0 111.85 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -56.23 -40.45 74.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.222 1.009 . . . . 0.0 111.799 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? 63.14 44.62 5.64 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 157.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.94 169.23 17.32 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.183 -0.948 . . . . 0.0 113.425 -171.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -80.04 -58.96 2.91 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 120.821 -1.174 . . . . 0.0 112.075 -168.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.4 p -115.55 168.2 10.21 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -171.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.481 ' CD ' ' HZ3' ' B' ' 130' ' ' LYS . 49.7 mt-10 -46.05 -42.23 13.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.47 1.108 . . . . 0.0 113.15 169.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -64.61 -45.98 84.61 Favored 'General case' 0 C--O 1.222 -0.391 0 O-C-N 121.148 -0.97 . . . . 0.0 111.073 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.43 -46.44 79.93 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.919 -1.113 . . . . 0.0 111.259 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.98 -42.4 94.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.406 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.016 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.94 -39.33 93.35 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.404 1.456 . . . . 0.0 112.24 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -60.21 -56.85 16.55 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.092 0.86 . . . . 0.0 110.461 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -58.56 -51.4 70.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.798 0.439 . . . . 0.0 111.648 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.84 -54.63 15.44 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 O-C-N 121.535 -0.728 . . . . 0.0 110.837 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -30.47 71.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.982 -1.074 . . . . 0.0 111.923 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.4 m -61.87 -58.62 7.26 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.663 -1.273 . . . . 0.0 112.659 169.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.73 -34.16 75.32 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.276 -1.515 . . . . 0.0 111.7 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -63.94 -33.84 76.63 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 119.551 -1.968 . . . . 0.0 111.536 171.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 97.9 m -62.93 -44.86 94.94 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.116 -0.99 . . . . 0.0 112.376 167.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -47.3 -56.68 6.34 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.614 0.643 . . . . 0.0 110.892 164.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -54.38 -41.08 68.8 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 174.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -51.11 -55.27 18.6 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.67 -1.269 . . . . 0.0 109.295 170.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.66 -45.63 88.93 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.911 0.884 . . . . 0.0 113.007 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.49 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 73.8 mm-40 -53.07 -45.56 68.2 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.587 -1.321 . . . . 0.0 111.961 173.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -75.13 -20.13 59.56 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.76 -43.4 37.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.698 1.599 . . . . 0.0 112.349 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.49 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 47.3 mtmt -53.07 144.19 15.89 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -172.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -60.97 136.65 58.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.394 2.278 . . . . 0.0 114.533 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.02 121.66 44.55 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 153.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.46 -9.38 12.46 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 68.31 -71.82 0.11 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.947 1.699 . . . . 0.0 112.635 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.9 -69.97 0.13 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 123.905 0.764 . . . . 0.0 112.325 -172.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.9 m -72.09 60.35 0.4 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.876 1.67 . . . . 0.0 113.326 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.05 65.16 0.55 Allowed 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.15 -0.969 . . . . 0.0 110.192 168.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 84.0 tttt . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 124.181 0.992 . . . . 0.0 111.357 -172.69 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 CA--C 1.546 0.824 0 CA-C-O 121.684 0.754 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 74.0 mtm -80.55 69.42 7.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.903 1.281 . . . . 0.0 110.705 172.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -77.05 38.42 0.21 Allowed 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -166.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -74.07 77.94 1.73 Allowed 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.394 -1.441 . . . . 0.0 110.641 174.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -36.19 -45.1 0.43 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 128.449 2.7 . . . . 0.0 117.128 -167.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -80.86 130.73 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 124.375 1.07 . . . . 0.0 111.81 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 47.41 94.83 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.791 2.036 . . . . 0.0 114.53 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mp 62.47 78.7 0.28 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 122.822 1.296 . . . . 0.0 112.649 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -96.29 170.76 9.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.331 2.653 . . . . 0.0 111.683 169.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.26 -66.22 0.13 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.055 1.742 . . . . 0.0 115.446 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.6 p -60.73 -56.37 22.11 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -61.28 -38.07 85.45 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.336 1.426 . . . . 0.0 112.174 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.63 -46.39 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.244 -0.91 . . . . 0.0 111.704 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.06 74.99 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.975 0.893 . . . . 0.0 110.901 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . 0.287 7.4 t -78.32 -27.76 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 O-C-N 121.317 -0.864 . . . . 0.0 112.685 177.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.62 -37.63 73.61 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.03 -1.669 . . . . 0.0 112.857 166.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.41 -52.12 62.9 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -49.71 -43.01 47.3 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.626 -0.671 . . . . 0.0 112.226 172.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -57.25 -66.4 0.46 Allowed 'General case' 0 C--O 1.239 0.501 0 O-C-N 120.467 -1.395 . . . . 0.0 113.51 170.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.58 -42.96 67.14 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.442 -0.786 . . . . 0.0 111.507 -167.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -57.93 -39.0 76.93 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.905 -1.122 . . . . 0.0 112.345 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 45.3 t -60.23 -50.21 74.54 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 120.777 -1.202 . . . . 0.0 111.228 171.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.252 26.7 p-10 123.81 40.82 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 130.658 3.583 . . . . 0.0 112.941 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 40.7 mt -116.83 119.87 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 126.632 1.973 . . . . 0.0 110.77 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -80.64 145.99 31.39 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.213 0.53 . . . . 0.0 110.954 164.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 mm -106.72 133.91 20.06 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 125.168 1.387 . . . . 0.0 112.403 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.45 133.57 46.67 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.765 2.31 . . . . 0.0 112.786 165.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.6 p -44.96 -56.28 4.74 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.688 1.995 . . . . 0.0 113.28 172.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -36.08 -56.97 0.72 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.078 1.751 . . . . 0.0 114.511 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 pt -65.38 -37.26 79.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 O-C-N 120.742 -1.224 . . . . 0.0 113.035 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -56.75 -46.86 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 119.866 1.212 . . . . 0.0 111.053 173.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -53.95 -63.66 1.08 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.672 0.789 . . . . 0.0 111.263 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.59 -45.48 93.81 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.839 -1.163 . . . . 0.0 110.754 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.71 -51.31 50.91 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.006 -1.059 . . . . 0.0 112.842 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.24 -39.44 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 120.962 -1.087 . . . . 0.0 113.554 174.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.86 -53.87 47.51 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.731 0.812 . . . . 0.0 112.957 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -51.48 -31.55 24.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.268 1.427 . . . . 0.0 112.002 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 57.22 61.25 2.6 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.669 1.223 . . . . 0.0 112.808 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.68 156.15 36.05 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.729 164.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -93.54 -58.56 2.24 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.024 0.53 . . . . 0.0 111.59 -159.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 21.2 p -106.17 164.99 11.56 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -45.46 -39.65 7.43 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.534 2.333 . . . . 0.0 111.95 171.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -62.57 -47.75 82.48 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.219 -0.926 . . . . 0.0 112.127 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -68.51 -43.96 75.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.969 -0.457 . . . . 0.0 110.671 -176.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.8 m -66.17 -41.6 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.01 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.256 1.1 pp -64.79 -36.6 84.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.351 1.432 . . . . 0.0 111.749 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -58.47 -58.04 10.27 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.883 -1.135 . . . . 0.0 111.484 174.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -52.34 -59.96 3.79 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.526 0.73 . . . . 0.0 111.019 175.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.2 mt -57.79 -47.97 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.241 0.616 . . . . 0.0 110.853 -172.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.64 -42.87 93.73 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.049 -1.657 . . . . 0.0 112.423 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.1 m -60.74 -51.7 68.24 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.663 -0.648 . . . . 0.0 111.722 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -73.67 -29.37 62.27 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.169 -0.957 . . . . 0.0 112.703 -174.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -57.83 -43.99 86.16 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.22 -1.55 . . . . 0.0 110.916 161.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.315 98.2 m -60.52 -44.64 95.82 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.654 -1.279 . . . . 0.0 113.307 175.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -48.76 -58.45 4.77 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.4 0.545 . . . . 0.0 112.062 159.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -55.38 -41.44 72.61 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.256 17.4 pttm -59.79 -44.9 93.71 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 121.019 1.736 . . . . 0.0 112.56 169.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.8 -46.33 84.79 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 120.34 1.427 . . . . 0.0 111.979 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -55.03 -46.0 75.22 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.96 1.304 . . . . 0.0 112.455 173.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -66.22 -27.89 68.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.028 1.331 . . . . 0.0 112.299 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -79.97 -33.01 39.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.405 1.882 . . . . 0.0 113.417 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -43.11 135.11 3.33 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.81 0.844 . . . . 0.0 112.232 173.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -95.35 114.92 26.74 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -173.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 15.5 tp -70.28 85.41 0.57 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.709 -1.244 . . . . 0.0 111.109 169.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -55.18 -24.48 27.16 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.868 1.267 . . . . 0.0 114.322 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 63.39 77.87 0.31 Allowed 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 169.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.22 41.01 1.09 Allowed Glycine 0 CA--C 1.543 1.815 0 O-C-N 120.496 -1.378 . . . . 0.0 114.184 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -170.26 48.66 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.752 1.621 . . . . 0.0 110.176 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 52.7 tp -58.64 140.93 53.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.055 1.342 . . . . 0.0 112.068 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . 0.481 ' HZ3' ' CD ' ' A' ' 102' ' ' GLU . 55.9 mttp . . . . . 0 N--CA 1.467 0.406 0 C-N-CA 124.399 1.08 . . . . 0.0 111.441 -179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.7 ttt -77.48 67.05 3.34 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 120.535 -1.353 . . . . 0.0 113.391 -174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -67.6 155.61 38.74 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.351 -0.843 . . . . 0.0 111.885 170.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 73.47 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.586 1.154 . . . . 0.0 110.347 162.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.1 m -78.76 66.94 4.37 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.341 1.057 . . . . 0.0 113.114 -163.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.3 t -71.64 151.2 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 151.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.11 131.42 15.96 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp 63.23 71.54 0.51 Allowed 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 122.843 1.306 . . . . 0.0 112.84 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.3 t -84.06 177.9 8.06 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.402 1.481 . . . . 0.0 112.175 166.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.38 -62.46 1.26 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -172.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 p -58.13 -55.58 33.18 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -60.7 -39.99 90.6 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.851 -1.156 . . . . 0.0 111.889 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.86 -44.88 91.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 120.892 -1.13 . . . . 0.0 111.75 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.42 -42.37 87.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.883 0.849 . . . . 0.0 111.562 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.9 t -79.92 -38.04 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.475 -0.766 . . . . 0.0 112.181 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.54 -42.29 15.59 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.809 -1.182 . . . . 0.0 112.638 163.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.46 -52.41 58.14 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.975 -0.453 . . . . 0.0 109.856 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.6 mt -51.56 -46.08 63.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.91 -0.493 . . . . 0.0 110.708 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -57.92 -59.91 4.53 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.101 -1.0 . . . . 0.0 112.219 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.08 -41.74 81.43 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.718 0.69 . . . . 0.0 110.786 -172.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -59.4 -38.16 79.88 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.607 -1.308 . . . . 0.0 112.67 170.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.1 t -69.39 -7.36 36.85 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.242 -1.536 . . . . 0.0 113.493 172.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 66.93 48.07 1.34 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.916 2.487 . . . . 0.0 111.677 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mt -122.29 84.89 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 126.185 1.794 . . . . 0.0 110.791 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -58.87 127.63 33.18 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.821 -0.549 . . . . 0.0 112.274 -171.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.6 mm -86.19 115.92 63.81 Favored Pre-proline 0 CA--C 1.544 0.738 0 O-C-N 120.808 -1.182 . . . . 0.0 110.755 167.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -72.89 140.16 31.41 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.461 1.441 . . . . 0.0 108.837 168.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.6 p -51.93 -28.61 17.07 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.354 1.462 . . . . 0.0 113.403 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.97 -35.5 59.04 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.603 1.161 . . . . 0.0 114.042 172.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.57 -42.86 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 119.99 -1.694 . . . . 0.0 110.33 169.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.7 mt -68.64 -43.08 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.911 0.885 . . . . 0.0 110.922 -172.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -37.77 -58.17 0.93 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.541 1.936 . . . . 0.0 112.106 165.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -68.66 -65.94 0.64 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 122.565 1.174 . . . . 0.0 109.95 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -53.44 17.7 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.925 1.29 . . . . 0.0 113.575 -171.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 68.9 t -52.28 -49.83 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 121.388 -0.82 . . . . 0.0 112.53 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.64 -41.21 72.47 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.782 0.719 . . . . 0.0 112.665 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -55.24 -36.61 66.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.006 0.922 . . . . 0.0 112.615 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 55.1 68.9 0.79 Allowed 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 123.666 1.698 . . . . 0.0 113.706 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.08 163.37 25.17 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.557 158.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -123.76 -39.08 2.44 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -164.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.8 t -87.01 147.07 25.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.147 0.885 . . . . 0.0 111.628 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -49.23 -36.15 19.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.324 1.45 . . . . 0.0 111.409 166.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -62.64 -47.36 84.07 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.907 -1.121 . . . . 0.0 112.228 172.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -63.88 -48.93 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.221 -0.925 . . . . 0.0 111.588 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.36 -42.84 97.06 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.284 1.0 OUTLIER -63.78 -41.6 97.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 120.204 1.366 . . . . 0.0 112.597 178.117 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -60.41 -56.42 21.6 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.217 -0.927 . . . . 0.0 110.899 177.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -63.08 -49.08 75.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.411 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -50.98 -55.91 6.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 174.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.261 32.4 mt-10 -63.06 -30.89 71.95 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.701 -1.25 . . . . 0.0 113.474 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.6 m -60.48 -57.76 11.38 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.416 -0.802 . . . . 0.0 112.133 165.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.43 -31.5 72.74 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.517 -1.365 . . . . 0.0 112.944 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -65.01 -32.09 73.65 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.116 -1.615 . . . . 0.0 111.033 168.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.329 96.8 m -69.01 -39.1 79.5 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.45 -1.406 . . . . 0.0 114.024 168.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.35 -64.37 0.81 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.339 0.972 . . . . 0.0 110.529 158.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -52.2 -42.11 63.23 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -58.08 -49.94 75.2 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.022 -1.049 . . . . 0.0 112.418 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.65 -39.54 67.09 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.04 0.837 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -52.33 -45.63 65.71 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.226 -1.546 . . . . 0.0 111.562 167.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.38 -4.41 10.95 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 119.582 -1.949 . . . . 0.0 113.844 172.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -104.34 -8.86 18.93 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.937 2.095 . . . . 0.0 111.724 172.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -67.21 128.57 36.89 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.908 -1.12 . . . . 0.0 110.855 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 138.05 58.28 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -175.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.77 104.4 14.41 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.726 -0.609 . . . . 0.0 109.524 155.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.95 21.7 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -172.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.95 -77.17 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.252 1.421 . . . . 0.0 114.497 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.7 -78.53 0.03 OUTLIER Glycine 0 CA--C 1.537 1.41 0 N-CA-C 111.527 -0.629 . . . . 0.0 111.527 -166.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 69.5 m -74.67 64.38 1.22 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.091 0.956 . . . . 0.0 112.112 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 30.8 tp -71.19 76.04 0.7 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.851 0.834 . . . . 0.0 111.063 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 CA--C 1.537 0.479 0 O-C-N 120.774 -1.204 . . . . 0.0 110.902 -175.667 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 CA--C 1.542 0.651 0 CA-C-O 121.449 0.643 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 6.7 tpt -85.62 59.85 5.88 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.257 1.023 . . . . 0.0 111.297 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.48 63.64 0.81 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.904 1.681 . . . . 0.0 111.712 -169.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 tppt? -76.44 77.86 3.17 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -159.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -143.99 -176.53 5.03 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.457 0.703 . . . . 0.0 110.769 156.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.4 p -75.48 66.39 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 121.173 -0.954 . . . . 0.0 112.671 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -77.05 46.45 0.48 Allowed 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.564 -1.335 . . . . 0.0 113.904 -175.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.08 99.11 11.93 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.459 1.103 . . . . 0.0 108.475 169.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -122.55 -168.52 1.75 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.974 2.109 . . . . 0.0 111.25 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -33.8 -69.77 0.09 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.394 1.877 . . . . 0.0 115.115 -165.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 4.3 p -62.53 -64.15 1.01 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 7.1 pm0 -55.53 -40.69 72.17 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.269 -1.519 . . . . 0.0 112.638 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 89.6 t -62.78 -43.66 98.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 120.985 -1.072 . . . . 0.0 111.906 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.56 -47.62 83.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.005 0.907 . . . . 0.0 111.327 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.32 -30.27 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 O-C-N 120.893 -1.13 . . . . 0.0 111.045 -177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -34.85 60.84 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.79 -1.194 . . . . 0.0 113.633 167.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -76.67 -50.51 13.55 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 73.2 mt -47.04 -38.58 11.25 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.5 -1.375 . . . . 0.0 111.758 173.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -59.35 -58.56 8.09 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 167.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -76.01 -30.94 58.68 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.655 1.116 . . . . 0.0 113.728 -170.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -59.59 -25.73 64.85 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 119.331 -2.105 . . . . 0.0 111.763 159.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.32 -1.77 58.15 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 119.845 -1.784 . . . . 0.0 114.86 165.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 51.45 56.19 8.28 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 130.973 3.709 . . . . 0.0 114.545 -166.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 31.1 mt -110.61 111.95 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 124.431 1.093 . . . . 0.0 111.584 179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -72.97 119.77 17.68 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.887 -1.133 . . . . 0.0 108.053 163.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 28.1 mm -83.46 126.17 72.13 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 120.419 -1.426 . . . . 0.0 109.238 168.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.72 137.96 33.57 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.604 2.202 . . . . 0.0 112.717 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -47.38 -44.49 24.28 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 125.129 1.372 . . . . 0.0 111.682 174.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.52 -44.71 69.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 171.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.79 -52.9 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 120.719 -1.238 . . . . 0.0 109.315 172.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.83 -45.38 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.861 -0.524 . . . . 0.0 110.441 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -48.42 -59.28 3.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.628 1.171 . . . . 0.0 112.546 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.81 -54.79 18.94 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 122.022 -0.424 . . . . 0.0 111.637 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -48.85 37.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.464 1.106 . . . . 0.0 111.718 -175.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.74 -41.5 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 124.835 1.254 . . . . 0.0 112.534 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -67.37 -53.59 28.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.776 0.83 . . . . 0.0 111.554 173.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -62.55 -32.15 73.06 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.018 -1.051 . . . . 0.0 113.381 -174.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? 62.87 51.96 2.81 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 157.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.82 179.58 1.07 Allowed 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.82 -43.83 4.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.421 1.088 . . . . 0.0 113.536 -167.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.7 t -120.7 152.85 37.73 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -39.22 -48.44 1.78 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 128.67 2.788 . . . . 0.0 112.137 167.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -62.07 -43.57 98.56 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.475 0.655 . . . . 0.0 111.793 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -67.73 -46.28 72.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.155 -0.966 . . . . 0.0 111.025 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 19.1 m -64.68 -44.59 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 118.611 -0.709 . . . . 0.0 109.655 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.26 2.1 pp -62.43 -42.16 99.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.942 1.247 . . . . 0.0 112.079 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -61.58 -55.4 31.22 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.98 0.809 . . . . 0.0 110.766 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -59.67 -52.27 66.25 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.839 0.456 . . . . 0.0 110.987 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -52.6 -55.12 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 O-C-N 121.691 -0.631 . . . . 0.0 111.501 175.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -66.98 -30.66 70.85 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.32 -1.487 . . . . 0.0 113.257 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 85.2 m -60.12 -60.3 4.04 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.564 -0.71 . . . . 0.0 111.651 165.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -55.86 -37.25 68.52 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.4 1.095 . . . . 0.0 112.355 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -68.71 -27.83 66.3 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.904 1.681 . . . . 0.0 111.405 176.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 70.5 m -78.93 -37.44 39.74 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.554 -1.341 . . . . 0.0 113.002 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -49.27 -59.46 3.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.763 0.71 . . . . 0.0 111.163 159.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -50.97 -47.89 61.23 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.15 -0.969 . . . . 0.0 113.146 175.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -50.09 -49.45 51.47 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.052 -1.03 . . . . 0.0 111.765 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.43 -44.08 83.86 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -50.38 -40.42 49.6 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.052 -1.655 . . . . 0.0 111.409 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -81.18 13.72 2.7 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.513 -1.367 . . . . 0.0 113.05 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -125.62 -23.17 4.1 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 127.142 2.177 . . . . 0.0 113.542 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -59.79 163.06 4.74 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 116.64 18.29 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -99.62 112.92 25.09 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.764 -1.21 . . . . 0.0 110.641 167.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.48 18.58 5.19 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -170.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 67.55 -35.51 0.27 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 170.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.28 51.76 25.74 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 -159.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 32.2 m 64.76 -73.16 0.06 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.217 1.407 . . . . 0.0 112.439 -169.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 18.7 tp -157.53 144.28 18.08 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.046 0.939 . . . . 0.0 110.987 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 126.017 1.727 . . . . 0.0 115.411 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.403 ' NE2' ' OD1' ' A' ' 93' ' ' ASP . 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.548 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 85.3 mtp -77.69 -172.12 2.47 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.605 1.162 . . . . 0.0 110.765 157.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -115.48 50.91 0.96 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.799 2.84 . . . . 0.0 112.143 -171.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -76.25 68.46 2.65 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.373 -1.455 . . . . 0.0 112.065 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.3 p -69.48 -20.0 63.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.934 2.094 . . . . 0.0 113.589 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.79 76.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.578 1.151 . . . . 0.0 109.806 170.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -80.15 131.81 35.8 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.605 1.562 . . . . 0.0 113.651 -166.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.26 7.8 mp 55.5 58.04 4.88 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 123.537 1.637 . . . . 0.0 109.845 -167.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -66.53 168.77 8.6 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.343 -1.299 . . . . 0.0 111.321 168.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.7 -52.9 10.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.302 1.041 . . . . 0.0 113.286 -176.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.2 p -59.88 -43.03 94.97 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.27 -45.37 80.74 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 122.308 1.051 . . . . 0.0 110.555 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -64.25 -45.61 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 121.286 -0.884 . . . . 0.0 110.84 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.16 96.68 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.599 -0.688 . . . . 0.0 111.452 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.59 -41.28 85.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.49 -0.756 . . . . 0.0 111.653 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.06 -36.52 70.63 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 170.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.57 -51.45 42.53 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.34 -49.93 17.03 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.021 -1.049 . . . . 0.0 112.123 170.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -49.17 -53.14 22.47 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.998 -1.064 . . . . 0.0 112.913 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -85.15 -24.79 27.81 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -172.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -49.0 -45.09 41.82 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.083 -1.636 . . . . 0.0 109.534 153.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 m -75.66 -7.09 53.44 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 53.17 73.66 0.35 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.214 3.006 . . . . 0.0 114.284 -167.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.5 mt -133.65 110.09 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 125.798 1.639 . . . . 0.0 110.591 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 -65.37 129.76 40.9 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.077 165.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.0 mm -96.57 125.74 46.0 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 124.741 1.216 . . . . 0.0 109.042 170.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.98 140.54 69.32 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 121.851 1.7 . . . . 0.0 112.001 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.6 p -50.16 -36.46 30.29 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.803 -0.561 . . . . 0.0 110.883 163.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.16 -22.01 66.58 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.346 1.458 . . . . 0.0 114.716 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.63 -53.37 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 119.412 -2.055 . . . . 0.0 109.07 163.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.6 -40.56 79.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.227 1.411 . . . . 0.0 110.275 -169.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -29.63 -71.9 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.648 2.379 . . . . 0.0 112.863 163.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' OD1' ' NE2' ' A' ' 61' ' ' HIS . 13.9 t70 -74.51 -54.52 7.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.016 0.526 . . . . 0.0 110.874 -179.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -38.56 -57.91 1.1 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.116 1.766 . . . . 0.0 112.226 -177.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.3 t -54.61 -64.22 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.478 0.711 . . . . 0.0 112.33 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -69.03 -44.74 72.11 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.832 1.196 . . . . 0.0 114.066 -172.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -42.99 86.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -151.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.91 -153.53 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.911 1.685 . . . . 0.0 110.083 -175.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 79.5 139.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 128.096 2.558 . . . . 0.0 111.781 169.107 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -135.44 -40.95 0.71 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.383 1.073 . . . . 0.0 112.211 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 t -95.27 146.8 24.09 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 176.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -34.82 -47.37 0.34 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.133 2.573 . . . . 0.0 111.565 161.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -62.83 -44.78 95.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.687 1.195 . . . . 0.0 112.338 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -65.89 -49.47 67.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.916 -0.49 . . . . 0.0 111.35 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.2 m -62.13 -40.85 89.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.401 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.705 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.65 -40.27 92.31 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.875 1.216 . . . . 0.0 112.094 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.17 -57.3 13.64 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.19 -0.944 . . . . 0.0 111.102 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -53.43 -57.4 10.79 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.235 1.414 . . . . 0.0 112.193 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 82.5 mt -54.56 -53.1 34.29 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 C-N-CA 123.576 0.75 . . . . 0.0 110.873 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.33 -40.94 92.42 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.07 -1.019 . . . . 0.0 111.967 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.5 m -58.19 -54.08 51.04 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.18 -0.95 . . . . 0.0 111.764 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -64.56 -32.6 74.32 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.372 -1.455 . . . . 0.0 112.235 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -67.03 -20.87 65.92 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 119.926 -1.734 . . . . 0.0 111.659 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.285 47.8 m -74.61 -44.26 51.51 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.242 -1.536 . . . . 0.0 112.756 164.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -59.07 3.41 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 118.612 0.642 . . . . 0.0 111.587 161.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -51.81 -48.47 63.86 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -57.96 -37.58 74.43 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 120.662 1.573 . . . . 0.0 112.878 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 56.9 mt -64.22 -49.08 73.37 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.178 0.899 . . . . 0.0 111.915 173.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.57 -25.31 67.24 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 119.956 -1.715 . . . . 0.0 113.48 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.6 1.66 54.56 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.176 -1.578 . . . . 0.0 113.263 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -106.16 -60.28 1.67 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.794 2.038 . . . . 0.0 110.89 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -36.17 147.48 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 128.264 2.626 . . . . 0.0 117.322 -166.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 90.72 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.893 2.077 . . . . 0.0 116.522 -169.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.33 107.92 8.91 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.512 -0.743 . . . . 0.0 110.24 150.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.96 27.64 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.911 1.685 . . . . 0.0 115.045 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 65.61 -63.41 0.21 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.046 2.138 . . . . 0.0 113.872 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.77 -72.25 1.06 Allowed Glycine 0 CA--C 1.537 1.42 0 C-N-CA 123.883 0.754 . . . . 0.0 113.66 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 85.3 p -78.29 50.76 0.95 Allowed 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.192 -1.181 . . . . 0.0 113.65 -171.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.23 66.1 0.63 Allowed 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -169.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 CA--C 1.538 0.482 0 O-C-N 120.636 -1.29 . . . . 0.0 110.881 168.892 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 119.199 -0.429 . . . . 0.0 112.032 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 47.5 ttp -129.59 111.61 12.88 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.046 0.939 . . . . 0.0 110.289 169.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.49 62.92 0.55 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.343 1.857 . . . . 0.0 113.8 -167.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -76.2 60.75 1.52 Allowed 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.417 -1.427 . . . . 0.0 112.282 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 36.4 p -44.93 -47.35 11.31 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.132 1.773 . . . . 0.0 112.76 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.4 79.86 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-O 122.609 1.195 . . . . 0.0 110.158 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -78.6 32.86 0.2 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -168.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mp -46.74 104.21 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.922 1.689 . . . . 0.0 109.943 164.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.8 t -123.11 -168.38 1.75 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.469 3.107 . . . . 0.0 110.97 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.9 -71.84 0.07 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -167.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.5 p -65.37 -50.73 64.44 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -170.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -64.8 -38.93 92.65 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.704 -1.247 . . . . 0.0 111.824 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.8 -43.92 93.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 O-C-N 120.926 -1.109 . . . . 0.0 111.455 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.19 92.01 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 122.238 1.018 . . . . 0.0 111.004 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.57 -33.13 55.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 O-C-N 120.736 -1.228 . . . . 0.0 112.067 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -38.42 68.87 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.102 -0.999 . . . . 0.0 112.457 166.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -70.91 -48.74 51.94 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.821 -0.55 . . . . 0.0 109.816 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.68 -41.96 61.79 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.907 -1.12 . . . . 0.0 111.774 173.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -53.84 -50.28 66.58 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 117.924 -1.036 . . . . 0.0 113.225 172.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -84.32 -30.87 25.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.807 1.639 . . . . 0.0 114.872 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -55.26 -30.42 60.05 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.071 -1.643 . . . . 0.0 111.354 156.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 44.3 m -82.42 -17.74 44.34 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m120 83.28 45.05 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 129.844 3.258 . . . . 0.0 112.447 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.49 109.83 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 127.746 2.418 . . . . 0.0 110.674 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -70.41 117.81 12.43 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.859 -1.151 . . . . 0.0 110.1 163.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -70.23 128.1 91.7 Favored Pre-proline 0 CA--C 1.541 0.609 0 O-C-N 121.116 -0.99 . . . . 0.0 110.764 166.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -56.54 129.52 35.16 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 121.801 1.667 . . . . 0.0 111.122 166.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 58.2 m -44.18 -39.68 4.53 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.646 1.578 . . . . 0.0 112.232 168.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.61 -24.74 34.86 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.398 1.479 . . . . 0.0 114.967 174.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 mm -68.51 -49.61 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 119.633 -1.917 . . . . 0.0 109.958 165.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.18 -35.05 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.472 1.109 . . . . 0.0 111.023 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -39.81 -53.9 2.19 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.088 1.755 . . . . 0.0 112.587 164.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -63.41 1.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.086 1.755 . . . . 0.0 111.142 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -42.76 56.84 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.024 0.93 . . . . 0.0 113.434 -165.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.2 t -50.84 -40.74 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.794 0.838 . . . . 0.0 113.253 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -75.53 -45.06 40.35 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.549 0.613 . . . . 0.0 111.371 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.89 -39.59 89.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.822 1.249 . . . . 0.0 112.614 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.16 46.93 18.06 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 158.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.56 162.75 9.93 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.343 -0.848 . . . . 0.0 111.836 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -96.48 -47.52 5.93 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -169.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -92.36 150.04 21.07 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.985 1.266 . . . . 0.0 114.129 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -42.42 -46.95 4.89 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.167 2.587 . . . . 0.0 111.624 165.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.31 -46.08 86.83 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.496 -0.753 . . . . 0.0 111.607 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.29 -46.68 72.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.452 -0.78 . . . . 0.0 111.026 -175.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.48 -43.26 96.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.216 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.4 pp -65.66 -36.95 85.15 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.542 1.519 . . . . 0.0 111.926 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.86 -60.08 4.26 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.32 -0.863 . . . . 0.0 111.048 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -61.14 -50.98 71.01 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.982 -0.448 . . . . 0.0 111.677 -177.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -48.3 -49.36 12.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.484 0 O-C-N 121.122 -0.986 . . . . 0.0 111.928 171.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.22 -41.02 92.17 Favored 'General case' 0 CA--C 1.553 1.08 0 O-C-N 120.215 -1.553 . . . . 0.0 113.166 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 60.3 p -63.43 -48.36 78.08 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.28 -1.513 . . . . 0.0 112.758 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.1 -36.59 82.19 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.809 -1.182 . . . . 0.0 112.277 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -65.04 -20.44 66.49 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.327 2.251 . . . . 0.0 111.246 169.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.291 61.2 m -83.65 -41.62 17.57 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 119.047 -2.283 . . . . 0.0 114.148 168.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -45.43 -56.05 5.43 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.795 1.179 . . . . 0.0 110.747 158.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -58.89 -38.35 78.67 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -53.09 -49.65 66.01 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 119.934 -1.729 . . . . 0.0 112.12 166.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.84 -51.49 67.33 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.332 0.969 . . . . 0.0 112.247 175.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.04 -28.87 69.37 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.405 -1.434 . . . . 0.0 113.475 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.37 -22.92 58.97 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 119.343 -2.098 . . . . 0.0 113.245 169.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -94.36 -44.41 7.94 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.709 2.004 . . . . 0.0 113.493 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -40.36 136.45 1.26 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 128.65 30.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.515 1.126 . . . . 0.0 113.518 172.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 22.0 tp -110.35 125.28 53.03 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 148.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -70.96 -18.94 62.6 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 176.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 75.41 -59.51 0.53 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.173 1.789 . . . . 0.0 113.241 170.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.93 -59.92 1.75 Allowed Glycine 0 CA--C 1.536 1.406 0 C-N-CA 123.743 0.687 . . . . 0.0 113.429 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 47.7 m -72.37 55.34 0.33 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.782 1.633 . . . . 0.0 113.798 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 29.8 tp -75.75 62.33 1.5 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.971 1.309 . . . . 0.0 110.992 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 CA--C 1.541 0.597 0 O-C-N 120.975 -1.078 . . . . 0.0 110.981 -179.828 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 53.4 ttm -58.54 120.27 8.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 159.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.25 -175.97 2.81 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -174.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -70.12 150.91 46.04 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.13 1.772 . . . . 0.0 112.872 -169.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.8 p -75.26 45.13 0.27 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.521 1.928 . . . . 0.0 112.106 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.6 p -76.6 50.13 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 C-N-CA 125.946 1.699 . . . . 0.0 114.472 -163.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.38 63.49 3.26 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 119.807 -1.808 . . . . 0.0 110.729 175.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 98.6 mt -58.92 100.19 0.06 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.012 1.325 . . . . 0.0 110.821 172.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.7 t -98.6 176.21 5.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.498 1.919 . . . . 0.0 112.537 170.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.26 -67.18 0.18 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -166.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.2 p -64.13 -49.78 70.83 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -173.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pm0 -63.51 -41.08 98.52 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.64 -1.288 . . . . 0.0 111.979 175.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.3 t -54.71 -49.22 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 121.052 -1.03 . . . . 0.0 110.49 174.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.1 81.91 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.738 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.254 21.6 t -73.78 -36.61 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 O-C-N 121.245 -0.909 . . . . 0.0 112.363 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.8 -45.52 59.31 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.4 1.48 . . . . 0.0 113.345 165.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -66.06 -53.09 42.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.6 mt -51.64 -41.02 61.01 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.737 -0.602 . . . . 0.0 111.969 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -51.2 -52.56 43.25 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.163 1.347 . . . . 0.0 112.875 172.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -80.29 -30.25 38.27 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.37 -9.76 3.95 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.133 -1.604 . . . . 0.0 112.686 156.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.64 -2.34 23.53 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.936 1.695 . . . . 0.0 115.147 166.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 56.23 69.4 0.74 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.416 2.687 . . . . 0.0 113.796 -168.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.3 mt -141.54 112.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.019 1.728 . . . . 0.0 109.101 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -72.64 146.64 46.44 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 117.394 -1.722 . . . . 0.0 109.951 166.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.0 mm -99.14 127.29 35.26 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 124.563 1.145 . . . . 0.0 109.327 171.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -71.03 131.96 20.41 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.042 1.828 . . . . 0.0 109.973 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.9 m -32.45 -49.3 0.2 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.5 1.92 . . . . 0.0 114.714 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.82 -47.09 2.85 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.5 mm -54.34 -52.29 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 O-C-N 121.372 -0.83 . . . . 0.0 110.75 173.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.62 -50.65 79.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 110.261 -176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.86 -53.92 5.68 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.292 1.437 . . . . 0.0 112.358 171.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -65.75 -65.16 0.71 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 122.123 0.963 . . . . 0.0 110.075 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.46 -49.77 63.99 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.141 1.376 . . . . 0.0 113.398 -171.209 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.17 -41.19 41.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 121.553 -0.717 . . . . 0.0 111.632 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -51.56 47.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.984 1.714 . . . . 0.0 112.797 173.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -52.11 -39.52 59.96 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.718 0.807 . . . . 0.0 112.727 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 61.28 50.83 4.57 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 169.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.4 mt -68.3 160.58 29.11 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.973 170.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -84.56 -59.6 2.32 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.093 -1.005 . . . . 0.0 111.16 -162.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 p -111.42 166.09 11.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.62 -34.71 27.15 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.363 1.865 . . . . 0.0 111.766 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -60.91 -45.72 93.51 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.153 -0.967 . . . . 0.0 112.394 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -73.13 -43.35 61.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.129 -0.357 . . . . 0.0 110.609 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.46 -41.01 91.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.27 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.305 1.4 pp -63.78 -41.57 97.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.534 1.515 . . . . 0.0 111.648 175.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -53.69 -57.08 12.11 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.281 -1.512 . . . . 0.0 112.216 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -65.95 -52.75 46.96 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.923 -0.485 . . . . 0.0 112.083 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.81 -53.16 14.59 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 121.149 -0.969 . . . . 0.0 110.593 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -57.02 -37.47 71.76 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.452 -1.405 . . . . 0.0 112.23 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 m -60.38 -59.68 5.02 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.375 0.67 . . . . 0.0 112.001 170.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.16 -34.73 76.97 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.124 -0.985 . . . . 0.0 113.032 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -57.59 -46.75 83.63 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.226 -1.546 . . . . 0.0 110.163 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.263 66.0 m -60.71 -43.51 97.72 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.696 -1.252 . . . . 0.0 114.006 176.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -48.73 -58.44 4.77 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.523 0.601 . . . . 0.0 110.923 160.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -52.32 -43.64 64.65 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.27 18.6 pttm -59.16 -48.53 81.26 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 118.597 -1.241 . . . . 0.0 112.608 171.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.07 -42.96 99.79 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.655 1.116 . . . . 0.0 112.823 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -54.77 -47.94 73.27 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.55 -1.344 . . . . 0.0 111.485 173.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -71.6 -13.07 61.66 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.489 -1.382 . . . . 0.0 114.609 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -76.64 -34.25 58.31 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.058 1.343 . . . . 0.0 112.251 172.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -55.49 129.03 37.21 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 121.188 -0.945 . . . . 0.0 113.394 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 140.36 39.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.02 2.128 . . . . 0.0 114.267 174.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.56 135.15 47.49 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.919 0.888 . . . . 0.0 108.613 148.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -73.39 -0.24 14.21 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 174.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 67.91 -69.52 0.14 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.963 1.705 . . . . 0.0 114.139 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.64 -66.45 0.29 Allowed Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.217 0.913 . . . . 0.0 113.726 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.7 t -70.28 67.48 0.32 Allowed 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.242 1.417 . . . . 0.0 114.245 -176.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 tt -75.21 58.36 0.92 Allowed 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.733 -1.229 . . . . 0.0 110.014 166.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 76.1 tttt . . . . . 0 CA--C 1.54 0.565 0 O-C-N 120.551 -1.343 . . . . 0.0 111.662 -167.475 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 17.2 p80 . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 62.3 mtt -76.92 42.01 0.3 Allowed 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.566 -1.334 . . . . 0.0 113.245 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -62.8 169.28 3.28 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.165 1.386 . . . . 0.0 110.928 174.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.36 148.92 43.54 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 119.744 -1.848 . . . . 0.0 112.055 -160.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . 0.332 5.9 t 62.95 -52.55 0.18 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 128.326 2.65 . . . . 0.0 117.305 174.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.6 p -50.75 122.52 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 120.828 -1.17 . . . . 0.0 112.097 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 146.35 52.17 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -177.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 mp 45.05 76.72 0.08 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 164.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 17.9 t -79.73 -179.46 6.92 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.478 1.511 . . . . 0.0 111.586 165.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.92 -58.7 6.53 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -166.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.7 p -63.18 -50.63 69.58 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -172.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 pm0 -63.24 -37.48 87.39 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.693 -1.254 . . . . 0.0 111.798 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.13 -44.84 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.308 -0.87 . . . . 0.0 111.41 174.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.17 92.01 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 122.396 1.093 . . . . 0.0 111.212 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . 0.252 11.9 t -74.73 -28.65 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 120.707 -1.246 . . . . 0.0 112.25 -179.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -37.4 62.75 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.556 -1.34 . . . . 0.0 112.605 168.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -69.31 -52.54 26.33 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 72.3 mt -49.98 -42.67 49.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.703 -1.248 . . . . 0.0 111.935 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -55.28 -57.5 11.54 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.627 -1.295 . . . . 0.0 113.391 172.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -77.71 -31.92 52.64 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 120.128 1.331 . . . . 0.0 113.69 -171.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -48.09 -45.59 32.83 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.949 1.357 . . . . 0.0 111.203 158.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.3 t -75.39 -5.78 46.65 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.326 1.05 . . . . 0.0 113.528 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 57.28 57.3 4.55 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.86 2.464 . . . . 0.0 112.648 -167.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 85.5 mt -115.98 100.85 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 124.243 1.017 . . . . 0.0 111.231 169.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.96 75.14 4.5 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.471 0.653 . . . . 0.0 109.963 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 30.4 mm -37.83 127.97 0.95 Allowed Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 126.008 1.723 . . . . 0.0 113.425 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -53.27 145.21 45.42 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.282 2.655 . . . . 0.0 112.707 168.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -51.38 -44.81 62.25 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.838 -0.539 . . . . 0.0 111.068 166.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -56.02 -41.92 75.67 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.031 1.333 . . . . 0.0 112.823 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 20.2 mm -54.38 -53.18 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 120.513 -1.367 . . . . 0.0 111.398 169.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.28 -47.98 90.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.715 0.806 . . . . 0.0 110.322 -176.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -47.38 -59.23 3.35 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.427 1.491 . . . . 0.0 112.059 170.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -54.79 -53.67 52.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.576 1.15 . . . . 0.0 110.547 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -51.17 69.13 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.315 -0.866 . . . . 0.0 112.919 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 67.2 t -56.28 -38.62 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.968 1.307 . . . . 0.0 111.877 174.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.57 -59.28 5.45 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.288 -0.882 . . . . 0.0 111.781 170.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -61.68 -64.59 0.89 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.811 -1.18 . . . . 0.0 112.266 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 69.94 84.19 0.15 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.552 2.341 . . . . 0.0 114.039 -172.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.51 164.56 23.81 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.813 0.845 . . . . 0.0 111.07 169.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -80.01 -61.57 1.95 Allowed 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.649 -1.282 . . . . 0.0 110.067 -162.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 20.3 p -105.72 166.08 10.71 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -173.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -48.63 -42.25 33.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.747 2.419 . . . . 0.0 111.846 171.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.91 -47.08 87.25 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.34 -0.85 . . . . 0.0 112.052 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.29 -44.77 78.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.528 -0.733 . . . . 0.0 111.312 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.1 m -65.76 -40.53 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.171 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.283 1.3 pp -62.86 -36.76 84.35 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.405 1.457 . . . . 0.0 112.722 174.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -59.78 -60.2 4.21 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.132 0.878 . . . . 0.0 111.601 173.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -59.02 -51.42 70.15 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.064 0.546 . . . . 0.0 111.557 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.1 mt -54.29 -54.26 22.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.359 -0.838 . . . . 0.0 111.494 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.2 -37.72 72.6 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.482 -1.386 . . . . 0.0 112.669 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.0 m -59.88 -57.63 12.05 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.735 -0.603 . . . . 0.0 111.629 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.76 -36.72 79.64 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.995 -1.065 . . . . 0.0 113.165 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -56.8 -45.76 82.02 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.046 -1.659 . . . . 0.0 110.988 167.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.281 99.6 m -61.32 -46.88 88.45 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.561 -1.337 . . . . 0.0 113.72 176.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -46.77 -60.48 2.38 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.379 0.536 . . . . 0.0 111.259 161.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -49.94 -44.87 50.77 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.294 18.8 pttm -61.08 -41.6 96.95 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.128 -1.608 . . . . 0.0 112.968 172.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.5 -47.2 84.91 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.71 1.141 . . . . 0.0 112.37 171.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -52.86 -48.33 67.15 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.48 -1.387 . . . . 0.0 111.879 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -76.72 -11.56 59.86 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -84.82 -43.25 14.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.373 1.869 . . . . 0.0 111.597 167.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -52.96 145.88 12.01 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -171.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 119.87 5.33 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 129.911 3.284 . . . . 0.0 113.614 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.1 tp -118.65 121.73 40.85 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 150.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.72 18.55 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.24 -57.64 0.23 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.839 2.055 . . . . 0.0 114.11 -173.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.64 -92.91 0.62 Allowed Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.507 -0.746 . . . . 0.0 112.622 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.8 t -80.15 55.29 2.14 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.463 1.131 . . . . 0.0 113.133 -174.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 28.1 tp -67.86 153.06 44.53 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.763 1.625 . . . . 0.0 112.611 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 5.8 mptt . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 124.734 1.214 . . . . 0.0 110.599 168.231 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.5 p80 . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 121.242 0.544 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.2 ttp -78.56 53.67 1.35 Allowed 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.954 -1.091 . . . . 0.0 111.438 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -83.65 -169.2 2.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.954 1.302 . . . . 0.0 112.742 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -137.3 56.13 1.79 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.373 1.069 . . . . 0.0 111.066 169.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.5 m -152.64 -51.49 0.11 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.477 1.111 . . . . 0.0 110.747 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.15 9.67 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 126.553 1.941 . . . . 0.0 113.164 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -69.76 55.61 0.13 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.188 1.795 . . . . 0.0 114.659 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.89 103.58 1.84 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.331 1.052 . . . . 0.0 109.212 166.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.14 173.69 2.98 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.242 0.617 . . . . 0.0 111.113 167.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.41 72.88 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -165.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.0 p -61.4 -53.34 57.86 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.468 -0.77 . . . . 0.0 112.842 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -63.53 -38.43 91.09 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.163 -1.586 . . . . 0.0 112.834 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -44.81 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 O-C-N 120.912 -1.117 . . . . 0.0 111.356 176.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.83 87.56 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 122.032 0.92 . . . . 0.0 110.962 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.86 -27.7 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 121.234 -0.916 . . . . 0.0 111.584 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.43 -30.22 63.08 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.915 -1.115 . . . . 0.0 112.731 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.86 -50.85 72.47 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 166.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.29 -41.75 72.72 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.009 -1.057 . . . . 0.0 111.683 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -51.85 -61.71 2.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.066 1.303 . . . . 0.0 113.353 169.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -72.55 -37.89 68.12 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.13 1.332 . . . . 0.0 112.401 -171.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.12 -33.11 70.48 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.504 -1.373 . . . . 0.0 112.222 167.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 p -75.96 -15.69 60.12 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.02 -1.675 . . . . 0.0 113.798 169.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 66.15 59.09 0.69 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 129.401 3.081 . . . . 0.0 113.23 -167.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.8 mt -119.13 118.5 57.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 125.885 1.674 . . . . 0.0 109.878 164.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.7 ttp85 -80.18 150.16 30.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.849 0.833 . . . . 0.0 110.723 165.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.0 mm -109.44 129.05 24.36 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.096 1.758 . . . . 0.0 109.937 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.55 138.12 73.64 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.465 2.11 . . . . 0.0 111.114 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.7 m -50.73 -34.46 27.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.167 0.987 . . . . 0.0 112.666 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.8 -44.95 63.69 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.209 -0.932 . . . . 0.0 113.495 172.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 mm -55.87 -48.91 77.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 O-C-N 120.88 -1.137 . . . . 0.0 110.109 173.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.37 -46.46 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -175.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -45.93 -58.93 3.14 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.576 1.15 . . . . 0.0 112.413 169.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -63.38 -59.49 4.62 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.685 0.755 . . . . 0.0 109.993 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -43.59 66.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.217 1.007 . . . . 0.0 112.955 -175.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.2 t -48.63 -49.37 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 O-C-N 120.992 -1.068 . . . . 0.0 111.766 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -64.28 -50.8 66.49 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.911 1.285 . . . . 0.0 112.693 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -72.74 72.76 1.07 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 127.216 2.206 . . . . 0.0 109.675 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -70.2 72.42 0.45 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -170.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.21 163.69 12.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.502 1.921 . . . . 0.0 110.733 164.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -88.47 -65.46 1.02 Allowed 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.474 -0.766 . . . . 0.0 111.267 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.7 p -104.16 162.88 12.8 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -165.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.64 -42.26 11.19 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.996 2.118 . . . . 0.0 110.916 169.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -60.37 -46.26 90.59 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 121.297 -0.877 . . . . 0.0 111.994 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -68.09 -48.61 65.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.734 -0.604 . . . . 0.0 111.393 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 m -64.32 -38.09 81.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.8 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.256 1.2 pp -65.19 -36.97 85.85 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 118.218 -1.393 . . . . 0.0 111.852 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.53 -58.66 7.65 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 120.805 -1.184 . . . . 0.0 111.424 174.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -61.15 -51.69 68.0 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.214 0.605 . . . . 0.0 111.651 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.1 mt -53.3 -55.43 12.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 O-C-N 121.465 -0.772 . . . . 0.0 110.938 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.19 -34.79 64.19 Favored 'General case' 0 CA--C 1.554 1.113 0 O-C-N 120.968 -1.083 . . . . 0.0 112.035 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.9 m -65.61 -59.23 4.16 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.742 0.817 . . . . 0.0 113.173 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.09 -37.36 79.73 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.57 -1.331 . . . . 0.0 112.173 178.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 63.3 ttt-85 -57.06 -34.87 68.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.251 -1.531 . . . . 0.0 111.426 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.275 88.9 m -72.25 -35.83 68.91 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 119.988 -1.695 . . . . 0.0 114.337 169.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.02 -59.02 4.29 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.93 1.241 . . . . 0.0 110.67 159.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -52.95 -41.82 64.88 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -56.36 -55.02 38.65 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.734 -1.229 . . . . 0.0 112.17 173.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.26 -34.62 78.42 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.37 -63.64 1.1 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.689 -1.257 . . . . 0.0 110.32 168.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -62.04 -10.8 10.96 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -68.66 -44.48 74.01 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.137 1.375 . . . . 0.0 112.186 165.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -62.24 135.51 57.51 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.028 0.931 . . . . 0.0 111.998 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -112.03 129.8 56.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.024 1.73 . . . . 0.0 111.527 -171.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.65 101.5 5.0 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.969 -1.082 . . . . 0.0 109.595 170.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -75.75 43.51 0.26 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.234 1.413 . . . . 0.0 112.195 -176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? 65.38 -58.72 0.28 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.162 2.185 . . . . 0.0 115.814 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.33 -88.44 0.06 OUTLIER Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.081 0.848 . . . . 0.0 112.33 -171.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.2 t -74.67 80.15 2.03 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.695 -1.474 . . . . 0.0 111.648 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 10.3 mp -47.27 127.29 10.56 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.021 0.928 . . . . 0.0 112.286 172.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm . . . . . 0 N--CA 1.468 0.453 0 C-N-CA 124.06 0.944 . . . . 0.0 110.204 171.05 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 25.9 ttp 64.65 44.01 4.04 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 158.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.66 74.83 0.07 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.742 1.617 . . . . 0.0 111.133 160.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -61.18 -179.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.697 1.999 . . . . 0.0 112.153 169.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 91.1 m 69.22 -61.13 0.44 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.294 1.838 . . . . 0.0 111.672 -178.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 t -67.35 65.8 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 122.927 1.346 . . . . 0.0 109.441 159.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -73.46 148.89 42.77 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.923 1.289 . . . . 0.0 109.664 170.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 8.5 mp 54.26 70.92 0.56 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.272 1.034 . . . . 0.0 112.996 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.3 p -80.5 -179.95 7.43 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.203 -0.935 . . . . 0.0 112.374 166.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.39 -55.73 17.0 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -167.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -65.34 -50.92 63.77 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.428 -0.795 . . . . 0.0 113.072 -173.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -62.67 -38.02 88.71 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.864 1.211 . . . . 0.0 112.07 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.7 -48.77 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 121.295 -0.878 . . . . 0.0 111.47 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.29 -42.18 81.25 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 122.312 1.053 . . . . 0.0 111.403 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 13.4 t -73.58 -35.64 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 O-C-N 121.509 -0.744 . . . . 0.0 112.083 175.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.12 -34.96 72.65 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 172.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.04 -61.65 2.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 27.7 mt -55.95 -31.47 62.97 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -56.29 -57.08 13.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.459 1.027 . . . . 0.0 111.769 168.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.34 -28.09 61.87 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.997 0.817 . . . . 0.0 112.659 -176.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -58.49 -37.79 76.28 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.401 -1.437 . . . . 0.0 111.434 161.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 38.2 m -77.99 4.57 11.85 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.785 -1.197 . . . . 0.0 113.361 168.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m120 48.17 55.59 8.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.886 2.074 . . . . 0.0 112.295 -170.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 42.3 mt -118.46 98.88 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.202 1.801 . . . . 0.0 111.404 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.03 114.46 9.11 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.72 -0.612 . . . . 0.0 109.782 176.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 47.0 mm -78.94 122.37 84.48 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 120.889 -1.132 . . . . 0.0 111.079 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.94 141.5 66.97 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.081 2.521 . . . . 0.0 112.13 170.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -48.45 -48.63 37.37 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.046 0.938 . . . . 0.0 112.48 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.11 -49.89 6.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.956 1.302 . . . . 0.0 113.888 171.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.11 -47.53 83.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 O-C-N 120.756 -1.215 . . . . 0.0 110.684 174.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 31.4 mt -59.93 -44.91 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 121.49 -0.756 . . . . 0.0 110.599 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -54.36 -60.59 3.14 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.025 1.33 . . . . 0.0 112.352 173.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -53.85 -53.22 55.52 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.415 1.486 . . . . 0.0 110.411 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -45.64 92.45 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.96 -1.087 . . . . 0.0 112.479 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.82 -30.64 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 O-C-N 120.677 -1.265 . . . . 0.0 112.6 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.33 -52.61 38.2 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.999 -1.063 . . . . 0.0 113.096 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -71.99 -38.92 69.58 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.248 -0.907 . . . . 0.0 113.073 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 27.31 84.7 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.848 2.859 . . . . 0.0 113.567 -170.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 mt -72.22 168.82 17.46 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.325 1.05 . . . . 0.0 110.773 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.07 -65.92 0.89 Allowed 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.808 -1.183 . . . . 0.0 110.177 -170.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.3 t -84.86 152.16 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -42.45 -41.79 3.04 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.8 0.81 . . . . 0.0 112.152 158.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -59.58 -45.88 90.57 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.295 -0.878 . . . . 0.0 111.583 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.38 -48.38 67.56 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.523 -0.735 . . . . 0.0 110.817 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 10.8 m -64.37 -39.27 84.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.967 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.2 pp -66.79 -39.63 87.85 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.131 1.332 . . . . 0.0 111.889 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -57.5 -57.83 10.98 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.735 0.698 . . . . 0.0 110.868 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -59.85 -52.32 65.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.493 0.717 . . . . 0.0 111.846 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.9 mt -53.52 -54.18 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 121.285 -0.885 . . . . 0.0 110.97 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.52 -37.39 70.39 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.671 -1.268 . . . . 0.0 112.019 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 55.4 m -62.15 -56.49 18.23 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.545 -0.722 . . . . 0.0 112.434 172.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.97 -34.92 78.53 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.822 -1.174 . . . . 0.0 112.771 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -59.51 -41.73 90.58 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.655 -1.903 . . . . 0.0 111.238 166.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.279 99.9 m -60.13 -44.08 95.2 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.367 -1.458 . . . . 0.0 114.144 171.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -48.63 -54.45 14.6 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.899 0.772 . . . . 0.0 111.137 162.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -53.68 -49.67 67.51 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.301 18.5 pttm -56.19 -36.47 68.43 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 121.207 1.822 . . . . 0.0 113.357 174.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.41 -49.87 67.61 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.455 1.025 . . . . 0.0 112.611 172.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.425 ' CD ' ' HZ1' ' B' ' 122' ' ' LYS . 56.1 mm-40 -52.37 -40.62 62.25 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.152 -1.592 . . . . 0.0 112.535 171.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.13 -11.83 60.42 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.834 1.254 . . . . 0.0 113.237 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -94.28 -49.33 5.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.64 1.976 . . . . 0.0 111.794 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . 0.425 ' HZ1' ' CD ' ' B' ' 119' ' ' GLU . 45.7 mtmt -40.35 145.76 0.16 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 -170.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 115.78 1.9 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.462 2.305 . . . . 0.0 114.34 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.51 128.39 52.43 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.106 0.866 . . . . 0.0 109.239 148.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -2.21 18.15 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.787 1.235 . . . . 0.0 113.877 172.321 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 70.99 -47.62 0.66 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.652 1.981 . . . . 0.0 114.606 178.21 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.27 -68.4 1.15 Allowed Glycine 0 CA--C 1.534 1.277 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -173.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 32.3 t -68.35 79.21 0.25 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 122.765 1.269 . . . . 0.0 110.37 164.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.76 52.04 0.51 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.395 1.478 . . . . 0.0 113.524 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 125.588 1.555 . . . . 0.0 114.218 174.47 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.5 m80 . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 121.099 0.476 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.8 mtp -77.83 58.44 1.88 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.114 1.366 . . . . 0.0 111.902 -175.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -151.24 161.29 42.99 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.117 0.967 . . . . 0.0 112.616 -176.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -48.46 91.05 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.732 2.013 . . . . 0.0 113.061 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.92 32.35 0.14 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -162.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -78.92 155.76 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.58 1.152 . . . . 0.0 111.089 172.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.59 134.72 23.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.312 1.445 . . . . 0.0 114.822 175.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 mp 49.2 70.0 0.52 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.023 1.329 . . . . 0.0 113.408 172.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -83.38 176.97 8.7 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.857 0.863 . . . . 0.0 112.467 166.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.82 -57.06 3.46 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.955 1.302 . . . . 0.0 114.328 -171.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.6 p -57.61 -61.92 2.16 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 pm0 -63.11 -30.84 71.91 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.365 -1.459 . . . . 0.0 112.778 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.42 -46.86 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 121.02 -1.05 . . . . 0.0 111.43 172.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.0 86.17 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 123.09 1.424 . . . . 0.0 111.394 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.2 t -67.11 -36.35 76.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 119.839 -1.788 . . . . 0.0 112.017 173.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.56 -30.36 67.08 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 167.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -47.07 71.93 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.675 -0.641 . . . . 0.0 110.095 176.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.6 -38.16 90.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.539 -0.725 . . . . 0.0 110.373 174.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -57.07 -59.12 5.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.096 -0.954 . . . . 0.0 113.568 171.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -69.42 -28.54 66.22 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 120.585 1.539 . . . . 0.0 112.416 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.01 -45.76 68.08 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.868 -1.145 . . . . 0.0 111.385 162.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 p -81.51 5.28 18.36 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 173.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 35.65 65.72 0.39 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.747 2.019 . . . . 0.0 114.355 -159.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.406 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 11.3 mt -110.45 107.2 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 120.635 -1.291 . . . . 0.0 112.295 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -82.45 140.01 33.65 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.766 -1.209 . . . . 0.0 110.996 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.5 mm -108.51 123.52 37.09 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.733 1.213 . . . . 0.0 110.683 -173.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.51 146.15 54.34 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.771 2.314 . . . . 0.0 112.087 169.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.9 p -53.77 -54.25 40.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.003 0.82 . . . . 0.0 112.085 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -32.63 -54.5 0.35 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.447 1.899 . . . . 0.0 114.211 172.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 43.1 mm -49.47 -55.93 3.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 O-C-N 121.514 -0.741 . . . . 0.0 110.49 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.88 -46.63 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 O-C-N 121.428 -0.795 . . . . 0.0 111.861 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -48.21 -54.67 12.69 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.735 2.014 . . . . 0.0 111.801 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.52 -58.08 6.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.482 -0.761 . . . . 0.0 111.192 170.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -59.53 -41.34 89.78 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -163.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.7 t -46.97 -47.99 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.22 -0.925 . . . . 0.0 112.802 166.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -46.29 82.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.144 0.978 . . . . 0.0 111.673 174.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -60.6 -44.52 96.18 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.344 -0.848 . . . . 0.0 113.114 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 39.55 71.08 0.19 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.677 1.591 . . . . 0.0 111.947 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.53 166.06 7.19 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.396 -0.815 . . . . 0.0 112.005 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -81.46 -13.6 58.0 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -154.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -146.06 166.14 26.99 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.614 1.197 . . . . 0.0 113.202 169.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.09 -51.12 45.37 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.755 1.622 . . . . 0.0 111.182 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -57.26 -40.41 77.6 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.481 1.112 . . . . 0.0 111.794 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.95 -48.08 75.33 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.223 -0.923 . . . . 0.0 111.878 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . 0.278 23.2 m -62.36 -39.61 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.135 178.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.371 3.7 pp -66.43 -35.25 79.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 118.221 -1.391 . . . . 0.0 113.861 174.236 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -59.61 -57.02 14.75 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.955 -1.091 . . . . 0.0 111.597 172.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -54.53 -55.59 27.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.044 0.937 . . . . 0.0 111.781 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.4 mt -57.28 -51.81 64.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.196 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -49.05 -46.74 44.83 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.715 1.598 . . . . 0.0 111.776 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -57.86 -54.06 51.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.676 -0.64 . . . . 0.0 111.967 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -63.49 -34.86 78.7 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.035 -1.041 . . . . 0.0 113.556 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.406 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 40.5 mtp180 -54.63 -40.66 69.17 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 119.838 -1.789 . . . . 0.0 110.661 166.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.273 51.0 m -67.14 -36.65 82.31 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 171.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -51.11 -54.03 28.78 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 120.448 1.476 . . . . 0.0 111.287 163.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -56.57 -42.36 78.49 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.852 -1.155 . . . . 0.0 113.239 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -50.03 -49.21 51.75 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.615 -1.303 . . . . 0.0 110.651 170.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.89 -49.92 75.82 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 173.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -50.85 -38.5 49.44 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.329 -1.482 . . . . 0.0 112.424 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -75.97 -10.9 59.8 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.231 1.412 . . . . 0.0 113.444 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -103.19 -38.82 7.11 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.462 2.305 . . . . 0.0 112.528 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -43.89 148.52 0.38 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.955 1.302 . . . . 0.0 114.415 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 127.24 32.28 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.087 1.355 . . . . 0.0 113.908 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.5 tp -96.25 115.54 27.59 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.349 0.977 . . . . 0.0 108.455 149.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.39 31.78 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.0 mmp_? 59.69 -67.75 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.216 2.206 . . . . 0.0 115.63 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.84 -78.9 0.1 OUTLIER Glycine 0 CA--C 1.537 1.436 0 CA-C-N 119.045 0.838 . . . . 0.0 112.433 -174.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.8 p -74.91 66.23 1.51 Allowed 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.32 -1.106 . . . . 0.0 111.742 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 37.8 tp -72.61 64.64 0.64 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 122.271 1.034 . . . . 0.0 110.572 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 83.1 tttt . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 125.155 1.382 . . . . 0.0 110.424 -173.286 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 . . . . . 0 CA--C 1.54 0.56 0 CA-C-O 121.019 0.438 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -72.47 83.25 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.434 -0.791 . . . . 0.0 110.231 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -55.59 167.31 0.53 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -168.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.84 94.62 4.17 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.37 1.868 . . . . 0.0 108.18 166.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -43.11 -47.78 6.15 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -165.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 59.4 t -51.66 152.92 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 124.634 1.174 . . . . 0.0 113.606 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -57.0 141.37 45.86 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.393 1.077 . . . . 0.0 113.243 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 93.7 mt 54.75 70.92 0.57 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 173.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.8 t -88.17 -172.04 3.63 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.787 1.235 . . . . 0.0 112.545 163.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.33 -66.59 0.36 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -165.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 2.9 p -57.61 -49.61 75.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -64.7 -39.67 94.05 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.267 -0.896 . . . . 0.0 111.784 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.13 -47.82 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 120.915 -1.116 . . . . 0.0 111.42 172.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.97 74.03 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.255 1.026 . . . . 0.0 111.605 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.23 -38.0 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 121.651 -0.655 . . . . 0.0 112.732 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.31 -43.75 67.84 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.888 -1.132 . . . . 0.0 112.946 164.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.57 -50.17 68.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -48.1 -46.74 34.32 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.204 -0.935 . . . . 0.0 112.887 172.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -49.33 -52.55 27.28 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.624 -1.298 . . . . 0.0 112.554 172.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.278 5.6 mm-40 -76.69 -26.37 54.68 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -53.28 -37.01 61.79 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.852 -1.78 . . . . 0.0 110.636 158.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 -1.55 54.56 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 172.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 42.69 77.42 0.06 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.396 2.678 . . . . 0.0 115.469 -157.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 23.7 mt -131.66 115.43 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 125.813 1.645 . . . . 0.0 110.417 170.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -75.2 144.64 42.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 119.011 -1.075 . . . . 0.0 111.229 164.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.41 126.65 28.46 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 125.651 1.58 . . . . 0.0 109.106 172.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -55.18 126.41 22.45 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.44 2.094 . . . . 0.0 112.249 169.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -31.98 -60.28 0.26 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.766 2.026 . . . . 0.0 113.806 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -29.72 -61.28 0.15 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.523 1.929 . . . . 0.0 114.783 172.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 pt -70.25 -29.29 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 120.894 -1.129 . . . . 0.0 113.529 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 20.5 mt -58.05 -46.84 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 119.827 1.194 . . . . 0.0 109.786 167.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.87 -58.98 5.76 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.095 0.558 . . . . 0.0 110.913 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.1 -48.03 64.97 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.09 -1.006 . . . . 0.0 110.752 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -50.0 72.57 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.72 -0.612 . . . . 0.0 111.712 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 46.0 t -53.62 -43.08 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.559 0.744 . . . . 0.0 112.231 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -59.46 -66.27 0.54 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.746 0.703 . . . . 0.0 111.543 171.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -86.0 51.4 2.2 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.041 -1.037 . . . . 0.0 112.494 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -70.2 132.85 46.4 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 120.993 -1.067 . . . . 0.0 113.056 -172.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 30.1 mt -87.71 -173.64 4.41 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.261 1.424 . . . . 0.0 111.809 -174.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.81 -44.48 15.46 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.659 -1.276 . . . . 0.0 112.533 -170.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -144.79 164.58 30.6 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -37.13 -47.39 0.76 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.883 2.473 . . . . 0.0 113.65 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -59.29 -46.93 87.22 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.423 -0.798 . . . . 0.0 112.053 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.63 -47.19 73.38 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.082 0.553 . . . . 0.0 110.644 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.78 -38.35 82.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.19 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.27 0.9 OUTLIER -67.06 -35.43 79.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.567 1.53 . . . . 0.0 112.72 174.826 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -60.77 -56.62 19.1 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 122.488 1.137 . . . . 0.0 110.656 173.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -62.72 -47.24 84.43 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.769 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -56.22 -48.07 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 O-C-N 120.959 -1.088 . . . . 0.0 112.343 176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -53.56 -38.84 64.24 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.516 -1.365 . . . . 0.0 111.721 173.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 8.0 m -62.67 -56.53 16.84 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.402 -0.811 . . . . 0.0 112.768 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -50.44 -52.61 36.36 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.004 1.721 . . . . 0.0 112.964 175.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -64.87 -21.36 66.79 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 119.297 -2.127 . . . . 0.0 111.909 174.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.333 95.0 m -71.36 -38.26 71.59 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 119.846 -1.784 . . . . 0.0 114.194 164.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -51.14 -62.23 1.74 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.798 1.181 . . . . 0.0 111.329 159.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -56.46 -35.23 67.69 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.011 -1.055 . . . . 0.0 113.661 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -56.5 -51.71 67.49 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.645 -1.285 . . . . 0.0 111.684 171.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.57 -41.88 92.43 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.801 0.81 . . . . 0.0 112.278 177.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -51.13 -51.36 54.25 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.187 -1.571 . . . . 0.0 111.006 170.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -77.93 10.68 2.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.128 1.771 . . . . 0.0 113.811 174.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -97.51 -33.55 11.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.15 1.78 . . . . 0.0 111.342 166.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -53.19 129.69 32.1 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 118.561 0.619 . . . . 0.0 110.774 167.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -116.92 132.97 56.57 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.258 1.823 . . . . 0.0 111.182 -168.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.03 98.73 7.34 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.017 -1.052 . . . . 0.0 109.66 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -72.22 7.26 1.79 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.212 -1.555 . . . . 0.0 113.94 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 74.56 -53.83 0.67 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.235 1.814 . . . . 0.0 113.468 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.01 -56.72 3.14 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 121.439 -0.788 . . . . 0.0 112.712 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 29.1 t -146.4 174.93 10.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.258 1.023 . . . . 0.0 111.453 169.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 64.5 mt -81.92 62.37 5.67 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.092 0.957 . . . . 0.0 111.981 -176.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp . . . . . 0 CA--C 1.542 0.648 0 C-N-CA 123.123 0.569 . . . . 0.0 110.877 169.54 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 120.746 0.307 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.2 tpp -78.77 51.63 1.12 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.87 1.268 . . . . 0.0 113.826 -172.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -104.02 80.8 1.78 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.292 1.837 . . . . 0.0 111.548 -174.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -72.06 70.38 0.78 Allowed 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.405 -1.434 . . . . 0.0 112.191 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.5 t -108.62 -167.31 1.21 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.85 1.26 . . . . 0.0 110.356 167.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.7 t -71.7 67.97 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-O 122.246 1.022 . . . . 0.0 109.343 170.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -99.06 132.74 44.15 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -164.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 tp -145.64 73.63 1.35 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.102 1.361 . . . . 0.0 107.492 146.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.8 m -66.22 165.68 13.37 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.156 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.22 -56.52 1.19 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -174.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.22 -55.99 27.83 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -66.95 -36.55 82.47 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 119.632 -1.917 . . . . 0.0 112.798 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -35.98 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 O-C-N 120.45 -1.406 . . . . 0.0 111.816 174.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.6 -35.98 62.98 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.354 1.062 . . . . 0.0 112.171 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.93 -40.48 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 118.958 -2.339 . . . . 0.0 110.066 172.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.1 mt -52.62 -23.29 6.24 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 168.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -41.73 39.84 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.795 -1.191 . . . . 0.0 110.677 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.1 mt -53.24 -41.69 65.68 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 119.879 -1.763 . . . . 0.0 110.372 169.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -57.86 -60.24 4.01 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.177 -0.952 . . . . 0.0 112.952 172.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -85.53 -27.56 25.5 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -54.53 -20.29 7.54 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 119.863 -1.773 . . . . 0.0 111.76 158.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.46 -4.27 25.66 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.382 -1.449 . . . . 0.0 113.607 171.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 39.49 67.95 0.41 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.77 2.028 . . . . 0.0 115.234 -158.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.9 mt -99.44 117.44 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.39 0.676 . . . . 0.0 111.224 150.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -66.57 136.92 56.33 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 164.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.0 mm -105.94 125.62 32.7 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.839 1.255 . . . . 0.0 110.182 175.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.34 131.48 45.06 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.975 1.783 . . . . 0.0 110.996 172.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.7 m -43.95 -42.13 5.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.182 1.393 . . . . 0.0 112.176 173.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.04 -45.88 52.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 172.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 mm -52.26 -48.68 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 121.023 -1.048 . . . . 0.0 110.017 171.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.2 mt -66.09 -43.98 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 121.989 -0.444 . . . . 0.0 110.355 -174.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -54.75 -52.76 61.52 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.637 0.653 . . . . 0.0 111.991 171.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -59.14 -47.86 83.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.439 1.096 . . . . 0.0 111.146 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.01 -40.59 98.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 120.258 -1.526 . . . . 0.0 112.125 177.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.69 24.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 124.243 1.017 . . . . 0.0 111.912 167.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -125.29 -53.85 1.6 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.693 2.397 . . . . 0.0 110.211 159.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -78.65 62.41 3.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.612 1.165 . . . . 0.0 109.615 173.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -73.78 81.98 1.61 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -166.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.09 170.97 3.21 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.516 1.527 . . . . 0.0 112.597 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -87.22 -64.15 1.19 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.22 -0.925 . . . . 0.0 111.944 -171.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.6 p -105.26 159.67 15.7 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -168.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -45.78 -40.91 10.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.228 1.011 . . . . 0.0 113.358 172.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -48.33 82.04 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.857 0.837 . . . . 0.0 110.891 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.14 -50.26 72.58 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.064 -1.023 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.4 m -61.6 -39.5 83.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 119.984 -0.687 . . . . 0.0 110.562 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.302 1.3 pp -64.63 -37.01 86.11 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.548 -1.345 . . . . 0.0 113.438 174.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -58.33 -55.03 40.32 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.777 1.171 . . . . 0.0 110.569 173.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -57.81 -50.49 73.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.847 0.859 . . . . 0.0 112.341 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.92 -50.95 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.306 -0.872 . . . . 0.0 111.224 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.67 70.15 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.42 -1.425 . . . . 0.0 112.451 177.757 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.3 m -62.09 -61.15 2.68 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 112.263 172.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.22 -34.51 73.75 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.777 -1.202 . . . . 0.0 112.922 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -59.41 -42.29 91.47 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 119.903 -1.748 . . . . 0.0 111.59 168.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.293 85.5 m -60.07 -44.44 94.74 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.558 -1.339 . . . . 0.0 113.252 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -48.73 -60.48 2.69 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 118.99 -0.528 . . . . 0.0 111.558 160.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -51.18 -43.61 61.35 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.257 18.3 pttm -59.66 -45.97 90.43 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.217 -1.552 . . . . 0.0 112.614 172.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.45 -41.34 98.67 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.485 1.039 . . . . 0.0 112.316 175.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -53.92 -47.94 70.69 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.301 -1.499 . . . . 0.0 111.259 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -76.24 0.36 19.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -93.1 -32.19 14.53 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.17 1.788 . . . . 0.0 112.009 171.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -52.92 137.17 33.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.81 134.8 56.59 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 128.526 2.73 . . . . 0.0 115.464 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.97 111.93 21.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.112 0.965 . . . . 0.0 109.525 157.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -60.49 -46.07 91.44 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -177.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 66.32 87.37 0.12 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.771 1.628 . . . . 0.0 113.679 -174.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -73.21 -56.56 5.62 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.595 167.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m -72.13 60.91 0.43 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.359 1.464 . . . . 0.0 114.356 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.9 mt -71.05 76.21 0.66 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.969 0.89 . . . . 0.0 111.428 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 CA--C 1.54 0.564 0 O-C-N 120.891 -1.131 . . . . 0.0 111.086 -178.462 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 120.971 0.415 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.7 ttt -70.28 90.53 0.69 Allowed 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.92 -1.113 . . . . 0.0 112.345 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.2 167.5 0.08 Allowed 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 175.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -134.08 161.99 33.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.16 2.184 . . . . 0.0 110.692 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 2.6 m -56.47 -20.42 19.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -173.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -78.47 -16.32 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 124.108 0.963 . . . . 0.0 112.639 176.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -80.01 156.46 27.15 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.834 1.253 . . . . 0.0 113.267 -167.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 83.9 mt 33.05 67.49 0.17 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.236 1.814 . . . . 0.0 114.569 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 42.0 p -93.59 -177.09 4.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.012 1.725 . . . . 0.0 111.015 168.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.05 -66.05 0.32 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -170.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.1 p -59.21 -51.69 68.91 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.65 -51.68 62.38 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.71 1.141 . . . . 0.0 111.528 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 74.4 t -58.24 -39.96 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.624 0.769 . . . . 0.0 111.886 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.77 96.04 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.927 0.87 . . . . 0.0 111.553 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.46 -33.35 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 O-C-N 120.984 -1.072 . . . . 0.0 112.441 -177.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.47 -41.88 3.09 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.12 1.368 . . . . 0.0 113.083 161.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.94 -50.32 35.9 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.867 -0.521 . . . . 0.0 110.301 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 95.2 mt -49.82 -37.72 31.67 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.902 -1.124 . . . . 0.0 111.76 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -57.84 -60.71 3.28 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 120.555 -1.341 . . . . 0.0 113.078 169.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -81.91 -35.52 29.07 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 121.534 1.97 . . . . 0.0 114.356 -170.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -59.59 -21.88 60.98 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.221 -1.549 . . . . 0.0 112.301 163.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 18.3 t -75.66 -51.3 13.1 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 119.809 -1.807 . . . . 0.0 112.576 160.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 129.2 31.74 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.769 1 C-N-CA 132.097 4.159 . . . . 0.0 114.147 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.76 117.64 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.213 1.805 . . . . 0.0 113.573 -176.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -79.33 118.03 20.87 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.722 0.773 . . . . 0.0 110.972 168.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.89 110.89 36.35 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.682 1.593 . . . . 0.0 110.043 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -65.5 149.15 88.04 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 121.091 1.194 . . . . 0.0 110.913 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 76.0 p -59.72 -32.94 71.01 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -168.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.39 -46.92 26.42 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.818 0.847 . . . . 0.0 113.119 167.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.94 -49.57 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 O-C-N 120.93 -1.106 . . . . 0.0 109.806 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.2 mt -61.83 -40.63 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.893 0.877 . . . . 0.0 110.209 -174.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.25 -69.95 0.14 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.661 0.785 . . . . 0.0 111.923 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.47 -35.74 60.89 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.418 1.487 . . . . 0.0 111.046 -173.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -67.46 0.43 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.171 1.388 . . . . 0.0 111.602 170.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.17 -30.43 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 O-C-N 121.013 -1.055 . . . . 0.0 113.677 -160.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 33.0 p30 -56.24 -42.79 77.9 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.34 -8.09 54.38 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 173.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 58.51 71.49 0.58 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 168.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.57 164.27 23.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.004 0.922 . . . . 0.0 111.914 167.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -114.3 -38.53 4.07 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -170.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 34.1 t -107.51 145.06 33.61 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -43.16 -40.01 3.1 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.924 1.69 . . . . 0.0 111.969 164.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.01 -46.54 87.17 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.063 -1.023 . . . . 0.0 112.403 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.33 -44.72 90.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.213 -0.929 . . . . 0.0 110.897 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 m -66.43 -42.75 90.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.076 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.267 2.9 pp -62.66 -38.98 92.45 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.501 1.5 . . . . 0.0 112.386 176.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -62.29 -58.02 9.25 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.861 0.838 . . . . 0.0 110.867 176.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -53.9 -56.12 20.66 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.056 0.942 . . . . 0.0 111.332 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 85.2 mt -53.81 -53.94 23.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 C-N-CA 123.333 0.653 . . . . 0.0 110.707 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.49 -37.54 73.12 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.722 -1.236 . . . . 0.0 112.559 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.5 m -60.53 -57.74 11.45 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.431 -0.793 . . . . 0.0 111.947 170.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -56.49 -39.87 74.0 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.142 1.777 . . . . 0.0 112.679 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -55.85 -42.18 75.42 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 119.895 -1.753 . . . . 0.0 111.31 167.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.4 m -71.4 -43.64 66.42 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.269 -1.519 . . . . 0.0 113.975 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -47.05 -52.57 14.71 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.704 0.684 . . . . 0.0 111.117 160.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -57.71 -39.0 76.21 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -54.73 -52.47 62.4 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.844 -1.16 . . . . 0.0 110.607 168.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.4 mt -55.68 -50.54 69.99 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -52.52 -45.41 66.27 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.052 -1.655 . . . . 0.0 112.448 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -72.62 -14.91 61.71 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 119.91 -1.744 . . . . 0.0 114.517 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -85.18 -35.08 21.91 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.461 1.905 . . . . 0.0 112.124 171.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -48.39 129.27 15.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.9 0.88 . . . . 0.0 112.923 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.23 150.53 0.13 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.719 2.008 . . . . 0.0 114.08 167.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.4 tt -134.17 117.76 16.89 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 153.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -69.45 15.12 0.08 Allowed 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -176.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? 68.49 -49.22 0.56 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.694 1.998 . . . . 0.0 116.179 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.83 21.87 73.44 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 118.741 0.7 . . . . 0.0 112.161 -165.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 50.7 m 46.06 -99.14 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.742 1.617 . . . . 0.0 113.698 -175.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 61.6 mt -81.21 60.69 4.43 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.094 0.957 . . . . 0.0 111.626 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 CA--C 1.535 0.398 0 C-N-CA 123.992 0.917 . . . . 0.0 111.537 177.461 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.8 p80 . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.7 ttm 33.48 75.03 0.05 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.152 2.181 . . . . 0.0 115.454 173.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.53 77.47 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.056 1.743 . . . . 0.0 113.757 -172.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 65.57 1.13 Allowed 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.665 -1.272 . . . . 0.0 110.755 178.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.7 p -73.16 -84.39 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.553 1.541 . . . . 0.0 111.478 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.49 -131.87 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 125.437 1.495 . . . . 0.0 111.038 -172.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -116.61 65.25 0.71 Allowed 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.174 -1.579 . . . . 0.0 111.939 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.98 96.56 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.81 0.844 . . . . 0.0 111.806 172.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 p -82.49 -179.27 7.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.243 1.017 . . . . 0.0 111.001 168.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.7 29.7 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -160.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.7 p -59.7 -55.0 39.87 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.041 -1.037 . . . . 0.0 113.546 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 pm0 -65.24 -37.58 87.69 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.483 -1.385 . . . . 0.0 112.122 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -42.84 97.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.168 -0.957 . . . . 0.0 111.515 174.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.05 93.47 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.071 0.939 . . . . 0.0 112.28 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.61 -30.08 47.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 120.964 -1.085 . . . . 0.0 111.011 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 8.2 tp -75.2 -30.22 60.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.791 1.236 . . . . 0.0 112.417 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.02 -48.63 78.03 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.128 -0.983 . . . . 0.0 109.023 164.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -58.34 -38.17 76.61 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.714 -1.241 . . . . 0.0 113.167 174.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 76' ' ' LEU . 19.4 m-85 -53.82 -46.78 71.25 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.106 -1.621 . . . . 0.0 113.13 167.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.47 -38.76 62.83 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 120.071 1.305 . . . . 0.0 112.858 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -48.31 -42.89 32.32 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.021 -1.049 . . . . 0.0 110.881 162.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.8 m -76.99 -13.45 59.96 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 54.69 76.89 0.22 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.943 2.097 . . . . 0.0 112.243 -162.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.7 mt -133.99 142.25 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.893 1.677 . . . . 0.0 111.472 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -108.71 130.91 55.36 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.146 1.779 . . . . 0.0 110.751 169.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.8 mm -103.21 116.23 62.62 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 124.596 1.158 . . . . 0.0 111.214 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -48.06 127.83 15.64 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.328 2.685 . . . . 0.0 112.977 168.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.7 p -39.81 -51.22 2.41 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.133 2.173 . . . . 0.0 113.408 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -38.36 -57.62 1.1 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.82 1.648 . . . . 0.0 113.911 175.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.5 pt -69.46 -29.37 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 120.784 -1.198 . . . . 0.0 113.488 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.79 -45.43 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 O-C-N 120.913 -1.117 . . . . 0.0 110.252 168.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.62 -64.64 0.77 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.271 1.028 . . . . 0.0 110.715 175.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -51.98 -49.82 62.5 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 122.349 1.071 . . . . 0.0 110.759 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -52.42 53.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.874 175.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.37 -38.0 72.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 118.34 -0.838 . . . . 0.0 112.847 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -58.71 -55.12 39.18 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.732 1.151 . . . . 0.0 112.083 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -62.96 -38.34 90.72 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.389 -0.82 . . . . 0.0 112.162 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.24 53.61 2.2 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.566 1.146 . . . . 0.0 113.687 167.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.79 179.52 0.49 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.564 1.146 . . . . 0.0 112.064 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -121.38 -33.72 3.6 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -170.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.4 t -100.55 145.89 27.77 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.099 -1.001 . . . . 0.0 113.09 -176.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -47.53 -42.28 23.01 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.29 -0.881 . . . . 0.0 112.53 166.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -63.05 -37.61 87.88 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.93 -1.106 . . . . 0.0 113.089 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -67.58 -55.6 12.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.061 -0.4 . . . . 0.0 110.685 176.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.29 -37.33 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.063 -174.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -65.61 -38.34 89.16 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 120.596 -1.315 . . . . 0.0 112.186 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.267 2.5 p30 -73.42 -45.55 53.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 117.897 -1.521 . . . . 0.0 111.315 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -56.8 -58.03 9.89 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 122.993 0.517 . . . . 0.0 111.501 172.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 71.3 mt -50.92 -56.51 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 O-C-N 121.477 -0.764 . . . . 0.0 110.839 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -29.69 70.3 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.092 -1.005 . . . . 0.0 112.47 -176.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.1 m -63.17 -55.29 26.37 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.131 -0.981 . . . . 0.0 112.468 168.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -64.05 -35.29 80.25 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.528 -1.357 . . . . 0.0 110.9 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -57.55 -36.69 71.97 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 119.772 -1.83 . . . . 0.0 111.909 167.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 85.2 m -66.2 -43.75 85.87 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.436 -1.415 . . . . 0.0 113.246 171.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -47.59 -51.86 19.75 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.682 0.673 . . . . 0.0 110.899 163.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -57.87 -40.96 81.47 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -52.22 -55.06 23.6 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.075 1.307 . . . . 0.0 110.145 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -57.58 -52.07 66.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.765 0.426 . . . . 0.0 112.105 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -45.05 -44.1 9.9 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.294 -1.504 . . . . 0.0 113.47 169.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -82.27 -12.07 58.26 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.767 -1.208 . . . . 0.0 113.424 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -81.37 -34.53 31.67 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.005 2.122 . . . . 0.0 111.604 170.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -51.61 149.25 4.61 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.096 0.559 . . . . 0.0 111.988 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -119.73 126.41 51.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.208 1.403 . . . . 0.0 111.825 -171.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.48 103.5 12.88 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.245 0.93 . . . . 0.0 109.959 171.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -69.38 1.91 3.47 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.6 1.16 . . . . 0.0 114.032 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 70.85 -61.05 0.49 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.497 1.919 . . . . 0.0 112.794 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.43 -73.02 0.6 Allowed Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.236 0.446 . . . . 0.0 112.147 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.8 t -69.84 146.92 50.97 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.991 -0.711 . . . . 0.0 111.915 171.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -68.36 168.82 11.8 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 122.02 -0.425 . . . . 0.0 111.223 161.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 59.8 tttm . . . . . 0 CA--C 1.54 0.571 0 O-C-N 121.352 -0.843 . . . . 0.0 111.841 -177.194 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 121.377 0.608 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -80.47 51.03 1.38 Allowed 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.376 -1.452 . . . . 0.0 112.228 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.93 177.05 5.56 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.655 1.582 . . . . 0.0 112.163 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.78 46.06 1.02 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.822 0.82 . . . . 0.0 111.151 168.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 71.4 p -75.2 -114.09 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.058 -1.026 . . . . 0.0 110.727 177.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 11.7 p -63.23 -35.07 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.666 0.786 . . . . 0.0 110.369 164.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -34.16 115.35 0.24 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.016 1.726 . . . . 0.0 111.413 161.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt 65.29 89.71 0.09 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.187 0.995 . . . . 0.0 113.162 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 10.1 t -102.26 -178.99 3.86 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.661 1.585 . . . . 0.0 112.012 165.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.02 -66.91 0.2 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.232 1.813 . . . . 0.0 115.58 -167.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.2 p -58.09 -57.5 12.58 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -61.17 -31.57 71.31 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.957 1.253 . . . . 0.0 113.121 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.13 -51.55 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.103 -0.998 . . . . 0.0 111.169 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.61 77.03 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 123.17 1.462 . . . . 0.0 111.607 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.61 -31.44 52.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 121.088 -1.008 . . . . 0.0 112.212 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -29.89 65.74 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 169.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.32 -51.41 12.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.23 -43.11 64.11 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.482 -1.386 . . . . 0.0 111.952 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -52.79 -46.65 67.73 Favored 'General case' 0 C--O 1.227 -0.112 0 O-C-N 120.622 -1.299 . . . . 0.0 112.45 170.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -79.02 -25.89 43.24 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.62 -30.92 67.64 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 119.454 -2.029 . . . . 0.0 111.441 156.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -85.41 0.48 52.08 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 120.422 -1.424 . . . . 0.0 113.579 167.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.7 m120 41.65 60.79 2.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.667 2.787 . . . . 0.0 114.736 -163.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 11.0 mt -123.85 91.61 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.533 1.533 . . . . 0.0 112.409 -173.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 33.1 ttp85 -67.07 137.86 56.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.614 -1.304 . . . . 0.0 111.144 -177.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 33.4 mm -99.65 115.59 65.5 Favored Pre-proline 0 CA--C 1.545 0.775 0 O-C-N 120.082 -1.636 . . . . 0.0 111.22 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -53.6 141.2 64.12 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.392 2.061 . . . . 0.0 110.446 168.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t -56.28 -17.31 7.26 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.764 -0.585 . . . . 0.0 112.317 171.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.78 -10.62 57.96 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 129.869 3.268 . . . . 0.0 112.113 -176.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 mm -75.4 -52.14 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 120.244 -1.535 . . . . 0.0 108.884 154.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 71.0 mt -66.59 -30.92 51.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 124.352 1.061 . . . . 0.0 111.536 -169.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.22 -55.27 4.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.81 2.444 . . . . 0.0 111.931 169.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -72.93 -67.35 0.57 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.274 1.829 . . . . 0.0 110.699 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -52.76 11.01 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.87 1.268 . . . . 0.0 113.147 -159.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 83.6 t -53.02 -34.41 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.452 1.101 . . . . 0.0 113.306 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -69.67 -49.58 52.26 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.093 0.557 . . . . 0.0 112.137 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.18 69.6 2.74 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.737 1.256 . . . . 0.0 110.215 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -56.0 77.38 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.752 2.021 . . . . 0.0 115.66 -166.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.96 156.75 20.22 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.328 -0.858 . . . . 0.0 111.365 170.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -87.51 -55.28 3.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.485 1.514 . . . . 0.0 111.64 -168.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 44.0 t -106.02 150.69 25.5 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -167.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -32.31 -53.57 0.31 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.971 2.108 . . . . 0.0 111.7 156.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -61.4 -42.07 98.15 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.226 -0.922 . . . . 0.0 112.019 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -69.27 -46.83 66.29 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 123.877 0.871 . . . . 0.0 111.211 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.12 -42.28 95.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.975 176.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.296 3.6 pp -65.81 -35.76 81.59 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.148 1.34 . . . . 0.0 112.984 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.35 -58.8 6.94 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.146 -0.971 . . . . 0.0 111.222 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -60.89 -44.55 96.95 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.793 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 85.4 mt -58.71 -52.45 59.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 O-C-N 120.864 -1.147 . . . . 0.0 112.278 173.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.88 -45.08 50.26 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 121.128 1.785 . . . . 0.0 110.982 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 11.5 m -57.01 -53.71 55.04 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.471 -0.768 . . . . 0.0 113.031 173.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.7 -27.88 69.21 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.703 -1.248 . . . . 0.0 113.422 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -68.33 -24.45 64.83 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 119.871 -1.768 . . . . 0.0 111.718 167.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.4 23.5 m -70.69 -40.14 73.09 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.637 -1.914 . . . . 0.0 114.995 161.155 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -51.73 -63.08 1.25 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 120.807 1.639 . . . . 0.0 111.518 162.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -55.16 -39.83 69.94 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -49.44 77.57 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.61 1.55 . . . . 0.0 112.097 170.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.66 -42.02 98.34 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.253 0.933 . . . . 0.0 111.95 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.34 -49.31 72.56 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 123.475 1.607 . . . . 0.0 111.503 171.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.62 -33.61 73.03 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.125 -1.609 . . . . 0.0 112.778 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -75.54 -13.48 60.36 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.519 1.928 . . . . 0.0 113.631 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -76.49 45.17 0.38 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 -167.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER 32.53 103.97 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 130.734 3.613 . . . . 0.0 118.968 171.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.23 105.01 12.97 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.605 -1.309 . . . . 0.0 109.361 157.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -27.25 68.96 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.271 -0.893 . . . . 0.0 113.044 176.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 47.22 29.94 1.32 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.944 2.098 . . . . 0.0 115.13 174.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 48.83 36.25 19.17 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.261 0.934 . . . . 0.0 113.108 -172.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 9.4 t 65.92 -65.97 0.17 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.826 1.25 . . . . 0.0 112.165 -163.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 85.8 mt -125.51 127.11 45.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.821 1.649 . . . . 0.0 108.526 166.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 21.2 tptt . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 124.704 1.201 . . . . 0.0 112.056 -169.449 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.3 p80 . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.2 ttm 48.77 61.96 2.82 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.94 1.696 . . . . 0.0 113.141 -176.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.5 88.17 0.09 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 122.516 1.15 . . . . 0.0 111.651 176.34 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.22 55.78 0.21 Allowed 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.755 -1.216 . . . . 0.0 110.286 164.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 m 54.23 69.99 0.66 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.021 2.128 . . . . 0.0 112.717 -172.213 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -118.66 -66.89 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 123.96 0.904 . . . . 0.0 112.887 -175.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -83.78 51.59 2.06 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.644 -1.285 . . . . 0.0 113.934 -166.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -94.07 117.98 30.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.542 1.937 . . . . 0.0 111.211 -179.476 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -98.63 174.27 6.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.478 1.911 . . . . 0.0 113.143 170.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -33.68 -67.1 0.14 Allowed 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -167.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -63.14 -51.05 68.04 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -176.162 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -65.89 -33.54 76.06 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.44 -1.413 . . . . 0.0 112.807 178.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -62.87 -52.35 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 120.877 -1.139 . . . . 0.0 110.254 171.244 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.85 71.82 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 122.609 1.195 . . . . 0.0 111.233 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.96 -40.5 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 O-C-N 121.351 -0.843 . . . . 0.0 111.875 174.312 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.2 -33.38 75.36 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 171.437 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.39 -55.09 13.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.96 0.886 . . . . 0.0 108.769 175.142 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.4 mt -49.86 -40.88 44.01 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.064 -1.023 . . . . 0.0 112.409 171.236 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -53.84 -56.57 16.42 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.324 -1.485 . . . . 0.0 113.035 171.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.55 -31.87 62.25 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.523 1.056 . . . . 0.0 112.927 -174.087 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -52.49 -44.17 65.47 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 120.202 -1.562 . . . . 0.0 111.366 160.418 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.6 t -73.25 -2.95 23.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.695 1.198 . . . . 0.0 113.868 174.132 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 62.51 46.04 5.9 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 129.47 3.108 . . . . 0.0 113.545 -175.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.2 mt -113.5 107.05 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.211 1.004 . . . . 0.0 112.081 173.585 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.74 118.18 16.39 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 165.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.3 mm -77.31 124.93 86.99 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 120.394 -1.441 . . . . 0.0 110.542 174.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.83 131.25 19.38 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 121.958 1.772 . . . . 0.0 110.123 170.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 m -47.92 -36.66 12.73 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.432 1.893 . . . . 0.0 113.677 -170.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.89 -45.22 15.1 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 173.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.3 mm -50.49 -51.9 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.671 0.748 . . . . 0.0 110.64 170.653 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.6 mt -68.71 -46.24 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.028 -171.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -49.83 -49.2 49.9 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.745 0.818 . . . . 0.0 112.447 177.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -63.12 -64.26 0.96 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.299 1.44 . . . . 0.0 110.968 173.038 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -47.32 81.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.071 0.948 . . . . 0.0 113.095 -169.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.97 -38.72 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 O-C-N 120.88 -1.138 . . . . 0.0 111.741 172.042 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -63.24 1.19 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.466 0.575 . . . . 0.0 111.287 171.33 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -84.66 63.94 8.23 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 122.437 1.113 . . . . 0.0 112.3 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -55.23 103.62 0.1 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.338 1.055 . . . . 0.0 113.235 -178.504 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.5 mt -73.85 177.55 5.48 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.176 0.989 . . . . 0.0 112.794 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -64.55 -43.29 94.41 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.798 0.839 . . . . 0.0 112.887 -161.156 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.406 ' OG ' ' NZ ' ' B' ' 130' ' ' LYS . 10.1 t -178.13 172.23 1.61 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.674 0.79 . . . . 0.0 110.883 -158.463 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.454 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 3.9 mp0 -43.35 -62.28 1.11 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.605 1.962 . . . . 0.0 113.53 -165.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -56.37 -37.3 69.89 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.035 -176.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -77.46 -43.18 33.23 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 124.791 1.236 . . . . 0.0 110.921 -173.235 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.3 m -62.98 -44.48 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.667 168.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.36 -37.5 74.63 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.709 -1.244 . . . . 0.0 112.208 -174.146 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -51.03 -58.76 5.25 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.116 0.967 . . . . 0.0 110.869 167.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -53.02 -56.33 16.88 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 123.123 0.569 . . . . 0.0 111.611 178.317 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.0 mt -53.46 -47.15 59.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.284 1.034 . . . . 0.0 111.724 178.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.79 -37.7 76.9 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 119.745 -1.847 . . . . 0.0 112.756 173.217 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.8 m -66.07 -54.43 25.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.005 0.922 . . . . 0.0 112.618 174.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.9 -34.06 75.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.854 1.261 . . . . 0.0 111.705 175.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -63.95 -29.64 70.79 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 119.888 -1.757 . . . . 0.0 112.219 166.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.333 93.7 m -69.95 -39.51 76.02 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 120.497 -1.377 . . . . 0.0 114.316 169.004 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -50.27 -61.17 2.32 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.72 1.145 . . . . 0.0 111.061 159.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -52.31 -42.3 63.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -50.3 -49.95 52.11 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.796 -1.19 . . . . 0.0 111.533 172.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.52 -48.08 82.01 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.541 1.064 . . . . 0.0 112.458 172.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.26 -10.52 24.23 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 172.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -102.21 -2.71 28.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.945 1.698 . . . . 0.0 112.471 170.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -101.73 -52.18 3.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.856 2.062 . . . . 0.0 111.467 -174.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -46.3 133.32 9.64 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.353 1.061 . . . . 0.0 112.46 177.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -97.19 128.26 43.91 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.622 -1.299 . . . . 0.0 111.897 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.54 100.33 6.87 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.234 -0.916 . . . . 0.0 109.16 172.848 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -67.97 -4.4 13.04 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.326 -1.484 . . . . 0.0 114.131 -175.144 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 83.14 -61.43 0.13 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.218 1.807 . . . . 0.0 113.646 163.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.52 -70.56 0.52 Allowed Glycine 0 CA--C 1.539 1.558 0 O-C-N 121.946 -0.471 . . . . 0.0 112.585 -175.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 92.6 p -72.65 62.81 0.57 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.04 1.336 . . . . 0.0 112.065 176.319 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.24 65.54 1.6 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.429 1.092 . . . . 0.0 112.233 -175.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 CA--C 1.543 0.683 0 O-C-N 120.874 -1.141 . . . . 0.0 111.825 179.9 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 72.9 t60 . . . . . 0 CA--C 1.544 0.741 0 CA-C-O 121.626 0.727 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -72.9 155.55 39.77 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.157 -0.964 . . . . 0.0 110.59 169.273 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -75.14 75.81 2.3 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 123.058 1.408 . . . . 0.0 112.664 179.572 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.81 56.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 129.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 4.9 m -60.68 100.59 0.11 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.601 1.56 . . . . 0.0 114.895 -155.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 87.7 t -60.57 145.35 12.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.136 0.574 . . . . 0.0 110.553 168.55 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -32.35 113.98 0.14 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.5 1.92 . . . . 0.0 116.024 178.444 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp 61.61 71.49 0.55 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.378 1.071 . . . . 0.0 113.068 174.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.5 t -91.3 -167.76 1.88 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.402 -0.812 . . . . 0.0 112.581 165.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.48 -68.28 0.2 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -164.405 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 83.7 m -61.58 -47.38 85.75 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.141 -0.975 . . . . 0.0 112.738 -173.281 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 pm0 -65.58 -38.45 89.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.793 0.837 . . . . 0.0 111.649 -178.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.97 -49.38 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 O-C-N 121.169 -0.957 . . . . 0.0 111.034 168.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.84 -40.16 63.12 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.605 1.193 . . . . 0.0 111.348 176.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.7 t -71.75 -37.86 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 123.929 0.892 . . . . 0.0 112.371 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.06 -34.35 76.09 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 169.134 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.33 -50.69 44.13 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -49.56 -38.41 31.08 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.849 -1.157 . . . . 0.0 113.008 168.875 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -56.48 -54.24 48.07 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 120.16 -1.588 . . . . 0.0 113.061 169.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.279 15.9 mm-40 -79.67 -22.7 43.16 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.962 1.256 . . . . 0.0 114.122 -175.09 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -52.59 -41.85 64.01 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.145 -1.597 . . . . 0.0 111.079 155.681 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 16.3 m -80.22 2.74 23.2 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 172.769 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 45.63 65.26 1.18 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.109 1.764 . . . . 0.0 112.343 -165.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 79.2 mt -124.07 103.37 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.579 1.152 . . . . 0.0 111.545 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 138.46 57.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.035 168.349 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 13.5 mm -108.38 129.99 23.34 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 125.635 1.574 . . . . 0.0 110.229 176.019 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -62.17 143.67 94.75 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.822 2.348 . . . . 0.0 112.752 169.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 61.1 p -48.4 -58.31 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.116 1.766 . . . . 0.0 112.664 173.389 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -40.52 -54.26 2.54 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.811 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . 0.25 15.2 pt -64.46 -35.02 73.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 O-C-N 120.678 -1.263 . . . . 0.0 113.168 177.303 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.28 -50.49 80.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 120.538 1.517 . . . . 0.0 111.224 171.216 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -48.36 -50.45 30.53 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.183 1.793 . . . . 0.0 111.318 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.86 -58.36 5.78 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.631 0.772 . . . . 0.0 111.89 172.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -55.29 -39.71 70.21 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.696 1.198 . . . . 0.0 113.105 -164.833 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 71.6 t -46.5 -49.4 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 O-C-N 121.268 -0.895 . . . . 0.0 112.56 168.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -65.82 -40.6 91.99 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.083 -1.011 . . . . 0.0 112.216 174.23 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -59.6 -35.0 73.45 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.392 -0.817 . . . . 0.0 112.456 176.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . 0.313 0.0 OUTLIER 26.17 59.32 0.07 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 128.155 2.582 . . . . 0.0 116.588 -178.192 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.0 156.06 15.53 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.327 -0.858 . . . . 0.0 111.629 176.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -72.02 -57.92 3.87 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 120.737 -1.227 . . . . 0.0 110.41 -152.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.0 p -96.51 163.92 12.83 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -39.85 -53.81 2.23 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.914 2.085 . . . . 0.0 111.269 161.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -59.14 -40.09 84.42 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.388 0.675 . . . . 0.0 112.503 -178.19 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -68.9 -47.49 65.69 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.881 -0.512 . . . . 0.0 111.739 178.197 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.03 -43.27 97.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.998 178.66 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.274 3.3 pp -67.64 -33.79 75.66 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.765 -1.21 . . . . 0.0 112.69 178.46 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -55.35 -62.39 1.7 Allowed 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.761 -1.212 . . . . 0.0 111.364 168.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -52.29 -53.28 46.15 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.773 0.829 . . . . 0.0 111.705 179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 87.7 mt -56.11 -55.34 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 123.676 0.79 . . . . 0.0 111.454 177.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -50.31 -40.29 48.3 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 120.683 1.583 . . . . 0.0 112.151 174.192 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.3 m -64.86 -59.46 4.18 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.076 0.95 . . . . 0.0 113.151 176.416 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.78 -34.75 78.6 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.509 -1.369 . . . . 0.0 111.977 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -56.88 -33.38 66.8 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.194 -1.566 . . . . 0.0 112.643 165.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.252 72.7 m -73.11 -31.93 64.64 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.582 -1.324 . . . . 0.0 114.247 167.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -58.29 6.29 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.192 1.36 . . . . 0.0 110.549 159.276 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -52.68 -43.63 65.7 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.934 -1.104 . . . . 0.0 113.764 174.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -49.25 -53.54 21.12 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.261 -0.9 . . . . 0.0 110.806 171.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.36 -53.17 61.26 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 176.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -49.42 -38.26 28.54 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.16 1.346 . . . . 0.0 112.676 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -87.53 -6.81 58.18 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -88.46 -39.63 14.09 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.163 2.185 . . . . 0.0 110.731 169.54 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -54.62 134.87 47.03 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.186 0.995 . . . . 0.0 113.039 174.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 140.68 58.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.702 1.601 . . . . 0.0 114.085 171.481 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 24.4 tp -95.7 102.14 13.91 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.39 1.45 . . . . 0.0 110.795 144.203 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.67 -7.87 12.33 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -177.875 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 71.09 -48.08 0.67 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.815 1.646 . . . . 0.0 113.886 -177.754 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.7 -55.64 5.01 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.797 0.713 . . . . 0.0 112.018 173.249 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 85.8 p -140.06 -103.15 0.16 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.201 0.6 . . . . 0.0 111.068 165.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 59.6 mt 56.79 -168.01 0.11 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.558 1.171 . . . . 0.0 112.157 -175.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . 0.406 ' NZ ' ' OG ' ' A' ' 101' ' ' SER . 46.9 mtmt . . . . . 0 CA--C 1.539 0.54 0 O-C-N 120.436 -1.415 . . . . 0.0 110.455 175.621 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.4 tpt -93.47 46.93 1.22 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.842 0.829 . . . . 0.0 113.208 -174.436 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.57 67.28 1.09 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 122.995 1.379 . . . . 0.0 109.972 168.355 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.51 75.21 2.55 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.442 1.097 . . . . 0.0 113.067 -167.293 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.6 t -106.71 168.71 8.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.354 0.661 . . . . 0.0 110.777 160.123 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.6 t -79.06 64.0 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 O-C-N 121.235 -0.916 . . . . 0.0 109.568 177.257 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.43 71.45 2.39 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.45 -0.781 . . . . 0.0 112.123 -175.622 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.21 81.7 5.52 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 160.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 p -104.82 -155.54 0.54 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.402 1.081 . . . . 0.0 111.651 168.488 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.95 -69.05 0.12 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -158.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.3 p -65.52 -43.19 90.82 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.8 0.809 . . . . 0.0 112.436 -170.076 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -68.83 -40.87 79.21 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.559 1.144 . . . . 0.0 110.904 -177.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.9 -46.06 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 121.197 -0.939 . . . . 0.0 111.172 171.145 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.4 -40.8 75.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.936 0.874 . . . . 0.0 111.596 -179.73 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.278 16.0 t -79.1 -32.18 15.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 121.42 -0.8 . . . . 0.0 112.704 176.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.34 -34.74 75.77 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.245 -1.534 . . . . 0.0 114.478 168.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -55.21 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 169.132 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.8 mt -51.86 -37.02 50.41 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 118.54 -0.743 . . . . 0.0 112.411 177.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.4 ' CE1' HD13 ' B' ' 124' ' ' LEU . 26.6 m-85 -62.4 -71.24 0.16 Allowed 'General case' 0 C--O 1.239 0.504 0 CA-C-N 120.818 1.645 . . . . 0.0 113.05 166.606 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -70.06 -40.35 75.11 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.961 0.41 . . . . 0.0 110.387 -161.327 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -65.31 -41.0 94.48 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.164 -0.96 . . . . 0.0 112.533 173.23 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.8 t -58.26 -42.78 87.21 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 120.406 -1.434 . . . . 0.0 111.425 170.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . 0.262 20.3 p-10 125.39 18.39 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 130.463 3.505 . . . . 0.0 114.399 173.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.2 mp -84.92 114.36 25.0 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 C-N-CA 125.642 1.577 . . . . 0.0 109.058 171.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -79.1 116.91 19.68 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.053 165.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.3 mm -77.07 136.62 65.81 Favored Pre-proline 0 CA--C 1.548 0.869 0 O-C-N 120.852 -1.155 . . . . 0.0 111.841 176.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -74.87 130.8 13.76 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 121.537 1.491 . . . . 0.0 109.618 169.212 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 p -48.73 -39.65 25.57 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.957 1.703 . . . . 0.0 114.326 -175.757 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -40.17 -60.31 1.09 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.902 1.281 . . . . 0.0 113.76 174.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.25 19.4 pt -65.35 -27.7 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 120.199 -1.563 . . . . 0.0 112.683 178.73 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.58 -43.68 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 120.754 -1.216 . . . . 0.0 111.335 170.06 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -47.24 -60.23 2.63 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.819 0.848 . . . . 0.0 111.628 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.81 -46.39 65.79 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 178.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.47 -45.55 73.18 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.542 -1.349 . . . . 0.0 112.314 -178.121 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.64 -35.82 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 121.095 -1.003 . . . . 0.0 113.213 170.628 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -67.34 -64.15 0.92 Allowed 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.28 -0.887 . . . . 0.0 110.755 172.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -60.3 -46.88 88.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.561 1.144 . . . . 0.0 113.061 -174.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 56.69 73.23 0.46 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.54 1.136 . . . . 0.0 112.833 162.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.94 165.79 24.5 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.449 -172.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.12 -25.2 51.87 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -157.5 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -150.79 167.87 26.14 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -46.47 -40.84 13.06 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.734 2.014 . . . . 0.0 112.73 -178.602 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -55.54 -52.17 64.61 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.77 1.228 . . . . 0.0 111.658 175.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.39 -44.44 78.87 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.659 -0.651 . . . . 0.0 111.528 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.01 -38.38 81.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.188 177.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 3.7 pp -65.2 -37.55 87.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.782 1.628 . . . . 0.0 111.541 174.444 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.23 -57.78 11.34 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.043 0.838 . . . . 0.0 111.467 174.762 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -49.25 -58.61 4.74 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.504 -0.748 . . . . 0.0 111.221 173.864 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.16 -52.22 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 121.349 -0.845 . . . . 0.0 111.014 -172.634 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.96 -39.83 86.97 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.778 -1.201 . . . . 0.0 112.154 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.3 p -62.91 -51.5 66.7 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.026 -1.046 . . . . 0.0 112.948 172.503 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -70.88 -35.72 72.46 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.446 1.475 . . . . 0.0 112.343 -177.683 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -53.26 -32.82 50.38 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.978 -1.701 . . . . 0.0 111.792 161.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.302 96.9 m -78.8 -33.09 46.52 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 119.967 -1.708 . . . . 0.0 114.565 172.335 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -50.24 -58.45 5.59 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.991 1.269 . . . . 0.0 110.237 156.809 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -54.21 -39.27 66.55 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -49.3 75.05 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.138 -1.601 . . . . 0.0 112.391 173.165 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.13 -35.18 79.91 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.512 -0.743 . . . . 0.0 112.167 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -54.66 -62.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.428 1.091 . . . . 0.0 110.447 168.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -61.75 -12.57 17.53 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.887 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -75.28 -32.27 60.98 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.157 1.383 . . . . 0.0 113.062 168.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -63.61 135.57 56.88 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.052 -1.03 . . . . 0.0 113.61 -179.472 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 131.97 44.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.771 3.228 . . . . 0.0 115.744 178.793 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.0 tp -86.9 109.31 19.24 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.251 1.387 . . . . 0.0 110.327 149.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.48 26.04 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 179.344 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? 56.26 -67.01 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.74 2.016 . . . . 0.0 115.484 -169.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 71.26 -84.12 0.42 Allowed Glycine 0 CA--C 1.537 1.406 0 O-C-N 121.226 -0.921 . . . . 0.0 111.48 -167.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 87.2 p -75.44 72.49 2.46 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.279 -1.13 . . . . 0.0 112.455 -178.422 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.0 mt -52.15 146.57 8.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.873 1.269 . . . . 0.0 113.658 175.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 CA--C 1.536 0.439 0 C-N-CA 124.602 1.161 . . . . 0.0 109.907 163.224 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 44.6 ttm -76.16 62.79 1.76 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.899 1.279 . . . . 0.0 113.094 -173.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -66.56 170.22 6.56 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.671 1.188 . . . . 0.0 110.408 164.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -17.75 76.94 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 130.431 3.493 . . . . 0.0 116.515 -175.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.69 47.42 0.73 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -166.682 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -77.27 82.67 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 120.339 -1.475 . . . . 0.0 108.73 176.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.03 160.19 21.46 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.574 1.95 . . . . 0.0 114.964 -170.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mp -8.57 90.5 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 129.664 3.185 . . . . 0.0 116.582 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -116.39 -171.69 2.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.295 2.238 . . . . 0.0 110.89 168.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -35.09 -66.16 0.19 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.502 1.921 . . . . 0.0 115.997 -166.206 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.6 m -65.37 -55.87 15.72 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.212 -0.93 . . . . 0.0 113.141 -170.101 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -59.13 -43.52 91.99 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.086 -1.009 . . . . 0.0 111.416 176.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.1 -44.65 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 120.901 -1.124 . . . . 0.0 110.992 174.048 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.62 81.41 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.522 1.153 . . . . 0.0 111.61 176.288 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . 0.254 7.0 t -72.21 -37.28 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 120.818 -1.176 . . . . 0.0 112.421 178.306 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -40.33 80.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.587 1.155 . . . . 0.0 113.588 168.301 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -56.18 17.61 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 122.16 0.981 . . . . 0.0 109.041 174.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 80.3 mt -54.84 -36.17 64.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.458 -0.776 . . . . 0.0 112.361 178.346 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -51.95 -58.22 7.14 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.928 1.24 . . . . 0.0 112.328 168.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -73.7 -26.94 60.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -173.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -56.43 -47.56 78.8 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.7 -1.25 . . . . 0.0 111.068 158.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -18.38 63.27 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 169.3 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 3.9 m120 75.26 66.12 0.07 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 130.008 3.323 . . . . 0.0 111.489 -175.509 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 55.4 mt -134.92 106.73 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.627 1.971 . . . . 0.0 112.69 -177.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -71.06 133.5 46.33 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.798 -0.564 . . . . 0.0 110.091 165.188 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.23 127.48 38.3 Favored Pre-proline 0 CA--C 1.541 0.634 0 O-C-N 121.036 -1.04 . . . . 0.0 110.49 175.158 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.4 114.73 4.12 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 121.297 1.331 . . . . 0.0 109.236 170.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -29.59 -43.32 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 128.856 2.862 . . . . 0.0 116.299 -175.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -41.21 -48.64 3.52 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.736 1.214 . . . . 0.0 113.51 173.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 27.6 mm -44.94 -60.55 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 123.667 0.787 . . . . 0.0 110.866 169.109 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.9 -46.64 96.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.513 1.125 . . . . 0.0 110.468 -174.341 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.31 -62.35 1.53 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.276 1.831 . . . . 0.0 110.255 177.842 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.35 -51.71 64.78 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.954 -1.091 . . . . 0.0 112.235 178.652 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -53.1 35.13 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.495 1.118 . . . . 0.0 111.984 -175.837 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 49.0 t -52.44 -53.11 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.811 0.844 . . . . 0.0 112.069 171.363 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -60.3 -53.59 55.78 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.722 0.772 . . . . 0.0 113.008 -176.233 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -59.66 -35.79 75.15 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.935 -1.103 . . . . 0.0 111.297 176.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? 69.27 71.84 0.26 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.288 1.435 . . . . 0.0 112.75 167.521 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.19 165.4 24.45 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.474 0.709 . . . . 0.0 110.336 163.084 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -112.07 -70.53 0.8 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.121 0.968 . . . . 0.0 112.704 -166.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -70.42 147.14 49.82 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -167.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.31 64.78 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.579 2.751 . . . . 0.0 109.502 168.886 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 178.7 -52.18 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 129.982 3.313 . . . . 0.0 109.691 -174.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.06 -48.09 73.95 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 120.783 -1.198 . . . . 0.0 111.145 176.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 24.3 m -59.59 -43.02 90.1 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.064 -176.826 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.05 -36.53 75.06 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 118.924 -1.11 . . . . 0.0 112.105 177.384 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -59.96 -51.74 68.4 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.27 0.941 . . . . 0.0 110.065 178.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -56.98 -55.7 31.29 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.758 0.823 . . . . 0.0 112.083 174.385 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.91 -54.53 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 123.487 0.715 . . . . 0.0 111.371 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -55.01 -41.0 70.74 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.302 -1.499 . . . . 0.0 112.276 177.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 84.0 m -60.13 -54.96 39.66 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.097 -1.002 . . . . 0.0 112.426 172.071 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.59 -30.02 68.68 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 120.42 -1.425 . . . . 0.0 113.492 -177.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -59.24 -42.72 91.76 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 120.359 -1.463 . . . . 0.0 110.147 164.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.295 88.5 m -58.67 -44.72 90.29 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.919 -1.113 . . . . 0.0 113.764 172.149 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -48.97 -57.32 6.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.044 0.838 . . . . 0.0 111.594 161.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -53.77 -44.68 70.25 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.153 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.277 19.2 pttm -58.06 -41.87 84.25 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 119.856 -1.778 . . . . 0.0 112.921 171.482 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.78 -42.48 95.04 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.448 1.022 . . . . 0.0 112.844 174.198 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . 0.454 ' CD ' ' HZ1' ' B' ' 122' ' ' LYS . 10.9 tp10 -53.5 -48.19 69.2 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.103 -1.623 . . . . 0.0 111.464 171.648 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.43 -11.35 32.36 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.564 1.546 . . . . 0.0 113.343 173.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -106.98 -27.79 10.44 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.486 1.914 . . . . 0.0 113.596 -177.601 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . 0.454 ' HZ1' ' CD ' ' B' ' 119' ' ' GLU . 75.7 mttt -41.73 135.3 2.28 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.788 1.235 . . . . 0.0 113.261 179.513 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.73 121.82 11.35 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -175.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . 0.4 HD13 ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -109.67 108.58 19.03 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 159.008 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -76.79 31.14 0.13 Allowed 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -175.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 63.4 -51.31 0.22 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.636 2.374 . . . . 0.0 115.898 -178.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.47 -125.51 23.64 Favored Glycine 0 CA--C 1.533 1.193 0 O-C-N 121.291 -0.881 . . . . 0.0 111.882 -175.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 51.7 p -77.69 59.34 1.99 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.645 1.222 . . . . 0.0 113.348 -176.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 48.4 tp -53.85 119.65 5.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.971 1.308 . . . . 0.0 111.882 177.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm . . . . . 0 CA--C 1.535 0.397 0 O-C-N 121.586 -0.696 . . . . 0.0 112.139 179.485 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.9 p80 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -77.2 53.49 1.0 Allowed 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.81 0.814 . . . . 0.0 112.522 179.12 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -78.2 145.39 35.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.753 1.221 . . . . 0.0 109.824 170.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -99.2 50.1 0.95 Allowed 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.443 -0.785 . . . . 0.0 112.035 173.145 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.9 m -68.22 141.07 56.06 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.058 -1.026 . . . . 0.0 108.426 157.635 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 t -71.98 68.78 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 122.509 1.147 . . . . 0.0 110.669 177.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.03 67.67 10.29 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.63 1.172 . . . . 0.0 111.798 -167.003 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mp -89.67 85.66 6.51 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 157.72 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.0 p -111.32 -153.67 0.52 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.797 1.639 . . . . 0.0 111.552 171.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.56 -74.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -157.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.2 p -60.07 -47.77 84.5 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -174.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -63.18 -42.61 99.41 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.354 -0.841 . . . . 0.0 111.666 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.12 -46.25 88.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 O-C-N 121.201 -0.937 . . . . 0.0 111.492 173.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.08 76.42 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 122.223 1.011 . . . . 0.0 111.461 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.5 t -70.12 -36.74 69.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 O-C-N 121.538 -0.726 . . . . 0.0 112.12 175.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.92 -40.0 91.52 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 168.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.46 -50.23 66.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.604 -0.685 . . . . 0.0 109.216 176.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.5 mt -45.81 -48.94 15.63 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.089 -1.007 . . . . 0.0 112.22 170.395 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -50.17 -53.64 26.41 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.777 -1.202 . . . . 0.0 113.071 173.721 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -82.54 -25.11 33.67 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -173.003 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -48.77 -44.4 38.72 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.162 -1.586 . . . . 0.0 109.606 154.165 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 m -78.29 -2.22 36.94 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 175.453 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 48.86 68.62 0.68 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.741 2.816 . . . . 0.0 114.447 -165.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.2 mt -126.37 110.75 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 124.819 1.247 . . . . 0.0 110.314 175.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -66.84 140.33 57.8 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 118.054 -1.458 . . . . 0.0 110.011 165.794 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.1 mm -104.35 125.66 33.61 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 125.002 1.321 . . . . 0.0 108.286 167.852 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.82 135.62 23.88 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 N-CA-C 108.535 -1.371 . . . . 0.0 108.535 175.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -39.12 1.34 Allowed 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 126.568 1.947 . . . . 0.0 113.292 -177.519 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.94 -46.63 16.29 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.421 1.488 . . . . 0.0 113.674 174.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.0 mm -54.54 -51.9 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 O-C-N 121.382 -0.824 . . . . 0.0 110.289 171.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.69 -43.85 93.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.098 0.559 . . . . 0.0 110.661 -171.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -47.07 -59.72 2.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.303 1.441 . . . . 0.0 111.258 170.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -57.82 -59.37 5.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.036 0.935 . . . . 0.0 110.622 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -51.52 62.79 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.856 0.836 . . . . 0.0 112.043 -174.889 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.35 -23.8 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.231 1.012 . . . . 0.0 112.787 177.023 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -68.78 -57.5 5.52 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.857 1.208 . . . . 0.0 111.47 162.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -59.38 -45.02 92.6 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -172.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.15 71.37 0.45 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 174.37 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.9 mt -70.22 -175.95 1.08 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.977 1.311 . . . . 0.0 110.974 164.066 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -142.1 -25.56 0.66 Allowed 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -172.49 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -100.24 140.58 34.28 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.011 1.278 . . . . 0.0 113.704 -178.158 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 67.5 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 128.876 2.871 . . . . 0.0 110.021 170.422 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 174.8 -55.64 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 129.16 2.984 . . . . 0.0 108.498 -167.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -59.41 -51.59 69.25 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.589 0.755 . . . . 0.0 110.7 176.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.5 m -57.13 -46.72 84.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.137 177.436 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.27 1.2 pp -68.19 -39.48 82.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 118.797 -1.161 . . . . 0.0 112.183 -178.387 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.259 9.9 p30 -71.55 -42.29 68.04 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.23 1.377 . . . . 0.0 112.289 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.16 -55.48 34.38 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.924 0.889 . . . . 0.0 111.707 172.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -54.01 -49.04 63.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 O-C-N 120.739 -1.226 . . . . 0.0 111.254 176.042 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -60.27 -41.01 92.4 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.752 -1.218 . . . . 0.0 113.166 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 p -64.79 -49.8 69.25 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.855 -1.153 . . . . 0.0 112.541 172.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.85 -34.51 77.51 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.559 -1.338 . . . . 0.0 112.218 175.706 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -65.36 -20.94 66.61 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 119.924 -1.735 . . . . 0.0 111.847 169.327 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.274 90.9 m -83.54 -38.18 22.05 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 119.433 -2.042 . . . . 0.0 114.271 168.269 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -47.78 -57.86 5.07 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.669 1.122 . . . . 0.0 110.295 157.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -55.38 -38.77 69.3 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -55.45 -58.35 8.1 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.476 -1.39 . . . . 0.0 112.683 167.311 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.5 mt -56.98 -44.76 83.02 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.292 1.044 . . . . 0.0 111.925 -177.45 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -55.21 -51.65 65.9 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.62 1.168 . . . . 0.0 111.901 171.706 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -72.2 -10.5 59.87 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.175 -1.578 . . . . 0.0 114.559 176.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -39.13 84.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.453 1.101 . . . . 0.0 111.427 165.084 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -54.5 131.67 43.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -106.79 133.06 52.03 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.715 2.006 . . . . 0.0 111.41 -173.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 16.6 tp -84.45 98.76 10.26 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.391 0.996 . . . . 0.0 110.138 173.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -63.74 -10.42 19.56 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.394 -1.441 . . . . 0.0 112.828 177.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . 0.285 13.9 ptp180 71.71 -56.98 0.63 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.116 2.566 . . . . 0.0 116.434 155.467 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.27 -69.62 0.35 Allowed Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.196 -0.94 . . . . 0.0 112.361 -169.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 21.7 m 72.25 -56.82 0.64 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.954 2.102 . . . . 0.0 115.602 169.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 47.3 mt 52.08 39.19 26.02 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.128 1.371 . . . . 0.0 113.565 -175.552 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt . . . . . 0 CA--C 1.537 0.457 0 C-N-CA 125.575 1.55 . . . . 0.0 110.308 177.427 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 11.5 p80 . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.9 99.42 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.362 0.665 . . . . 0.0 109.265 166.113 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -84.92 -178.22 6.78 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 123.536 1.636 . . . . 0.0 115.31 -152.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -74.82 56.29 0.72 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 130.572 3.549 . . . . 0.0 111.082 -170.361 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 98.4 m 105.98 148.61 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 130.664 3.585 . . . . 0.0 108.157 -156.833 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 p -43.97 142.08 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 175.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.33 136.94 42.85 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.109 -0.994 . . . . 0.0 112.438 175.455 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.262 10.9 mp 66.87 71.58 0.38 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.658 1.218 . . . . 0.0 111.175 -173.556 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 16.9 t -89.78 -175.97 4.81 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.17 1.788 . . . . 0.0 112.378 170.09 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.0 -71.28 0.08 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -169.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.3 p -59.32 -45.48 91.21 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.051 -1.031 . . . . 0.0 113.379 -175.292 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.94 -37.04 85.01 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.009 0.923 . . . . 0.0 111.616 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.84 -51.9 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 120.953 -1.092 . . . . 0.0 111.701 170.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.86 66.1 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.602 1.192 . . . . 0.0 111.416 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 t -70.92 -40.46 76.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.432 173.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.15 -29.13 69.6 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 169.229 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.17 -55.19 7.69 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.668 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 34.2 mt -48.86 -41.28 32.63 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.39 -0.819 . . . . 0.0 111.957 170.31 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -54.6 -54.68 38.29 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 120.683 -1.261 . . . . 0.0 112.836 171.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.266 57.7 mm-40 -73.64 -20.16 60.65 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.357 1.435 . . . . 0.0 113.381 -178.765 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -58.77 -31.79 68.7 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 119.898 -1.752 . . . . 0.0 111.914 157.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 68.6 m -87.92 9.78 20.97 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.353 -1.467 . . . . 0.0 113.434 167.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 35.31 57.34 0.83 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.704 2.002 . . . . 0.0 113.926 -160.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 21.2 mt -105.26 104.78 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.528 1.131 . . . . 0.0 112.622 -178.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.69 115.64 15.58 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.921 0.867 . . . . 0.0 109.593 169.243 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 50.1 mm -82.63 130.77 57.21 Favored Pre-proline 0 CA--C 1.548 0.882 0 O-C-N 120.562 -1.336 . . . . 0.0 109.967 173.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.36 153.76 26.67 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.069 2.513 . . . . 0.0 112.943 169.762 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -53.16 -56.41 16.56 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.85 0.86 . . . . 0.0 112.385 171.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -41.92 -56.55 2.71 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.88 1.272 . . . . 0.0 113.312 178.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 33.9 mm -43.22 -56.26 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.985 0.422 . . . . 0.0 111.036 172.035 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.34 -47.32 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 O-C-N 121.448 -0.783 . . . . 0.0 110.804 -175.87 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.41 -55.79 22.14 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.86 1.264 . . . . 0.0 111.155 -179.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.45 -57.8 11.22 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.593 1.157 . . . . 0.0 110.775 174.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -50.71 70.32 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.519 -0.738 . . . . 0.0 112.129 -170.528 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.04 -46.36 54.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 O-C-N 120.949 -1.095 . . . . 0.0 111.95 168.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -46.51 61.05 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.848 -1.157 . . . . 0.0 113.412 171.453 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -69.47 -70.23 0.29 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.301 0.955 . . . . 0.0 111.94 175.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 62.71 88.07 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.826 2.45 . . . . 0.0 114.509 -168.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.35 168.38 16.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.171 163.595 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.07 -63.47 1.35 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.061 -1.024 . . . . 0.0 111.301 -167.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 45.2 t -83.51 149.17 26.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 122.104 0.954 . . . . 0.0 113.097 -175.44 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -31.62 -55.33 0.27 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.467 1.907 . . . . 0.0 111.524 153.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -57.75 -41.63 82.28 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.204 -0.935 . . . . 0.0 112.747 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -71.18 -48.92 48.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.139 0.576 . . . . 0.0 110.592 -175.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.77 -41.58 93.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.357 174.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.308 2.2 pp -70.73 -33.3 70.7 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.691 1.132 . . . . 0.0 112.661 -178.42 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -56.2 -60.91 2.82 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.981 -1.075 . . . . 0.0 111.558 166.812 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -51.16 -55.22 19.0 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.478 1.111 . . . . 0.0 111.298 179.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.1 mt -55.8 -56.52 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 123.943 0.897 . . . . 0.0 111.46 177.437 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -49.38 -47.19 47.84 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 121.087 1.767 . . . . 0.0 111.791 177.571 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 22.2 m -55.94 -56.04 25.46 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.602 -0.686 . . . . 0.0 111.812 174.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -61.12 -34.35 74.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 178.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 38.7 mtp180 -57.44 -36.55 71.53 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 119.73 -1.857 . . . . 0.0 110.783 168.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.295 77.3 m -72.9 -35.71 67.15 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 172.703 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -53.36 -57.52 10.3 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.993 1.27 . . . . 0.0 111.205 161.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -54.79 -45.03 74.24 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.227 -0.921 . . . . 0.0 113.147 179.172 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -45.41 -51.2 11.69 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.981 -1.074 . . . . 0.0 111.656 168.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.57 -45.84 88.59 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 175.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -54.86 -33.88 62.32 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 119.912 -1.743 . . . . 0.0 112.751 170.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -75.13 -7.21 53.14 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 119.994 -1.691 . . . . 0.0 112.805 175.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -111.73 -42.63 3.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.252 2.221 . . . . 0.0 113.434 -173.089 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -36.35 139.42 0.17 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 126.032 1.733 . . . . 0.0 114.956 178.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 130.03 43.02 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -178.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 17.4 tp -119.01 116.44 26.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.532 1.133 . . . . 0.0 109.733 157.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.52 23.65 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -174.382 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 68.37 -57.97 0.48 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.772 2.029 . . . . 0.0 114.705 177.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.67 44.88 2.81 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.598 1.57 . . . . 0.0 111.385 -166.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.5 t 67.0 178.11 0.23 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.199 1.4 . . . . 0.0 114.289 -173.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 32.6 tp -79.11 68.58 5.1 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.419 1.488 . . . . 0.0 111.157 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 CA--C 1.538 0.491 0 O-C-N 121.302 -0.874 . . . . 0.0 112.373 178.454 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 p80 . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 118.863 -0.589 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 ttp -156.58 128.25 7.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.674 1.124 . . . . 0.0 112.558 -169.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -62.74 152.57 35.31 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.156 0.979 . . . . 0.0 112.895 174.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.99 43.53 1.25 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.633 2.373 . . . . 0.0 110.207 178.753 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.5 m 66.51 -57.94 0.38 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 128.349 2.66 . . . . 0.0 115.203 174.396 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 t -78.38 67.91 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 O-C-N 120.748 -1.22 . . . . 0.0 110.417 -177.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.3 -176.14 0.2 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.572 1.549 . . . . 0.0 112.536 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt -14.72 93.76 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.482 2.713 . . . . 0.0 115.727 161.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.8 t -102.14 -170.36 1.8 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.518 1.927 . . . . 0.0 112.342 170.378 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.67 -63.56 1.02 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -168.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.5 p -66.18 -46.0 78.9 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.197 -0.939 . . . . 0.0 112.828 -171.375 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -67.22 -35.04 78.76 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.956 -1.09 . . . . 0.0 112.23 176.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.7 t -69.3 -42.78 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 O-C-N 120.687 -1.258 . . . . 0.0 112.217 173.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.39 64.14 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 122.418 1.104 . . . . 0.0 111.332 171.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.19 -35.92 60.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 123.469 0.708 . . . . 0.0 112.307 174.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mt -58.17 -33.7 69.51 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 168.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.23 -52.3 19.78 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.387 -0.821 . . . . 0.0 109.634 178.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 mt -56.84 -31.39 64.72 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.049 -1.032 . . . . 0.0 112.007 174.205 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -55.67 -58.63 7.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 120.764 -1.21 . . . . 0.0 113.43 165.108 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.28 52.4 mm-40 -72.49 -21.81 61.15 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 121.256 1.844 . . . . 0.0 113.622 -177.42 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -54.61 -40.19 68.65 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 119.973 -1.704 . . . . 0.0 111.674 158.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 p -84.42 9.22 13.86 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.234 -1.542 . . . . 0.0 114.214 171.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 39.86 58.2 2.15 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.307 2.243 . . . . 0.0 113.892 -163.699 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 22.9 mt -110.22 98.75 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.371 1.068 . . . . 0.0 113.256 178.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -68.63 129.33 39.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 118.739 -1.184 . . . . 0.0 109.417 164.507 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.9 mm -88.83 129.98 46.57 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.447 -0.783 . . . . 0.0 110.631 175.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.06 132.3 48.54 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.977 1.785 . . . . 0.0 112.187 169.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.8 m -41.17 -39.33 1.28 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.782 0.833 . . . . 0.0 112.922 168.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -36.9 81.33 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 178.517 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.7 mm -53.98 -54.16 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 O-C-N 120.743 -1.223 . . . . 0.0 109.294 167.297 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.66 -45.98 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 121.942 -0.474 . . . . 0.0 110.077 -168.651 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -41.96 -51.56 4.37 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.114 1.766 . . . . 0.0 112.829 173.121 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.47 -62.83 1.3 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.508 1.523 . . . . 0.0 111.187 174.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -44.28 74.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.168 1.387 . . . . 0.0 113.438 -170.075 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.2 t -51.41 -36.73 17.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 120.896 -1.127 . . . . 0.0 112.246 171.055 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -51.02 13.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.113 1.365 . . . . 0.0 113.111 174.145 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -57.67 -46.03 84.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.987 0.898 . . . . 0.0 111.781 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 47.4 69.38 0.52 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.808 2.443 . . . . 0.0 115.578 172.693 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.9 161.28 10.73 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.393 169.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -86.09 -63.69 1.28 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 122.134 0.968 . . . . 0.0 110.329 -158.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 m -78.87 145.58 34.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 122.319 1.057 . . . . 0.0 112.603 -176.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -31.75 -52.8 0.25 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.804 2.041 . . . . 0.0 112.593 159.247 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -67.94 -33.04 73.91 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.295 -1.503 . . . . 0.0 112.576 -179.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.88 -49.05 69.47 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.332 -0.855 . . . . 0.0 111.691 176.467 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.0 -41.79 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.917 -178.011 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.67 -39.72 88.27 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 118.272 -1.371 . . . . 0.0 112.234 174.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -52.77 -55.54 22.17 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 120.947 -1.096 . . . . 0.0 110.857 174.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -57.04 -67.21 0.34 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.008 1.323 . . . . 0.0 111.432 177.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.3 mt -48.15 -50.44 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 124.177 0.991 . . . . 0.0 111.586 -177.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.88 -45.53 82.47 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.871 -1.143 . . . . 0.0 112.071 -179.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.9 m -58.37 -55.12 39.07 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.227 -0.92 . . . . 0.0 111.599 170.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -54.37 -28.97 46.84 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.401 1.881 . . . . 0.0 112.241 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.2 ttt-85 -75.61 -41.51 54.17 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.213 -1.554 . . . . 0.0 112.293 176.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 m -63.57 -37.41 87.22 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.503 -1.373 . . . . 0.0 112.652 166.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -51.26 -59.61 4.02 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.075 0.852 . . . . 0.0 110.869 163.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -48.0 -48.18 32.78 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 177.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -47.51 -50.43 23.49 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.473 -0.767 . . . . 0.0 112.506 173.291 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.64 -41.51 75.52 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 176.295 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -56.59 -37.47 70.68 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.041 -1.662 . . . . 0.0 111.537 174.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -73.82 2.08 9.17 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.54 1.536 . . . . 0.0 113.779 174.031 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.68 -31.57 8.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.853 2.061 . . . . 0.0 112.508 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -50.91 141.89 12.71 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -175.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 122.33 8.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 129.309 3.044 . . . . 0.0 115.264 -178.79 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -117.53 122.91 44.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.142 0.977 . . . . 0.0 109.335 154.247 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.55 23.65 0.09 Allowed 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -178.095 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 65.75 -63.26 0.22 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.892 1.677 . . . . 0.0 113.148 -172.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.81 -74.47 0.61 Allowed Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.216 0.912 . . . . 0.0 112.202 -177.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.8 m -75.37 71.4 2.34 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.446 -1.032 . . . . 0.0 111.948 175.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.89 62.27 0.43 Allowed 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.489 -0.757 . . . . 0.0 111.05 170.605 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.469 ' HZ3' ' CD ' ' B' ' 102' ' ' GLU . 36.1 ttpt . . . . . 0 CA--C 1.537 0.459 0 C-N-CA 124.031 0.932 . . . . 0.0 111.762 -175.893 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 121.316 0.579 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 86.4 mtp -73.12 84.5 1.33 Allowed 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.336 -0.852 . . . . 0.0 112.884 -173.448 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.72 78.53 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.008 1.323 . . . . 0.0 114.052 175.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -30.1 108.28 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.308 2.643 . . . . 0.0 112.473 162.506 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 3.9 m 56.34 40.07 29.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.659 0.784 . . . . 0.0 111.73 175.16 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.334 4.0 p 53.71 151.98 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 128.487 2.715 . . . . 0.0 116.389 -171.371 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -61.81 125.13 22.76 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.69 -1.256 . . . . 0.0 111.548 -174.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 mp 61.68 68.19 0.72 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 122.454 1.121 . . . . 0.0 111.602 -169.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -176.36 4.52 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.903 0.881 . . . . 0.0 111.687 164.159 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.88 -58.27 4.1 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -171.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -42.22 81.26 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.212 -0.93 . . . . 0.0 112.259 -173.919 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -71.17 -30.84 66.93 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.66 -0.65 . . . . 0.0 111.897 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.32 -47.87 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 O-C-N 120.437 -1.414 . . . . 0.0 111.453 166.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.18 80.86 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 122.017 0.913 . . . . 0.0 111.548 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -43.6 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 O-C-N 121.169 -0.957 . . . . 0.0 112.069 -178.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.93 -38.47 4.7 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.727 0.811 . . . . 0.0 113.079 165.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.39 -48.59 40.31 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.753 -0.592 . . . . 0.0 110.763 177.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.81 -42.46 17.14 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 119.996 -1.69 . . . . 0.0 111.784 169.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . 0.439 ' CE1' HD12 ' A' ' 124' ' ' LEU . 45.9 m-85 -59.45 -58.01 10.47 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 171.524 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.17 -24.99 29.92 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -169.722 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -43.77 -42.9 5.78 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.268 1.509 . . . . 0.0 110.478 152.241 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -87.08 2.99 47.97 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 178.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.323 0.0 OUTLIER 52.67 41.99 31.51 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 129.485 3.114 . . . . 0.0 115.247 -168.449 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.17 104.63 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 O-C-N 120.594 -1.317 . . . . 0.0 111.673 175.127 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.79 104.36 1.65 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 169.342 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 35.7 mm -69.98 117.57 55.22 Favored Pre-proline 0 CA--C 1.54 0.596 0 O-C-N 120.839 -1.163 . . . . 0.0 109.943 168.003 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -64.6 126.08 16.12 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 N-CA-C 109.386 -1.044 . . . . 0.0 109.386 173.797 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 58.6 p -41.88 -32.87 0.46 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.586 1.954 . . . . 0.0 114.397 -178.352 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.24 -44.55 53.54 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.477 1.111 . . . . 0.0 113.101 174.333 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 20.8 mm -49.9 -51.2 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 O-C-N 120.997 -1.065 . . . . 0.0 111.407 168.316 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.02 -42.78 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.036 0.934 . . . . 0.0 110.278 -171.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.06 -40.5 58.45 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.219 2.208 . . . . 0.0 112.589 175.207 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.45 -75.03 0.16 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.787 1.235 . . . . 0.0 109.85 167.422 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.5 -61.41 0.81 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.585 1.954 . . . . 0.0 113.682 -165.327 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 69.6 t -42.02 -69.34 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.508 1.123 . . . . 0.0 112.378 -178.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -14.33 58.81 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -177.508 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -64.18 -64.3 0.92 Allowed 'General case' 0 C--O 1.235 0.316 0 O-C-N 120.945 -1.097 . . . . 0.0 110.388 176.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.59 -169.4 1.74 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.336 -0.853 . . . . 0.0 112.728 -168.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 66.94 155.86 0.1 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.645 1.578 . . . . 0.0 114.229 165.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -167.32 52.68 0.07 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.443 1.097 . . . . 0.0 110.072 171.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.4 t -160.89 125.61 3.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.395 1.078 . . . . 0.0 110.261 -177.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . 0.469 ' CD ' ' HZ3' ' A' ' 130' ' ' LYS . 2.9 mp0 -47.88 -56.43 7.55 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.887 2.475 . . . . 0.0 113.918 -164.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -63.62 -41.32 98.3 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.244 -0.91 . . . . 0.0 111.394 178.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -69.4 -36.43 76.74 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.173 -1.579 . . . . 0.0 109.972 -175.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.88 -39.07 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 117.554 -1.212 . . . . 0.0 111.919 166.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.273 0.6 OUTLIER -64.18 -40.16 95.51 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 121.824 2.102 . . . . 0.0 111.842 178.115 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -54.5 -56.96 13.5 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.174 0.989 . . . . 0.0 110.832 171.73 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.06 -54.53 43.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.982 0.913 . . . . 0.0 112.652 179.001 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 83.1 mt -54.87 -52.75 39.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 C-N-CA 124.372 1.069 . . . . 0.0 111.082 177.113 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.51 -36.76 67.06 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.658 -1.276 . . . . 0.0 112.122 176.863 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 29.2 m -62.76 -59.52 4.77 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.594 -0.691 . . . . 0.0 112.374 171.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.33 -40.83 78.79 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.661 -1.275 . . . . 0.0 112.516 178.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -59.02 -30.25 67.86 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.801 2.041 . . . . 0.0 111.555 170.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.293 93.8 m -78.91 -37.35 40.15 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 119.421 -2.05 . . . . 0.0 114.073 171.359 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -48.36 -62.16 1.63 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.248 0.931 . . . . 0.0 110.594 158.445 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -53.01 -44.48 67.32 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -52.64 -48.18 66.59 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.8 -1.187 . . . . 0.0 112.953 174.316 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.68 -45.77 50.48 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.834 0.826 . . . . 0.0 112.522 178.496 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -52.55 -46.4 66.79 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.047 -1.658 . . . . 0.0 111.9 173.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -74.36 6.94 3.19 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.655 1.582 . . . . 0.0 113.69 174.145 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -84.07 -33.68 24.36 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.191 1.396 . . . . 0.0 111.534 165.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -59.63 140.17 56.61 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.677 0.671 . . . . 0.0 111.994 172.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -121.28 125.84 48.05 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.58 1.952 . . . . 0.0 112.505 -165.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 104.17 3.63 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.067 -1.021 . . . . 0.0 110.474 174.749 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -78.97 -17.34 55.59 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.968 -1.082 . . . . 0.0 113.033 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 83.06 -49.83 0.16 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 150.378 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 107.04 61.59 0.58 Allowed Glycine 0 CA--C 1.534 1.234 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -162.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.9 t 70.59 179.45 0.24 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.269 1.428 . . . . 0.0 113.592 -170.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 58.9 mt 58.43 -175.12 0.08 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.028 1.331 . . . . 0.0 112.526 -173.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp . . . . . 0 CA--C 1.538 0.497 0 O-C-N 120.175 -1.578 . . . . 0.0 111.519 -175.162 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.3 p80 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.8 mmt -36.64 65.19 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 129.707 3.203 . . . . 0.0 118.889 -165.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.0 80.63 1.2 Allowed 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.22 -1.55 . . . . 0.0 112.446 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -66.32 64.76 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.308 1.843 . . . . 0.0 112.355 170.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.91 -86.99 0.61 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.614 1.566 . . . . 0.0 109.865 177.185 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.95 82.95 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 121.019 -1.051 . . . . 0.0 108.981 165.768 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.05 110.17 12.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.64 1.976 . . . . 0.0 110.814 -168.287 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.316 8.1 mp 79.36 64.12 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.714 2.005 . . . . 0.0 111.621 -173.223 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 t -81.83 -177.22 6.48 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.803 2.041 . . . . 0.0 112.376 166.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.59 -65.2 0.61 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -171.543 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -57.68 -52.36 65.74 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -177.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.02 -44.1 94.82 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.983 -1.073 . . . . 0.0 112.041 179.054 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.68 -43.97 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 120.746 -1.221 . . . . 0.0 112.168 172.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.28 -45.94 91.56 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.853 0.835 . . . . 0.0 110.902 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.5 t -74.29 -31.82 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 O-C-N 120.924 -1.11 . . . . 0.0 111.911 -179.494 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -37.6 29.5 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.825 -1.172 . . . . 0.0 113.007 165.555 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.5 -52.04 43.92 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.881 -0.512 . . . . 0.0 109.887 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.6 mt -55.5 -31.72 62.27 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.106 -0.996 . . . . 0.0 112.291 177.122 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -62.07 -64.88 0.79 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.464 -1.397 . . . . 0.0 113.131 167.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -69.01 -37.05 78.44 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 120.049 1.295 . . . . 0.0 112.069 -171.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -63.48 -20.08 65.28 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.25 -1.531 . . . . 0.0 113.242 167.205 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -87.87 -1.88 58.26 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 119.79 -1.819 . . . . 0.0 112.793 167.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 58.37 46.85 14.72 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.729 2.412 . . . . 0.0 112.516 -167.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.9 mt -109.73 106.29 20.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 125.191 1.396 . . . . 0.0 109.829 167.262 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 133.94 50.5 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.001 -0.679 . . . . 0.0 109.651 165.121 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.6 mm -98.29 128.52 33.07 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.902 0.881 . . . . 0.0 109.603 170.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.04 143.45 25.9 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.952 1.768 . . . . 0.0 109.278 171.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 m -48.77 -36.44 16.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 126.059 1.743 . . . . 0.0 112.066 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.98 -37.22 52.3 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.449 1.899 . . . . 0.0 114.169 175.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.3 mm -60.14 -51.04 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 119.646 -1.909 . . . . 0.0 109.671 168.597 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 63.0 mt -70.84 -27.16 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.824 0.85 . . . . 0.0 111.501 -172.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -47.87 -66.31 0.42 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.855 2.062 . . . . 0.0 110.272 167.531 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.55 -63.77 1.05 Allowed 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.812 1.645 . . . . 0.0 110.869 178.134 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -53.2 20.76 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -164.274 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.06 -45.89 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.205 1.002 . . . . 0.0 113.431 172.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -23.02 67.23 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.098 -1.001 . . . . 0.0 112.857 178.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -84.64 -50.01 8.04 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.938 0.895 . . . . 0.0 111.685 168.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . 0.26 8.9 ptp85 41.37 73.51 0.13 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 128.296 2.638 . . . . 0.0 114.721 -172.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.6 165.07 10.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.565 1.146 . . . . 0.0 112.186 178.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -77.53 -62.65 1.59 Allowed 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.682 -1.261 . . . . 0.0 110.711 -164.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.4 t -91.61 151.05 20.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 122.756 1.265 . . . . 0.0 113.987 -175.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -34.67 -45.94 0.27 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.717 2.407 . . . . 0.0 112.35 155.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -58.02 -48.68 79.32 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.858 -1.152 . . . . 0.0 112.185 174.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -65.73 -50.16 65.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.053 -0.404 . . . . 0.0 110.648 -177.278 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.4 m -64.07 -37.04 78.8 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.375 178.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.259 0.9 OUTLIER -67.49 -43.13 81.66 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 120.65 1.568 . . . . 0.0 111.782 178.065 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.251 11.4 p30 -69.74 -40.82 75.94 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.795 1.179 . . . . 0.0 112.051 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -58.12 -57.3 13.44 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.837 0.855 . . . . 0.0 112.059 172.66 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 81.2 mt -52.82 -50.22 43.81 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 121.189 -0.944 . . . . 0.0 111.06 176.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.07 -38.26 70.43 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.953 -1.092 . . . . 0.0 112.446 175.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.4 m -62.87 -57.28 11.39 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.491 -0.756 . . . . 0.0 112.492 171.569 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -60.83 -28.87 69.13 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.566 -1.333 . . . . 0.0 112.825 177.336 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -74.94 -20.86 59.5 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.587 1.955 . . . . 0.0 111.643 171.532 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.261 95.7 m -76.92 -43.72 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 119.905 -1.747 . . . . 0.0 112.745 164.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -45.46 -63.14 1.02 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.174 0.897 . . . . 0.0 110.449 159.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -55.13 -42.12 72.62 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -31.3 72.44 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 120.218 -1.551 . . . . 0.0 114.105 175.737 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.61 -47.39 22.49 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 122.551 1.167 . . . . 0.0 111.332 173.663 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -54.2 -51.65 63.74 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.552 1.541 . . . . 0.0 111.571 176.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -68.75 0.17 4.62 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.532 -1.355 . . . . 0.0 114.059 174.03 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.52 -31.75 24.27 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.363 1.465 . . . . 0.0 112.012 167.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -60.47 146.19 45.6 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.166 0.894 . . . . 0.0 112.145 172.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -124.59 131.18 53.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.798 2.039 . . . . 0.0 111.635 -165.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.0 tp -86.36 105.9 17.03 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.017 -1.052 . . . . 0.0 110.319 174.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -67.7 4.63 1.04 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.35 -1.469 . . . . 0.0 114.108 177.795 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 71.07 -68.39 0.22 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.267 1.827 . . . . 0.0 112.943 178.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.23 -72.38 0.21 Allowed Glycine 0 CA--C 1.537 1.457 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -168.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.9 m -67.15 71.89 0.1 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.461 1.504 . . . . 0.0 111.816 170.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.6 69.25 0.41 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.64 1.176 . . . . 0.0 112.026 178.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.7 tptm . . . . . 0 CA--C 1.542 0.644 0 O-C-N 121.169 -0.957 . . . . 0.0 111.851 176.638 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 61' ' ' HIS . . . . . 0.521 ' HE2' ' CD ' ' B' ' 92' ' ' GLU . 38.7 m170 . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 25.3 ttm -78.5 66.85 4.14 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 122.69 1.233 . . . . 0.0 110.126 174.046 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -160.17 -168.3 2.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.491 1.917 . . . . 0.0 110.028 -173.071 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -74.27 46.76 0.27 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.239 1.416 . . . . 0.0 113.114 177.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . 0.327 9.6 t 50.86 -60.53 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.98 2.512 . . . . 0.0 115.741 -162.815 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 63.0 t -62.09 128.71 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 O-C-N 120.715 -1.241 . . . . 0.0 111.142 172.734 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -51.82 170.81 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.508 1.923 . . . . 0.0 114.38 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp 64.09 101.08 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 169.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -124.89 178.11 5.67 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.212 2.605 . . . . 0.0 110.702 171.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.58 -65.07 0.16 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -167.163 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.8 p -65.04 -56.26 14.1 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -172.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 pm0 -62.89 -33.87 76.2 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.441 1.473 . . . . 0.0 112.262 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.77 -50.96 77.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 O-C-N 120.804 -1.185 . . . . 0.0 111.514 173.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.66 -38.45 69.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.968 1.366 . . . . 0.0 111.483 175.541 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 t -73.6 -33.15 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.794 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -30.66 65.2 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.135 -0.978 . . . . 0.0 112.988 169.004 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.5 -53.71 8.21 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.256 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.9 mt -49.92 -40.16 42.41 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.295 -0.878 . . . . 0.0 111.601 170.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -55.84 -54.95 38.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 120.801 -1.187 . . . . 0.0 113.264 171.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.265 23.4 mm-40 -73.78 -21.77 60.06 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.89 1.677 . . . . 0.0 113.361 -178.568 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -55.27 -40.12 70.62 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.111 -1.618 . . . . 0.0 111.693 157.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 23.7 p -82.1 6.76 15.34 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 171.179 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 50.36 53.2 13.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.816 2.046 . . . . 0.0 112.804 -169.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 36.1 mt -114.69 102.6 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 178.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -66.77 123.52 20.36 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 120.96 -1.088 . . . . 0.0 108.623 160.367 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 36.1 mm -88.52 129.06 50.56 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 124.404 1.082 . . . . 0.0 109.865 171.653 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -51.74 138.19 50.36 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.219 1.946 . . . . 0.0 112.587 172.144 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.5 t -50.34 -44.86 54.58 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.893 0.877 . . . . 0.0 111.581 176.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.88 -43.34 49.25 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.709 1.204 . . . . 0.0 113.738 173.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.9 mm -56.34 -56.63 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 120.949 -1.094 . . . . 0.0 110.264 172.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 60.1 mt -54.25 -44.69 66.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.735 0.814 . . . . 0.0 110.804 -176.495 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.521 ' CD ' ' HE2' ' B' ' 61' ' ' HIS . 24.0 tp10 -57.35 -59.84 4.53 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.973 174.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.11 -51.74 60.9 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.137 -0.977 . . . . 0.0 110.842 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.64 -49.26 57.36 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.472 0.709 . . . . 0.0 112.867 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.36 -30.85 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 124.073 0.949 . . . . 0.0 112.752 175.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.25 -55.4 10.65 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.847 -1.158 . . . . 0.0 112.27 168.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -65.35 -37.29 86.59 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -174.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 54.79 75.52 0.3 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.154 1.381 . . . . 0.0 114.181 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.07 154.54 29.34 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.434 -0.791 . . . . 0.0 109.696 161.554 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.66 -56.49 2.77 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -164.18 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 6.7 p -87.9 157.81 18.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.107 1.321 . . . . 0.0 113.928 178.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -44.09 -49.92 8.7 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.806 2.042 . . . . 0.0 111.7 174.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.55 -45.31 73.44 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.438 1.095 . . . . 0.0 111.984 -178.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -67.27 -48.72 66.87 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.703 0.401 . . . . 0.0 110.937 -176.186 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.78 -43.6 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.171 178.435 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.306 3.9 pp -65.4 -30.15 70.93 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.501 -1.374 . . . . 0.0 113.38 177.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.4 -60.06 3.86 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.692 -1.255 . . . . 0.0 111.804 171.634 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.93 -44.27 86.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.628 0.371 . . . . 0.0 111.205 -179.087 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 92.3 mt -58.6 -53.85 41.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.319 -0.863 . . . . 0.0 113.009 173.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.81 -39.03 65.17 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 121.229 1.831 . . . . 0.0 112.095 175.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 22.5 m -62.39 -62.58 1.65 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.004 0.922 . . . . 0.0 112.529 175.056 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -55.9 -35.75 66.91 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.664 1.186 . . . . 0.0 112.108 177.358 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 23.3 ttt-85 -65.37 -30.43 71.26 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 119.622 -1.924 . . . . 0.0 111.754 173.335 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.268 54.5 m -73.18 -36.73 66.64 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.694 -1.254 . . . . 0.0 114.111 168.522 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.48 -62.05 1.76 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.442 1.019 . . . . 0.0 110.565 159.373 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -50.33 -47.17 55.9 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -48.48 -55.05 12.0 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.853 -1.155 . . . . 0.0 113.073 171.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.3 -40.97 98.84 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.212 -0.93 . . . . 0.0 112.094 177.75 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -59.04 -35.54 73.49 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.566 -1.334 . . . . 0.0 112.213 175.115 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -72.81 -11.41 60.59 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 120.038 -1.664 . . . . 0.0 113.188 171.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -94.39 -43.37 8.41 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.069 1.747 . . . . 0.0 112.398 -174.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -43.74 145.6 0.65 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -176.277 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 134.14 56.75 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.019 1.728 . . . . 0.0 114.928 174.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.05 124.49 49.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.685 1.194 . . . . 0.0 109.243 154.585 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.31 26.85 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -179.857 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? 61.61 -63.22 0.09 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.809 2.044 . . . . 0.0 114.122 -173.17 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.58 -76.55 0.52 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.228 0.918 . . . . 0.0 112.854 -179.298 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 78.6 p -76.66 65.03 2.37 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.191 -1.182 . . . . 0.0 111.517 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.99 75.71 0.65 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.489 1.116 . . . . 0.0 111.639 -176.433 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 CA--C 1.538 0.495 0 C-N-CA 125.321 1.449 . . . . 0.0 111.462 177.321 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 120.65 0.262 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 t -61.38 162.37 7.97 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.549 -0.719 . . . . 0.0 110.762 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.81 80.93 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.725 -1.234 . . . . 0.0 113.147 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.5 p -65.95 -49.03 69.33 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.935 -1.103 . . . . 0.0 112.686 171.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -55.62 -55.12 35.83 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.335 -0.853 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.85 -41.41 79.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.888 1.275 . . . . 0.0 111.648 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.81 75.83 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 122.074 0.94 . . . . 0.0 111.572 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.551 HG12 ' CE2' ' A' ' 79' ' ' TYR . 19.1 t -74.22 -38.93 48.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 O-C-N 120.654 -1.279 . . . . 0.0 111.577 -176.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.37 -41.27 2.8 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.654 1.582 . . . . 0.0 113.175 165.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.96 -54.13 24.94 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.0 mt -48.96 -41.52 34.36 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.713 -0.617 . . . . 0.0 112.513 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' HG12 ' A' ' 75' ' ' VAL . 54.6 m-85 -57.28 -65.18 0.67 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.921 1.237 . . . . 0.0 112.93 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.28 -41.19 98.98 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.425 0.557 . . . . 0.0 110.05 -171.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -61.03 -37.19 81.73 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.418 -1.426 . . . . 0.0 113.271 168.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.6 m -65.25 -8.47 17.87 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 119.58 -1.95 . . . . 0.0 113.471 168.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 73.66 23.94 2.29 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 129.162 2.985 . . . . 0.0 112.835 -172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mp -93.54 100.75 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.43 131.95 46.18 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.229 171.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.5 mm -92.16 129.7 40.56 Favored Pre-proline 0 CA--C 1.548 0.88 0 O-C-N 121.821 -0.549 . . . . 0.0 111.268 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -58.63 124.23 15.32 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.328 2.019 . . . . 0.0 110.423 165.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.2 p -49.82 -37.79 31.96 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.09 -54.21 3.67 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.509 1.123 . . . . 0.0 113.665 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 pt -73.95 -20.75 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 120.428 -1.42 . . . . 0.0 113.67 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.61 -45.95 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.89 1.223 . . . . 0.0 109.44 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.85 -49.0 59.92 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.986 1.714 . . . . 0.0 111.564 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.41 -61.69 2.41 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.304 1.042 . . . . 0.0 110.733 171.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.17 -50.43 58.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.553 0.741 . . . . 0.0 112.233 -171.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.07 -38.37 29.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.026 1.33 . . . . 0.0 112.689 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -46.06 68.52 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.569 1.148 . . . . 0.0 112.33 173.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -58.64 -41.84 86.93 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.268 0.556 . . . . 0.0 112.032 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 58.18 69.39 0.74 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.468 1.507 . . . . 0.0 114.314 170.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.6 mt -78.54 175.58 10.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.412 1.085 . . . . 0.0 112.447 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -94.1 -49.85 5.57 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.792 1.237 . . . . 0.0 112.058 -173.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.5 t -124.14 152.39 42.86 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -164.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -40.71 -48.35 2.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 129.276 3.03 . . . . 0.0 112.021 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -63.42 -42.84 98.74 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.518 -0.739 . . . . 0.0 112.755 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -64.72 -46.49 82.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.314 -0.866 . . . . 0.0 111.008 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.68 -44.84 93.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 O-C-N 121.909 -0.495 . . . . 0.0 110.277 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.519 ' HB3' HG11 ' A' ' 75' ' ' VAL . 2.8 pp -64.67 -31.6 72.89 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 120.783 -1.198 . . . . 0.0 112.46 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.39 -61.25 2.22 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.69 1.132 . . . . 0.0 110.476 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -50.31 -58.81 4.82 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.842 1.257 . . . . 0.0 111.273 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.405 HD13 ' CE2' ' A' ' 79' ' ' TYR . 77.5 mt -51.49 -49.09 34.02 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 O-C-N 121.637 -0.664 . . . . 0.0 111.438 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.34 -42.92 99.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 120.635 1.561 . . . . 0.0 113.012 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.1 p -59.61 -51.76 68.45 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.43 -0.794 . . . . 0.0 111.572 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.34 -32.92 73.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 123.16 1.457 . . . . 0.0 112.374 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -70.4 -19.36 63.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.433 -2.042 . . . . 0.0 112.361 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.7 m -90.07 -37.49 14.23 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.094 -1.629 . . . . 0.0 113.077 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -44.86 -54.47 6.38 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.144 0.884 . . . . 0.0 110.149 154.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.432 ' HA ' ' CE3' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -53.64 -50.25 66.14 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 178.33 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -49.45 -48.26 47.66 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.976 -1.078 . . . . 0.0 113.015 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.3 mt -58.62 -55.08 39.67 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.16 0.891 . . . . 0.0 112.603 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -64.02 -17.23 63.14 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.231 -1.543 . . . . 0.0 113.942 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -84.39 -18.17 36.96 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 119.77 -1.831 . . . . 0.0 112.757 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -99.1 -50.06 4.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.095 2.158 . . . . 0.0 112.799 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -49.14 146.91 3.25 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -167.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -42.66 109.71 0.15 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 129.179 2.992 . . . . 0.0 114.85 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 18.5 tp -103.29 118.74 37.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.814 1.188 . . . . 0.0 109.554 142.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.74 28.93 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 CA--C 1.543 0.711 0 C-N-CA 126.746 2.018 . . . . 0.0 114.116 -177.684 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.291 6.8 mp . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 123.608 1.67 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.94 173.47 7.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 128.32 2.648 . . . . 0.0 111.155 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.52 -66.01 0.14 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.0 p -59.5 -58.37 8.89 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -63.01 -33.5 75.56 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.543 -1.348 . . . . 0.0 112.504 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.59 -49.95 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 121.214 -0.929 . . . . 0.0 111.323 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.12 69.64 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 122.324 1.059 . . . . 0.0 111.224 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.75 -37.03 54.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.624 -0.672 . . . . 0.0 112.66 176.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.57 -36.17 77.85 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 167.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.58 -51.14 53.93 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 53.9 mt -47.42 -50.85 21.72 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.0 -1.063 . . . . 0.0 112.27 170.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -47.14 -54.37 10.75 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.826 1.194 . . . . 0.0 112.783 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.251 6.8 mm-40 -83.73 -27.11 29.18 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -171.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -48.27 -46.43 35.82 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.286 -1.509 . . . . 0.0 109.636 154.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.77 -12.51 60.42 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.401 0.1 OUTLIER 63.87 51.41 2.36 Favored 'General case' 0 CA--C 1.546 0.81 1 C-N-CA 132.294 4.237 . . . . 0.0 116.066 -169.717 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.11 105.83 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.168 1.387 . . . . 0.0 111.331 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.49 130.03 40.8 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.076 -1.015 . . . . 0.0 110.372 171.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 31.8 mm -93.94 132.62 29.21 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 120.912 -1.118 . . . . 0.0 111.583 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -62.76 131.11 31.84 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.674 2.249 . . . . 0.0 110.936 166.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 34.6 p -41.0 -48.29 3.18 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.344 1.058 . . . . 0.0 111.686 167.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.07 -48.03 1.61 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 173.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 22.2 mm -51.98 -53.42 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 121.484 -0.76 . . . . 0.0 110.581 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -68.95 -46.04 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.201 1.0 . . . . 0.0 110.555 -172.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.26 -26.97 31.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 128.317 2.647 . . . . 0.0 113.975 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -84.58 -74.92 0.37 Allowed 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.553 1.141 . . . . 0.0 110.336 163.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.454 HD23 ' CD1' ' B' ' 108' ' ' TYR . 0.8 OUTLIER -40.74 -55.78 2.33 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 127.484 2.314 . . . . 0.0 113.469 -169.671 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -17.08 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -172.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -77.46 -52.51 8.98 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.029 -1.044 . . . . 0.0 112.151 168.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -59.88 -28.49 67.59 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.352 1.061 . . . . 0.0 113.282 -168.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER 57.33 107.54 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.727 2.011 . . . . 0.0 115.539 177.228 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 72.6 mt -107.52 171.75 7.21 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.745 -1.222 . . . . 0.0 112.108 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -74.22 -39.37 63.14 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -158.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 9.4 t -171.22 -178.83 2.5 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.9 1.28 . . . . 0.0 109.603 -165.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -65.02 -51.44 61.55 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.216 1.406 . . . . 0.0 112.025 -159.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -58.42 -34.09 70.4 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.029 -1.044 . . . . 0.0 111.922 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -72.87 -40.22 65.8 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.716 1.206 . . . . 0.0 110.79 -173.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.49 -47.01 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.538 166.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.259 1.2 pp -63.69 -34.31 77.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.38 1.445 . . . . 0.0 112.422 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.9 -57.96 9.03 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.92 0.888 . . . . 0.0 110.459 170.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' TYR . . . . . 0.454 ' CD1' HD23 ' B' ' 94' ' ' LEU . 52.7 t80 -58.2 -54.1 50.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.085 0.554 . . . . 0.0 112.311 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 93.5 mt -51.47 -54.14 13.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 123.558 0.743 . . . . 0.0 111.213 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -55.25 -36.66 66.29 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.075 -1.015 . . . . 0.0 112.6 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 39.3 m -63.28 -59.84 4.19 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.577 -0.702 . . . . 0.0 112.415 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.39 -34.76 72.83 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-O 122.644 1.212 . . . . 0.0 112.258 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -63.17 -36.55 84.0 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.309 1.844 . . . . 0.0 111.468 170.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 58.4 m -69.38 -41.85 75.95 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 120.975 -1.078 . . . . 0.0 113.35 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -48.07 -55.9 9.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.563 0.62 . . . . 0.0 110.717 160.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -54.65 -42.04 70.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.281 15.4 pttm -62.11 -51.68 66.94 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.326 1.875 . . . . 0.0 113.605 171.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.69 -31.06 71.85 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.947 1.248 . . . . 0.0 112.412 -175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -62.7 -53.97 46.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.321 1.448 . . . . 0.0 111.488 168.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.2 -3.85 22.42 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 120.249 -1.532 . . . . 0.0 114.732 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.31 -40.01 58.92 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.312 2.245 . . . . 0.0 113.039 162.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -56.35 152.62 10.95 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -168.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 103.69 14.04 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 -172.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 79' ' ' TYR . 15.5 tp -87.25 112.9 22.49 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.288 -1.508 . . . . 0.0 108.829 154.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -70.67 29.85 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.99 1.716 . . . . 0.0 114.843 -175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 125.814 1.646 . . . . 0.0 114.33 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 CA--C 1.539 0.555 0 CA-C-O 123.156 1.455 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -71.84 167.93 18.96 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.887 1.275 . . . . 0.0 112.177 166.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.59 -49.25 14.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.808 1.243 . . . . 0.0 113.671 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.41 -66.2 0.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -61.28 -31.24 71.07 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 120.278 -1.514 . . . . 0.0 112.287 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.98 -48.63 87.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 119.054 0.843 . . . . 0.0 111.037 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.45 79.86 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 122.074 0.94 . . . . 0.0 111.768 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 79' ' ' TYR . 8.0 t -73.26 -34.92 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 O-C-N 120.721 -1.237 . . . . 0.0 112.16 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.31 -36.8 81.09 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.938 1.695 . . . . 0.0 113.706 172.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.15 -56.58 17.4 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.78 -33.39 70.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.542 ' CE2' HG12 ' A' ' 75' ' ' VAL . 13.6 m-85 -56.29 -53.64 54.9 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 120.957 -1.089 . . . . 0.0 111.249 170.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -72.44 -27.84 62.57 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.905 1.229 . . . . 0.0 112.94 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -56.65 -38.35 72.03 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.08 -1.638 . . . . 0.0 111.915 161.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.0 p -81.23 5.43 17.08 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.956 -1.09 . . . . 0.0 113.868 170.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 47.38 54.25 9.82 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.788 2.035 . . . . 0.0 112.498 -171.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.554 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 17.8 mt -113.15 109.0 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 125.986 1.714 . . . . 0.0 111.949 175.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -68.45 125.77 27.51 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.092 -1.005 . . . . 0.0 108.522 161.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.6 mm -84.68 127.16 66.49 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 120.811 -1.181 . . . . 0.0 109.111 166.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -52.28 134.05 49.74 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 121.206 1.271 . . . . 0.0 111.314 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.5 m -44.69 -44.36 9.06 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 124.871 1.268 . . . . 0.0 110.219 165.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.26 12.24 0.09 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.33 1.852 . . . . 0.0 115.463 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.9 mm -101.52 -54.27 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.214 -1.553 . . . . 0.0 108.432 157.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.29 -40.74 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 125.443 1.497 . . . . 0.0 110.518 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -30.07 -68.58 0.07 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.006 2.123 . . . . 0.0 112.845 164.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.76 -51.21 17.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.735 1.214 . . . . 0.0 112.134 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.37 -49.78 12.77 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.91 1.284 . . . . 0.0 112.641 -170.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.7 t -53.52 -39.41 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.978 0.911 . . . . 0.0 113.21 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -77.8 -48.81 15.65 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.537 1.135 . . . . 0.0 112.488 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -56.52 -31.81 64.48 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.506 0.669 . . . . 0.0 111.284 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? 60.58 52.01 4.78 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.741 1.216 . . . . 0.0 112.465 157.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.48 165.92 17.97 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.387 -0.821 . . . . 0.0 111.018 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -101.55 -47.51 4.63 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -162.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.1 p -108.96 164.6 12.26 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.659 1.183 . . . . 0.0 113.273 -175.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -49.44 -41.14 39.18 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 170.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -61.03 -43.29 99.1 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 121.402 -0.811 . . . . 0.0 112.41 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -68.22 -51.95 39.68 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.751 0.31 . . . . 0.0 110.93 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.527 HG23 HG21 ' A' ' 75' ' ' VAL . 14.1 m -64.9 -39.51 85.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.284 -177.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.18 -44.39 92.18 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 120.196 1.362 . . . . 0.0 111.731 177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -71.57 -43.53 66.17 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 118.04 -1.464 . . . . 0.0 111.923 -176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -61.34 -51.12 70.16 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.832 -0.543 . . . . 0.0 111.517 174.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 80.2 mt -53.82 -54.39 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 O-C-N 121.255 -0.903 . . . . 0.0 112.003 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' B' ' 123' ' ' LYS . 38.1 mt-10 -59.5 -38.67 81.51 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.165 -1.585 . . . . 0.0 112.687 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.5 m -58.03 -58.03 10.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.287 -0.883 . . . . 0.0 112.148 171.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -54.98 -39.57 69.13 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.167 -0.958 . . . . 0.0 112.185 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.554 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 23.2 ttt-85 -61.95 -27.83 69.11 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 119.984 -1.697 . . . . 0.0 111.499 175.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.265 89.0 m -78.57 -34.96 46.56 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 167.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -59.36 3.95 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.318 1.417 . . . . 0.0 110.041 159.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -52.69 -47.45 67.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -45.06 -48.56 11.8 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.74 -1.225 . . . . 0.0 112.808 169.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.95 -42.85 84.51 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.206 -0.934 . . . . 0.0 112.874 174.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.48 -15.26 62.47 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.042 -1.662 . . . . 0.0 113.489 171.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -84.93 -2.94 58.47 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 119.516 -1.99 . . . . 0.0 113.198 167.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -116.94 -45.53 2.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.482 1.913 . . . . 0.0 112.301 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -52.11 148.86 5.75 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -42.44 100.1 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.198 2.999 . . . . 0.0 114.908 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.656 HD12 ' CD1' ' B' ' 79' ' ' TYR . 4.4 tt -80.56 116.68 20.72 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.813 1.642 . . . . 0.0 107.182 141.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' TYR . . . . . 0.437 ' N ' HD23 ' A' ' 124' ' ' LEU . 0.1 OUTLIER -72.2 36.54 0.07 Allowed 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.117 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 127.011 2.125 . . . . 0.0 113.649 -168.024 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 CA--C 1.544 0.742 0 CA-C-O 123.194 1.473 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -78.44 -176.53 4.81 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.409 1.1 . . . . 0.0 112.455 169.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.11 -58.39 7.19 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.839 1.256 . . . . 0.0 114.384 -168.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.8 p -62.5 -50.04 72.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -63.91 -41.56 97.64 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.115 -0.991 . . . . 0.0 111.77 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.4 -45.31 99.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 O-C-N 121.051 -1.031 . . . . 0.0 111.509 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.67 89.5 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 122.174 0.988 . . . . 0.0 110.947 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.05 -35.96 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 O-C-N 121.404 -0.81 . . . . 0.0 111.851 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -48.12 77.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.515 1.126 . . . . 0.0 112.094 172.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.11 -48.32 82.02 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.705 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.88 -29.48 68.35 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.18 -0.95 . . . . 0.0 112.818 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.656 ' CD1' HD12 ' A' ' 124' ' ' LEU . 58.6 m-85 -58.32 -56.5 21.29 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 120.779 1.627 . . . . 0.0 112.277 165.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -73.58 -39.51 64.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.695 1.134 . . . . 0.0 113.235 -173.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -57.89 -24.11 56.2 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.089 -1.632 . . . . 0.0 112.529 164.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.4 m -82.24 -15.77 51.9 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.088 -1.633 . . . . 0.0 115.401 166.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ASN . . . . . 0.442 ' C ' HD12 ' B' ' 84' ' ' ILE . 16.3 t-20 80.53 44.53 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 130.49 3.516 . . . . 0.0 113.363 -173.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.442 HD12 ' C ' ' B' ' 83' ' ' ASN . 2.1 mp -126.76 125.76 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 126.324 1.849 . . . . 0.0 108.603 173.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.49 155.16 23.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.917 1.235 . . . . 0.0 109.78 161.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 8.6 mm -105.7 130.26 23.33 Favored Pre-proline 0 N--CA 1.469 0.513 0 O-C-N 120.72 -1.238 . . . . 0.0 110.344 170.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -56.44 126.99 24.13 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.799 1.666 . . . . 0.0 111.061 171.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 87.6 p -49.66 -35.87 22.86 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.248 0.619 . . . . 0.0 111.189 171.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -52.51 -18.8 1.86 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 pt -106.01 -24.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.367 -1.458 . . . . 0.0 112.442 173.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.4 mt -63.24 -38.21 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 O-C-N 121.049 -1.032 . . . . 0.0 110.268 164.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -35.82 -52.12 0.71 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.398 2.679 . . . . 0.0 112.649 170.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.75 -65.19 1.02 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.874 2.07 . . . . 0.0 111.146 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.545 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.1 tm? -52.02 -43.93 63.92 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.619 1.168 . . . . 0.0 113.48 -166.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -12.61 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -177.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.73 -46.99 10.19 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.207 -0.933 . . . . 0.0 110.982 162.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -49.14 -46.27 44.93 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.147 0.979 . . . . 0.0 112.448 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 50.92 76.19 0.16 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.388 1.075 . . . . 0.0 112.608 169.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.82 164.21 22.87 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.246 1.018 . . . . 0.0 110.197 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -75.21 -62.38 1.58 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.845 -1.159 . . . . 0.0 110.707 -172.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 48.0 t -92.92 151.56 19.87 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -34.87 -46.26 0.3 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.001 2.52 . . . . 0.0 111.51 156.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -60.7 -48.89 79.75 Favored 'General case' 0 C--O 1.223 -0.312 0 O-C-N 121.316 -0.865 . . . . 0.0 111.467 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.37 -48.06 79.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.204 -0.935 . . . . 0.0 111.139 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 25.9 m -66.46 -38.84 82.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.823 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.82 -39.27 87.64 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.903 1.683 . . . . 0.0 111.534 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.0 -54.63 44.71 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.3 0.954 . . . . 0.0 110.349 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' TYR . . . . . 0.545 ' CD2' HD23 ' B' ' 94' ' ' LEU . 45.7 t80 -60.14 -55.45 33.72 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.262 1.025 . . . . 0.0 112.059 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.2 mt -54.31 -47.61 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.779 0.832 . . . . 0.0 111.744 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.81 -36.83 75.12 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 120.311 -1.493 . . . . 0.0 112.117 174.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 39.5 m -63.83 -55.27 24.14 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.007 -1.058 . . . . 0.0 112.606 172.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -51.87 -45.24 64.03 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 123.31 1.529 . . . . 0.0 112.124 171.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -62.26 -21.34 65.12 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 119.627 -1.921 . . . . 0.0 111.659 173.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.272 63.4 m -80.8 -38.46 28.41 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 119.343 -2.098 . . . . 0.0 114.101 165.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.9 -57.44 4.35 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.784 1.174 . . . . 0.0 110.556 158.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -57.53 -39.12 75.89 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -55.68 -50.21 70.87 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.44 -1.412 . . . . 0.0 112.595 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.68 -49.64 75.69 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.251 0.932 . . . . 0.0 111.503 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -51.83 -55.59 19.07 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.777 -1.202 . . . . 0.0 112.155 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -70.49 -4.22 21.75 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.69 -1.256 . . . . 0.0 113.782 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -84.78 -26.49 27.51 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.725 1.61 . . . . 0.0 112.887 163.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.74 140.47 58.74 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.343 1.429 . . . . 0.0 111.32 168.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 110' ' ' GLU . 8.7 tmtm? -116.56 128.7 55.66 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.08 1.752 . . . . 0.0 111.235 -175.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 79' ' ' TYR . 21.9 tp -77.29 93.01 3.94 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.716 -1.24 . . . . 0.0 110.563 175.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -67.64 -10.65 54.06 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.568 -1.333 . . . . 0.0 113.948 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 . . . . . 0 CA--C 1.534 0.334 0 C-N-CA 126.669 1.988 . . . . 0.0 115.796 172.496 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 122.856 1.312 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -74.6 168.69 19.29 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.801 1.24 . . . . 0.0 111.56 165.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.46 -54.66 3.77 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.0 p -59.92 -57.45 12.82 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.2 pm0 -63.11 -32.62 74.04 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.523 -1.361 . . . . 0.0 112.324 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.39 -48.6 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 120.853 -1.154 . . . . 0.0 111.747 172.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.87 -37.64 66.51 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 122.245 1.022 . . . . 0.0 111.28 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.26 57.4 t -80.33 -37.21 16.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.75 -45.77 14.72 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.773 -1.205 . . . . 0.0 113.59 161.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -70.41 -45.69 65.42 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.767 -0.583 . . . . 0.0 110.135 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.5 mt -47.78 -38.1 14.96 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.087 -1.633 . . . . 0.0 112.692 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CE1' HD12 ' B' ' 124' ' ' LEU . 37.1 m-85 -59.01 -59.64 5.14 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.676 -1.265 . . . . 0.0 113.657 168.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -84.63 -26.33 27.93 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -168.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -44.15 -49.19 9.12 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 123.014 1.388 . . . . 0.0 109.85 152.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 t -82.63 -0.68 48.23 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.16 38.25 1.96 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.359 2.664 . . . . 0.0 112.455 173.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.4 mt -103.06 113.19 39.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 125.953 1.701 . . . . 0.0 112.588 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -67.14 132.21 47.37 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.146 -0.971 . . . . 0.0 110.154 162.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mm -95.11 123.51 56.96 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 123.909 0.884 . . . . 0.0 109.723 167.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -67.94 104.39 1.0 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 N-CA-C 108.36 -1.439 . . . . 0.0 108.36 168.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -42.99 -22.65 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.148 2.579 . . . . 0.0 117.107 -168.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -43.86 -50.59 7.9 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.53 1.059 . . . . 0.0 112.403 165.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 mm -38.02 -54.71 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.035 1.334 . . . . 0.0 111.674 166.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.4 mt -73.04 -45.7 53.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 124.384 1.074 . . . . 0.0 110.085 -171.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -48.51 -57.49 6.07 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.036 0.935 . . . . 0.0 111.319 173.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -59.25 -56.54 20.86 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.868 0.842 . . . . 0.0 110.686 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.9 OUTLIER -55.69 -47.56 76.56 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.146 -0.972 . . . . 0.0 112.263 -175.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.51 -48.35 58.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.439 1.096 . . . . 0.0 112.031 169.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -56.59 -37.38 70.55 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.001 0.819 . . . . 0.0 113.025 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -79.11 -63.96 1.29 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.3 113.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.789 2.436 . . . . 0.0 114.322 -166.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -92.86 179.23 5.52 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.113 0.965 . . . . 0.0 109.378 158.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -81.72 -46.97 13.52 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.22 -0.925 . . . . 0.0 112.636 -167.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 t -129.5 160.19 33.96 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -170.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -36.39 -51.51 0.81 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.781 2.433 . . . . 0.0 113.338 171.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.95 -39.86 87.0 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.022 -1.048 . . . . 0.0 112.418 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.89 -47.61 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.89 -0.506 . . . . 0.0 110.503 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.1 m -65.72 -36.15 76.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.073 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.1 pp -63.78 -39.99 95.59 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.389 1.449 . . . . 0.0 111.059 173.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -57.81 -54.57 45.36 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.188 0.903 . . . . 0.0 111.647 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.425 ' CD1' HD23 ' A' ' 94' ' ' LEU . 43.1 t80 -56.22 -58.71 6.8 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.304 1.041 . . . . 0.0 112.02 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -50.82 -52.11 18.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 123.843 0.857 . . . . 0.0 110.737 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.71 -40.28 75.37 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 120.672 -1.267 . . . . 0.0 112.46 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 35.1 m -60.58 -55.13 37.07 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.218 -0.926 . . . . 0.0 112.225 171.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.17 -32.89 73.57 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.127 1.371 . . . . 0.0 112.313 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -67.24 -24.42 65.81 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.046 2.538 . . . . 0.0 111.061 169.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.259 88.1 m -83.47 -38.09 22.3 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 119.253 -2.154 . . . . 0.0 113.741 169.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -48.8 -57.08 6.93 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.36 0.982 . . . . 0.0 111.016 160.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -54.66 -41.22 69.88 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -53.65 -47.09 70.67 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.783 -1.823 . . . . 0.0 113.066 167.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -49.03 79.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.126 0.57 . . . . 0.0 110.799 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -54.1 -41.66 68.55 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 120.356 -1.465 . . . . 0.0 112.719 171.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -72.55 -11.77 60.79 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.618 -1.301 . . . . 0.0 113.179 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -48.18 6.51 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.112 1.765 . . . . 0.0 112.286 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -31.56 130.98 0.12 Allowed 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -173.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -46.66 132.68 10.92 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.119 1.768 . . . . 0.0 114.904 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -124.83 123.13 39.29 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.266 1.426 . . . . 0.0 108.907 158.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -74.49 25.6 0.08 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 126.473 1.909 . . . . 0.0 114.582 -179.532 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 122.053 0.93 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.1 t -103.95 -175.96 2.95 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.259 -0.901 . . . . 0.0 112.124 167.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.74 -67.89 0.19 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -163.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 85.8 m -61.22 -52.24 65.62 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.378 -0.827 . . . . 0.0 112.579 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -61.88 -38.8 89.68 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.667 -1.27 . . . . 0.0 112.426 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.0 -47.19 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 O-C-N 120.951 -1.093 . . . . 0.0 111.308 169.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.3 64.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.199 1.0 . . . . 0.0 111.666 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.43 -39.37 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 O-C-N 121.44 -0.787 . . . . 0.0 112.777 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -51.95 -41.1 61.8 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 164.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.08 -48.26 66.03 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 23.0 mt -47.18 -40.33 15.72 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 119.895 -1.753 . . . . 0.0 112.953 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 124' ' ' LEU . 26.7 m-85 -57.28 -62.11 2.0 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.514 -1.366 . . . . 0.0 113.485 169.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -82.07 -29.02 32.07 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.027 1.285 . . . . 0.0 114.176 -168.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -42.85 -55.25 3.77 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 122.926 1.346 . . . . 0.0 109.754 156.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 13.8 t -64.15 -47.7 78.88 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.773 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 124.14 34.87 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 131.643 3.977 . . . . 0.0 113.791 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 94.6 mt -105.49 115.7 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.817 1.647 . . . . 0.0 113.87 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -75.9 133.71 40.46 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.23 -0.919 . . . . 0.0 111.254 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 7.8 mm -103.61 134.52 19.7 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.283 1.433 . . . . 0.0 111.266 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -78.66 98.32 1.19 Allowed 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.274 1.982 . . . . 0.0 110.045 170.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -26.94 -41.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 128.867 2.867 . . . . 0.0 118.093 -174.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -32.18 -55.14 0.32 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.31 1.444 . . . . 0.0 113.851 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 25.2 pt -64.7 -36.01 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 120.988 -1.07 . . . . 0.0 113.152 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 47.4 mt -60.65 -47.22 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 O-C-N 121.288 -0.883 . . . . 0.0 110.238 172.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -57.58 -60.59 3.44 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.947 0.404 . . . . 0.0 111.031 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.15 -44.42 83.4 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.812 -1.18 . . . . 0.0 110.704 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.2 tm? -54.98 -43.79 73.84 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.132 -0.98 . . . . 0.0 112.199 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.2 t -57.24 -47.75 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 O-C-N 120.746 -1.221 . . . . 0.0 113.121 167.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -55.31 -48.69 73.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.263 0.938 . . . . 0.0 112.954 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -68.59 -56.83 6.95 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 120.302 -1.499 . . . . 0.0 111.608 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 69.13 72.63 0.26 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.84 2.856 . . . . 0.0 115.058 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.98 156.7 30.42 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.4 -0.813 . . . . 0.0 111.059 163.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -87.18 -65.89 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 120.971 -1.081 . . . . 0.0 111.925 -158.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 14.9 t -88.25 156.93 18.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.111 0.958 . . . . 0.0 113.492 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 1.9 mp0 -42.82 -46.95 5.42 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.459 1.904 . . . . 0.0 111.694 173.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -61.06 -44.07 97.93 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.329 -0.857 . . . . 0.0 111.868 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -64.8 -49.47 70.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.463 -0.773 . . . . 0.0 110.947 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.0 m -65.66 -40.08 86.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.384 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.291 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.269 1.3 pp -64.34 -39.98 94.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.105 1.32 . . . . 0.0 111.638 174.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.39 -53.77 53.49 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.721 1.146 . . . . 0.0 110.831 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' TYR . . . . . 0.53 ' CD2' HD23 ' B' ' 94' ' ' LEU . 53.2 t80 -59.04 -59.68 5.08 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.835 1.254 . . . . 0.0 112.431 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.4 -51.15 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.026 0.93 . . . . 0.0 110.695 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.51 -40.11 74.47 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.586 -1.321 . . . . 0.0 112.765 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.8 m -61.14 -55.45 32.25 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.447 -0.783 . . . . 0.0 111.941 171.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.33 -44.76 95.19 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.727 -1.233 . . . . 0.0 113.033 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -48.85 -35.95 15.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.397 1.879 . . . . 0.0 111.645 166.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.261 95.8 m -75.46 -35.55 60.85 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.23 -1.544 . . . . 0.0 114.28 171.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -50.27 -60.65 2.77 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.593 1.088 . . . . 0.0 111.02 159.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -52.42 -42.03 63.74 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.627 1.103 . . . . 0.0 112.979 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -52.47 -51.29 60.08 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.211 -0.931 . . . . 0.0 112.045 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.36 -39.1 74.84 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -52.02 -45.56 64.63 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.691 1.596 . . . . 0.0 111.175 170.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -73.3 -5.25 38.33 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.513 -1.367 . . . . 0.0 113.545 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -101.93 -32.99 9.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.749 2.02 . . . . 0.0 112.274 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -38.23 132.63 1.03 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.233 1.413 . . . . 0.0 113.954 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.21 130.37 10.36 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.782 2.033 . . . . 0.0 114.413 173.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -121.8 119.19 30.96 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.126 0.97 . . . . 0.0 108.392 155.737 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -69.94 24.94 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 126.655 1.982 . . . . 0.0 113.209 -172.532 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 CA--C 1.542 0.672 0 CA-C-O 121.716 0.77 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -86.13 168.65 13.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.401 1.48 . . . . 0.0 111.435 171.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.51 -54.88 1.47 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 99.2 m -59.09 -65.85 0.6 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.715 1.206 . . . . 0.0 113.541 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 pm0 -56.88 -36.59 70.28 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.158 -1.588 . . . . 0.0 112.318 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.2 t -61.33 -42.94 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 O-C-N 121.589 -0.694 . . . . 0.0 111.577 171.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.94 -44.8 94.16 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.182 0.993 . . . . 0.0 111.04 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.496 HG12 ' CE2' ' A' ' 79' ' ' TYR . 15.1 t -70.19 -35.38 62.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.58 -1.325 . . . . 0.0 111.312 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 mt -56.45 -36.07 68.6 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 167.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -50.53 68.6 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.578 -0.701 . . . . 0.0 109.609 172.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.2 mt -53.71 -43.37 68.96 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.558 -1.339 . . . . 0.0 111.776 174.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.496 ' CE2' HG12 ' A' ' 75' ' ' VAL . 22.1 m-85 -54.68 -60.96 2.65 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.926 0.89 . . . . 0.0 112.154 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -75.82 -33.88 60.11 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.032 0.833 . . . . 0.0 112.602 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -50.89 -48.56 60.34 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.357 -1.464 . . . . 0.0 110.974 162.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.406 ' HB3' HD13 ' A' ' 84' ' ' ILE . 27.7 m -71.15 -11.35 60.89 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 69.8 42.36 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.311 2.645 . . . . 0.0 111.824 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.406 HD13 ' HB3' ' A' ' 82' ' ' SER . 1.7 mp -111.38 109.27 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 127.059 2.144 . . . . 0.0 107.822 174.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -66.98 155.1 39.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 118.16 -1.416 . . . . 0.0 111.672 162.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.7 mm -110.46 131.88 21.83 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.511 1.524 . . . . 0.0 108.698 167.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.58 133.02 53.91 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 122.728 2.285 . . . . 0.0 111.802 168.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 p -47.74 -43.76 27.39 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.304 1.041 . . . . 0.0 113.366 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -40.03 -61.92 0.8 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.607 1.163 . . . . 0.0 114.124 172.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.256 8.1 pt -67.13 -28.58 43.17 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 120.328 -1.482 . . . . 0.0 113.425 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.66 -47.79 87.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 119.972 1.26 . . . . 0.0 110.012 168.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -58.26 -57.81 11.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.277 0.631 . . . . 0.0 111.176 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -52.35 -53.26 46.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.794 0.838 . . . . 0.0 110.743 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 94' ' ' LEU . 1.3 tm? -51.23 -60.53 3.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.088 0.955 . . . . 0.0 111.474 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 71.1 t -52.85 -39.79 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.179 0.592 . . . . 0.0 111.465 174.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -41.82 97.05 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -63.06 -39.2 94.01 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.296 0.953 . . . . 0.0 110.509 167.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.16 53.73 1.3 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.034 1.334 . . . . 0.0 111.561 173.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.93 167.84 1.47 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.15 0.98 . . . . 0.0 112.79 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -87.2 -55.91 3.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.369 1.068 . . . . 0.0 110.896 -171.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -106.43 146.05 31.0 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -161.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.99 -46.09 2.02 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.695 1.998 . . . . 0.0 111.733 163.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -64.92 -42.53 94.62 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.809 -1.182 . . . . 0.0 112.877 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -65.55 -44.09 87.86 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.126 0.57 . . . . 0.0 111.042 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.455 HG23 HG21 ' A' ' 75' ' ' VAL . 28.6 m -69.63 -39.73 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 O-C-N 121.667 -0.646 . . . . 0.0 110.071 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.579 HD13 ' HD2' ' B' ' 126' ' ' ARG 0.254 1.0 OUTLIER -62.85 -38.18 89.8 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 117.777 -1.569 . . . . 0.0 112.259 171.177 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -57.77 -59.5 5.12 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.767 -1.208 . . . . 0.0 111.515 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -61.07 -52.64 64.08 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.828 0.851 . . . . 0.0 111.713 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.6 mt -52.07 -53.38 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 121.432 -0.792 . . . . 0.0 110.715 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -55.32 -41.12 71.99 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.86 -1.15 . . . . 0.0 112.278 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 43.0 m -58.27 -58.03 10.29 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.671 -0.643 . . . . 0.0 112.036 173.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -64.8 -37.97 89.4 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.917 -1.115 . . . . 0.0 112.228 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -53.76 -28.03 32.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.08 1.752 . . . . 0.0 111.951 166.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.278 90.4 m -80.78 -40.22 25.46 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 118.89 -2.381 . . . . 0.0 114.532 170.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -55.36 9.62 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.593 1.088 . . . . 0.0 111.591 161.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -54.79 -40.94 69.96 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -51.94 -52.54 49.53 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.291 -1.506 . . . . 0.0 112.912 167.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.73 -47.15 74.14 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.204 0.911 . . . . 0.0 112.557 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.466 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 78.3 mm-40 -54.54 -44.77 73.14 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 120.782 -1.199 . . . . 0.0 112.517 172.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.95 -19.19 61.93 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 120.255 -1.528 . . . . 0.0 113.024 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -82.04 -48.04 11.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.284 1.834 . . . . 0.0 113.135 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.466 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 49.1 mtmt -42.77 145.45 0.46 Allowed 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -172.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.79 143.88 57.08 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.409 1.483 . . . . 0.0 114.938 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -130.85 109.28 10.45 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.292 1.437 . . . . 0.0 109.35 172.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -73.06 -7.5 51.55 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -171.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? . . . . . 0 CA--C 1.534 0.345 0 C-N-CA 126.142 1.777 . . . . 0.0 114.656 176.153 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -79.8 -171.39 2.84 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.993 1.317 . . . . 0.0 112.559 160.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.4 -67.39 0.31 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -167.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 30.3 p -59.57 -44.73 93.21 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.463 -0.773 . . . . 0.0 112.422 -174.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -65.52 -41.27 93.3 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.804 -1.185 . . . . 0.0 111.935 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.41 -48.57 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 120.583 -1.323 . . . . 0.0 111.064 174.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.96 -47.65 80.24 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 122.091 0.948 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.08 -38.01 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 O-C-N 121.472 -0.767 . . . . 0.0 111.938 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -42.05 80.2 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.703 1.201 . . . . 0.0 112.862 171.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.17 -39.69 95.39 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.433 -0.792 . . . . 0.0 110.144 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.423 ' HB3' HD11 ' A' ' 124' ' ' LEU . 50.2 mt -53.94 -45.77 71.34 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 120.551 -1.343 . . . . 0.0 110.535 171.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.446 ' HA ' ' CD2' ' A' ' 124' ' ' LEU . 39.4 m-85 -57.96 -54.37 47.71 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.581 -0.699 . . . . 0.0 112.214 174.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -81.53 -35.34 30.44 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -164.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -56.96 -34.07 67.68 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.451 -2.031 . . . . 0.0 111.679 161.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -78.97 -3.47 45.16 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.48 -1.387 . . . . 0.0 113.103 171.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 40.6 74.52 0.1 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.862 2.865 . . . . 0.0 114.728 -160.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.6 mt -122.14 118.37 55.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 126.293 1.837 . . . . 0.0 110.976 164.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -70.18 143.29 52.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 118.684 -1.206 . . . . 0.0 111.06 162.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 25.7 mm -99.95 129.6 28.12 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 125.065 1.346 . . . . 0.0 108.83 164.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.05 119.88 4.34 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.026 2.484 . . . . 0.0 112.419 172.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -28.3 -62.22 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.512 2.325 . . . . 0.0 113.549 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.46 -49.73 5.27 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.543 1.537 . . . . 0.0 114.18 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' ILE . . . . . 0.634 HG21 ' HB3' ' B' ' 112' ' ' GLN 0.271 14.8 pt -73.73 -28.94 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 O-C-N 120.256 -1.527 . . . . 0.0 112.742 178.473 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 14.4 mt -59.12 -49.33 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 120.202 1.365 . . . . 0.0 109.868 165.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -51.34 -63.06 1.25 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.604 1.561 . . . . 0.0 110.384 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.53 -43.53 97.05 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 120.962 -1.087 . . . . 0.0 112.001 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -46.37 83.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.103 -0.998 . . . . 0.0 111.97 176.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 25.2 t -58.5 -23.93 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 125.271 1.429 . . . . 0.0 114.297 167.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.09 -55.23 6.35 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 119.932 -1.73 . . . . 0.0 110.689 166.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.15 -59.98 4.55 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -176.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 14.1 mtm105 48.5 74.25 0.18 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.012 1.325 . . . . 0.0 112.563 -167.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.01 148.58 43.51 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.139 168.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . 0.261 5.4 pp0? -72.31 -44.97 61.93 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 120.878 -1.139 . . . . 0.0 113.231 -163.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 27.6 t -95.68 150.09 20.75 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -40.24 -42.96 1.6 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.636 1.975 . . . . 0.0 110.747 160.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -62.53 -41.52 98.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.267 -0.896 . . . . 0.0 112.4 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -71.99 -49.49 36.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.846 -0.534 . . . . 0.0 110.761 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 25.7 m -63.78 -38.16 81.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.288 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.7 pp -65.39 -39.35 92.12 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.213 -1.555 . . . . 0.0 111.564 174.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -55.43 -57.52 11.54 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 120.227 1.376 . . . . 0.0 111.661 172.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -51.52 -60.0 3.63 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.435 0.636 . . . . 0.0 111.493 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.0 mt -57.26 -50.56 76.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 O-C-N 121.286 -0.883 . . . . 0.0 111.378 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.9 -42.64 97.4 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.823 -1.173 . . . . 0.0 112.081 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 64.0 p -61.09 -50.33 73.71 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.368 -0.832 . . . . 0.0 111.775 170.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' GLN . . . . . 0.634 ' HB3' HG21 ' B' ' 90' ' ' ILE . 14.3 mm100 -64.52 -38.31 90.57 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.069 0.938 . . . . 0.0 112.751 -177.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -56.17 -37.89 70.18 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.909 1.683 . . . . 0.0 111.085 168.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 87.2 m -73.92 -38.14 64.39 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.234 -0.916 . . . . 0.0 113.403 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.05 -61.13 2.33 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.205 0.912 . . . . 0.0 110.405 162.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' TRP . . . . . 0.629 ' HE1' HG23 ' B' ' 90' ' ' ILE . 42.5 m95 -50.51 -44.69 56.25 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -51.07 -52.27 45.01 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.243 -0.911 . . . . 0.0 112.262 174.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.75 -38.36 83.37 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.47 -42.67 83.02 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 120.339 -1.475 . . . . 0.0 111.96 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -72.11 -4.42 28.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.663 -1.273 . . . . 0.0 113.154 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -108.12 -39.58 5.46 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.401 2.28 . . . . 0.0 112.357 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -47.87 147.18 2.08 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.326 1.85 . . . . 0.0 114.9 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.13 102.72 0.05 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.781 2.032 . . . . 0.0 116.197 -170.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -100.72 109.66 21.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.939 0.791 . . . . 0.0 109.462 162.862 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -7.83 52.19 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -173.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.579 ' HD2' HD13 ' A' ' 106' ' ' LEU . 26.7 mmt85 . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 126.95 2.1 . . . . 0.0 114.686 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 121.503 0.668 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t -110.39 -178.29 3.46 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.323 2.249 . . . . 0.0 111.783 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -34.17 -68.5 0.11 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.456 1.902 . . . . 0.0 115.108 -169.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.7 p -58.3 -61.99 2.16 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pm0 -58.9 -39.85 82.71 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 120.319 -1.488 . . . . 0.0 112.255 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.9 -42.88 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.569 -0.707 . . . . 0.0 111.526 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.72 -50.49 66.73 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 122.354 1.073 . . . . 0.0 111.278 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.595 HG12 ' CE2' ' A' ' 79' ' ' TYR . 13.6 t -68.55 -27.87 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 120.349 -1.469 . . . . 0.0 111.177 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.17 -31.32 61.28 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 165.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.58 -52.38 26.65 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 170.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.98 -33.88 62.85 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.189 -0.944 . . . . 0.0 112.293 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.691 ' CE1' HD12 ' B' ' 124' ' ' LEU . 29.3 m-85 -61.22 -61.76 2.32 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.323 1.449 . . . . 0.0 112.848 168.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.74 -35.64 67.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.856 1.207 . . . . 0.0 112.675 -172.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -61.08 -20.91 63.14 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.314 -1.491 . . . . 0.0 112.848 163.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.1 -9.28 58.73 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 119.832 -1.792 . . . . 0.0 114.688 165.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 62.68 43.32 7.49 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.344 2.657 . . . . 0.0 112.541 -165.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.2 mt -104.48 95.27 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 124.528 1.131 . . . . 0.0 109.877 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.75 74.31 5.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.958 -177.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.0 mm -42.37 131.15 2.79 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 125.44 1.496 . . . . 0.0 113.508 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.14 146.9 32.69 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.494 2.129 . . . . 0.0 110.636 170.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -45.06 -42.99 9.1 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.64 1.576 . . . . 0.0 111.883 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.19 -4.44 21.62 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.585 1.554 . . . . 0.0 114.397 -174.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.1 mm -79.98 -56.47 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 120.623 -1.298 . . . . 0.0 109.314 156.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.2 mt -57.89 -45.2 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.592 1.157 . . . . 0.0 110.518 -169.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -37.71 -79.01 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.544 2.338 . . . . 0.0 112.887 164.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.29 -36.81 83.25 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.3 1.04 . . . . 0.0 111.499 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -66.26 0.47 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.185 0.594 . . . . 0.0 112.078 172.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.57 -38.16 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 O-C-N 121.553 -0.717 . . . . 0.0 112.759 -175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -45.63 -38.79 7.0 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 171.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -74.77 -20.56 59.75 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.084 -1.01 . . . . 0.0 113.663 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 52.44 56.08 8.2 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.695 1.598 . . . . 0.0 113.976 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.1 mt -64.71 168.08 6.57 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.321 -0.862 . . . . 0.0 112.301 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -110.31 -55.58 2.44 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -166.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.2 p -103.31 164.81 11.41 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 123.562 1.648 . . . . 0.0 115.095 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -57.4 -37.33 72.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.889 1.676 . . . . 0.0 111.656 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -60.42 -46.15 91.04 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.261 -0.9 . . . . 0.0 111.761 173.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.8 -47.27 81.52 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.392 -0.818 . . . . 0.0 111.0 -177.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -65.27 -41.17 90.82 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.29 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 1.2 pp -65.64 -38.54 89.65 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.124 1.329 . . . . 0.0 111.999 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -60.16 -57.37 13.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.679 0.752 . . . . 0.0 110.45 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 112' ' ' GLN . 28.2 t80 -58.68 -52.03 67.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.592 1.157 . . . . 0.0 111.772 -177.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.07 -53.61 32.57 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 O-C-N 121.684 -0.635 . . . . 0.0 111.209 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.6 -40.44 83.24 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.689 -1.257 . . . . 0.0 112.226 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.1 m -57.9 -58.69 7.28 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.43 0.692 . . . . 0.0 112.312 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.411 ' HG3' ' CE1' ' A' ' 108' ' ' TYR . 12.9 mm100 -64.95 -25.25 67.79 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 120.861 -1.149 . . . . 0.0 113.117 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -74.31 -16.5 60.93 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.517 1.927 . . . . 0.0 111.351 169.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.308 87.2 m -86.36 -36.51 19.18 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.04 -1.662 . . . . 0.0 114.081 164.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -61.28 2.39 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.756 1.162 . . . . 0.0 110.85 160.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -53.37 -46.8 69.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -45.38 -50.42 12.31 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.691 -1.256 . . . . 0.0 113.287 167.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.79 -46.4 89.69 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.159 0.891 . . . . 0.0 112.599 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -65.76 -13.41 59.33 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.081 -1.637 . . . . 0.0 113.867 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -88.12 -4.0 58.81 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 119.571 -1.956 . . . . 0.0 113.121 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -120.77 -43.44 2.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.484 1.914 . . . . 0.0 113.224 -169.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -50.18 138.2 16.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.531 1.133 . . . . 0.0 113.286 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.85 126.17 26.52 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.058 1.343 . . . . 0.0 114.082 -173.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.471 HD23 ' CE1' ' B' ' 79' ' ' TYR . 6.4 tp -116.07 121.19 41.46 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 151.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.62 14.73 0.07 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.376 2.271 . . . . 0.0 116.333 -176.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.428 ' HE ' HD13 ' B' ' 106' ' ' LEU . 6.5 mmm180 . . . . . 0 CA--C 1.543 0.683 0 C-N-CA 126.018 1.727 . . . . 0.0 114.085 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 123.033 1.397 . . . . 0.0 113.94 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -99.49 -172.82 2.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.176 1.79 . . . . 0.0 112.061 170.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.55 -62.48 1.42 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -164.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 p -58.34 -57.79 11.37 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 pm0 -59.38 -39.81 84.53 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.818 -1.176 . . . . 0.0 112.575 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.61 -46.9 95.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.289 -0.882 . . . . 0.0 111.482 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.07 91.06 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.956 0.884 . . . . 0.0 111.061 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.518 HG12 ' CE2' ' B' ' 79' ' ' TYR . 20.8 t -73.03 -32.34 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.083 -1.011 . . . . 0.0 111.832 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.89 -29.1 54.99 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.48 -1.388 . . . . 0.0 114.35 166.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.78 -51.62 13.63 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 173.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 68.6 mt -47.78 -44.75 28.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.599 -1.313 . . . . 0.0 112.19 171.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.518 ' CE2' HG12 ' B' ' 75' ' ' VAL . 20.0 m-85 -51.5 -57.11 9.94 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.122 -0.986 . . . . 0.0 112.46 172.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.253 9.2 mm-40 -81.33 -26.68 35.4 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -46.72 -46.34 20.18 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.115 -1.616 . . . . 0.0 109.875 155.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -78.28 -7.34 57.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.279 9.8 t-20 51.05 80.63 0.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 130.356 3.462 . . . . 0.0 116.342 -163.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.0 mp -136.43 110.37 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.088 1.755 . . . . 0.0 110.001 170.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -64.87 134.22 53.56 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 118.691 -1.204 . . . . 0.0 108.664 159.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 30.3 mm -96.56 132.32 26.57 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.944 1.298 . . . . 0.0 109.306 171.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.12 141.4 87.45 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.168 1.912 . . . . 0.0 112.617 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 27.1 m -43.95 -49.48 8.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.784 1.234 . . . . 0.0 111.195 166.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.17 -47.07 46.1 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 17.7 mm -55.28 -54.08 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.692 -1.255 . . . . 0.0 109.824 172.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.7 mt -57.62 -44.73 85.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.989 -0.445 . . . . 0.0 110.743 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.15 -70.88 0.08 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.273 1.029 . . . . 0.0 111.693 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -52.95 -51.88 59.94 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.638 1.175 . . . . 0.0 111.331 -174.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -55.26 22.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.986 1.314 . . . . 0.0 111.946 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.75 -41.29 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 O-C-N 121.12 -0.987 . . . . 0.0 112.155 174.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.28 -49.44 77.6 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.823 0.849 . . . . 0.0 112.592 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -63.46 -28.05 69.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.371 -0.831 . . . . 0.0 112.304 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? 66.56 44.38 2.3 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.345 1.058 . . . . 0.0 113.555 164.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.01 155.58 19.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.574 0.75 . . . . 0.0 111.231 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -131.87 34.96 3.8 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.275 -0.89 . . . . 0.0 112.12 -168.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 30.0 t -160.82 135.14 7.2 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.527 -0.733 . . . . 0.0 111.483 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -52.38 -47.42 66.19 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.222 1.809 . . . . 0.0 111.823 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.5 -42.26 98.51 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.887 -1.133 . . . . 0.0 111.861 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -69.66 -34.13 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 120.61 -1.306 . . . . 0.0 111.254 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.31 -47.32 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.823 168.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.46 ' HB3' HG11 ' B' ' 75' ' ' VAL . 1.6 pp -63.2 -29.88 71.14 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.111 -1.618 . . . . 0.0 113.061 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -64.28 -62.3 1.7 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.116 0.966 . . . . 0.0 110.922 169.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -57.49 -50.4 73.18 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.515 0.726 . . . . 0.0 111.44 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -51.69 -54.58 12.12 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 C-N-CA 123.03 0.532 . . . . 0.0 110.852 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.35 -37.28 80.19 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.903 -1.123 . . . . 0.0 112.471 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 28.2 m -58.41 -59.36 5.47 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.778 0.831 . . . . 0.0 111.838 172.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -65.76 -32.15 73.54 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.893 -1.129 . . . . 0.0 112.08 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -61.19 -29.5 69.84 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.313 -1.492 . . . . 0.0 111.246 168.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.271 87.8 m -80.47 -37.52 31.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.272 -1.518 . . . . 0.0 114.049 173.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -48.77 -60.33 2.82 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.026 0.83 . . . . 0.0 110.749 157.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -50.04 -46.31 52.95 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.54 -47.23 57.69 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.662 -0.649 . . . . 0.0 112.608 173.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.56 -40.32 66.76 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.756 0.707 . . . . 0.0 112.873 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -56.75 -33.17 66.3 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.025 -1.672 . . . . 0.0 112.087 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -78.02 -7.95 57.54 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.277 -1.514 . . . . 0.0 114.279 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -92.62 -48.61 6.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.125 1.77 . . . . 0.0 112.481 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -41.95 143.96 0.49 Allowed 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 135.18 57.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.289 1.435 . . . . 0.0 114.77 178.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.691 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -110.13 123.51 49.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.748 0.819 . . . . 0.0 109.41 155.675 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.1 29.26 0.05 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 128.179 2.592 . . . . 0.0 116.174 -178.741 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 122.306 1.05 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.7 t -86.24 -175.14 5.39 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.057 1.343 . . . . 0.0 113.357 171.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.74 -50.36 66.14 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -167.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.1 p -69.94 -48.65 57.59 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.315 -0.866 . . . . 0.0 113.331 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -69.19 -35.08 75.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.373 1.069 . . . . 0.0 110.602 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.36 -47.01 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 O-C-N 120.991 -1.068 . . . . 0.0 111.418 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.54 65.43 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 123.219 1.485 . . . . 0.0 111.985 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.402 HG12 ' CE2' ' A' ' 79' ' ' TYR . 3.6 t -74.95 -36.81 39.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.567 -1.333 . . . . 0.0 113.001 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.87 -32.81 72.23 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.272 1.429 . . . . 0.0 114.22 171.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -67.52 -55.57 12.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.769 -1.196 . . . . 0.0 107.769 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.22 -37.42 82.97 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.621 -1.299 . . . . 0.0 113.037 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.502 ' CD1' HD22 ' B' ' 124' ' ' LEU . 3.9 m-85 -47.77 -50.07 26.71 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.952 -1.092 . . . . 0.0 112.221 165.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.6 -31.67 47.23 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -56.08 -29.43 60.56 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 119.282 -2.136 . . . . 0.0 111.818 158.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.1 m -85.99 -4.63 59.21 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.284 -1.51 . . . . 0.0 115.073 168.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 46.5 62.05 2.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.759 2.824 . . . . 0.0 114.148 -163.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.4 mt -118.48 97.74 5.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 125.91 1.684 . . . . 0.0 111.116 173.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 -71.26 108.19 4.62 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.081 -1.012 . . . . 0.0 110.329 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.8 mm -71.77 124.61 91.16 Favored Pre-proline 0 CA--C 1.545 0.777 0 O-C-N 119.297 -2.127 . . . . 0.0 111.007 175.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.445 ' CD ' HH12 ' A' ' 113' ' ' ARG . 14.4 Cg_endo -71.74 148.57 52.89 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.102 1.868 . . . . 0.0 109.782 172.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -30.95 -43.06 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 127.092 2.157 . . . . 0.0 113.056 163.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.89 -5.58 55.82 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 127.0 2.12 . . . . 0.0 112.886 -166.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.7 mm -81.2 -45.43 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 119.786 -1.821 . . . . 0.0 109.958 155.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.1 mt -71.92 -35.67 55.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.878 0.871 . . . . 0.0 111.077 -167.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -31.41 -55.78 0.25 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.661 2.784 . . . . 0.0 112.024 165.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.12 -68.0 0.63 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.928 2.491 . . . . 0.0 110.537 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 108' ' ' TYR . 1.2 tm? -60.17 -47.24 86.76 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -158.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -26.98 16.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -174.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -73.22 -60.48 2.22 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.362 0.601 . . . . 0.0 110.798 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -94.42 53.83 1.74 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.968 0.907 . . . . 0.0 112.209 -176.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 34.0 0.17 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -169.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.1 mt 51.94 -154.02 0.19 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.642 0.777 . . . . 0.0 113.063 167.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -111.3 -52.56 2.78 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.048 1.339 . . . . 0.0 111.509 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.2 m -113.7 152.38 30.56 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -168.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -39.24 -54.39 1.81 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.273 1.029 . . . . 0.0 112.665 165.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -55.87 -39.97 72.28 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.606 -0.684 . . . . 0.0 111.825 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.23 -49.99 51.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.871 -0.518 . . . . 0.0 110.704 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.5 -36.05 76.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.831 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' B' ' 126' ' ' ARG 0.28 2.3 pp -70.59 -39.04 74.06 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 120.078 1.308 . . . . 0.0 113.196 174.664 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -53.97 -56.35 18.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.468 1.031 . . . . 0.0 110.923 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.453 ' CD1' HD23 ' A' ' 94' ' ' LEU . 50.2 t80 -55.73 -57.48 11.84 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.929 1.292 . . . . 0.0 112.088 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.32 -47.38 77.98 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 123.889 0.876 . . . . 0.0 111.632 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.65 -37.99 83.33 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 120.659 1.572 . . . . 0.0 112.358 176.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.4 m -61.06 -60.42 3.8 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.617 -0.677 . . . . 0.0 112.049 171.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -56.62 -34.64 67.44 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.197 0.999 . . . . 0.0 112.243 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -64.2 -30.49 71.55 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.471 -1.393 . . . . 0.0 111.525 172.765 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.252 54.9 m -77.98 -35.67 49.83 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.537 -1.352 . . . . 0.0 113.765 169.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -50.66 -57.72 7.57 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.722 1.146 . . . . 0.0 111.199 161.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -54.85 -44.11 73.69 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.733 -1.229 . . . . 0.0 113.413 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -47.65 -49.85 26.27 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.576 -1.328 . . . . 0.0 111.192 168.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.92 -42.48 94.67 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -54.16 -29.85 47.05 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 119.784 -1.822 . . . . 0.0 112.153 168.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.7 6.04 33.17 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.377 -1.452 . . . . 0.0 113.714 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -122.74 -32.13 3.6 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.635 2.374 . . . . 0.0 112.713 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -46.97 145.25 2.13 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.169 1.388 . . . . 0.0 114.174 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 132.45 47.39 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.513 1.525 . . . . 0.0 114.964 175.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.694 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -110.22 123.08 49.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.929 0.892 . . . . 0.0 109.109 152.121 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -74.9 30.58 0.09 Allowed 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.323 -1.486 . . . . 0.0 114.32 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 126.164 1.786 . . . . 0.0 113.724 -176.243 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 CA--C 1.543 0.696 0 CA-C-O 121.222 0.534 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -97.02 176.92 5.78 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.867 1.267 . . . . 0.0 112.542 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.23 -61.64 0.86 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.696 1.598 . . . . 0.0 115.039 -168.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 p -61.93 -55.84 25.34 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -62.14 -35.2 78.03 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.876 -1.14 . . . . 0.0 112.192 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.58 -51.04 75.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 O-C-N 121.27 -0.894 . . . . 0.0 111.185 173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.84 -38.03 69.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.326 1.06 . . . . 0.0 111.496 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 t -72.0 -36.97 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 O-C-N 121.537 -0.727 . . . . 0.0 112.482 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.37 -27.82 69.34 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.932 -1.105 . . . . 0.0 113.96 168.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.67 -51.75 13.52 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.781 -0.574 . . . . 0.0 109.742 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 42.5 mt -46.51 -41.41 14.12 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.646 -1.284 . . . . 0.0 111.684 168.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.694 ' CE1' HD12 ' A' ' 124' ' ' LEU . 19.9 m-85 -56.79 -56.23 24.21 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 169.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.11 -28.86 60.41 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 121.671 2.032 . . . . 0.0 114.14 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -49.78 -45.91 50.25 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.169 -1.582 . . . . 0.0 110.606 159.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.3 p -77.3 -6.18 52.23 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.013 -1.054 . . . . 0.0 113.658 175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 42.52 69.82 0.34 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.608 2.763 . . . . 0.0 115.045 -159.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 62.7 mt -117.37 109.53 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.331 1.452 . . . . 0.0 112.667 167.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -69.78 121.5 17.35 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.745 -1.222 . . . . 0.0 110.459 167.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 48.7 mm -90.34 121.49 68.46 Favored Pre-proline 0 CA--C 1.543 0.696 0 O-C-N 119.987 -1.695 . . . . 0.0 110.207 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.53 126.16 21.05 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 121.636 1.557 . . . . 0.0 111.502 170.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -41.32 -41.34 1.91 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.998 2.119 . . . . 0.0 113.885 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -49.57 -45.25 47.51 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.233 1.013 . . . . 0.0 113.441 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 13.4 mm -50.06 -53.97 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 122.215 1.007 . . . . 0.0 110.522 169.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 41.0 mt -64.87 -46.84 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.209 -170.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -48.9 -63.7 1.02 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.206 1.002 . . . . 0.0 111.499 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.65 -55.48 29.2 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.719 -0.613 . . . . 0.0 109.886 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.459 HD23 ' CD2' ' B' ' 108' ' ' TYR . 0.9 OUTLIER -53.01 -49.07 66.98 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -175.512 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 t -49.36 -38.19 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.733 1.213 . . . . 0.0 113.754 172.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -72.8 -58.35 3.4 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.647 0.779 . . . . 0.0 111.897 171.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -52.73 -48.64 66.54 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.106 1.362 . . . . 0.0 112.802 -174.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 61.27 75.63 0.4 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 164.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.83 173.32 5.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.646 0.779 . . . . 0.0 112.255 172.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -75.14 -35.96 61.62 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.081 -1.012 . . . . 0.0 112.994 -170.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 26.2 p -145.86 164.33 32.29 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -172.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -36.95 -54.03 0.95 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.522 2.729 . . . . 0.0 112.602 170.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -56.57 -47.18 80.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.141 0.972 . . . . 0.0 111.86 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.77 -44.37 73.8 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.794 -0.566 . . . . 0.0 110.781 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.11 -39.02 83.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.637 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.301 3.7 pp -63.97 -39.6 94.51 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.794 1.634 . . . . 0.0 112.204 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -60.38 -53.37 58.39 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.286 -0.884 . . . . 0.0 111.643 175.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' TYR . . . . . 0.459 ' CD2' HD23 ' B' ' 94' ' ' LEU . 72.0 t80 -57.05 -55.56 33.1 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.997 1.319 . . . . 0.0 112.239 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 60.4 mt -49.09 -53.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 124.204 1.002 . . . . 0.0 111.224 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -62.64 -40.4 96.88 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.182 -0.949 . . . . 0.0 112.867 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 52.3 m -54.26 -53.62 51.24 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.18 -0.95 . . . . 0.0 111.709 170.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.26 -28.27 69.05 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.009 -1.057 . . . . 0.0 112.295 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -79.51 -4.43 51.31 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.251 -1.53 . . . . 0.0 113.545 171.48 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.317 12.4 m -83.09 -36.95 24.45 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 119.634 -1.916 . . . . 0.0 112.951 156.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.39 -64.42 0.83 Allowed 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.469 1.032 . . . . 0.0 111.846 160.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -55.43 -38.52 69.09 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.004 -1.06 . . . . 0.0 113.622 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.26 -57.13 6.39 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.616 -1.303 . . . . 0.0 112.653 164.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.96 -39.72 90.62 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.034 0.834 . . . . 0.0 112.217 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.5 -27.96 63.02 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.528 -1.358 . . . . 0.0 112.63 170.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -91.56 25.9 2.5 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.997 1.719 . . . . 0.0 112.627 170.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -146.35 -18.98 0.43 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -68.45 50.26 0.07 Allowed 'General case' 0 CA--C 1.563 1.466 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -173.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.18 91.97 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 118.768 2.877 . . . . 0.0 118.768 164.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 79' ' ' TYR . 17.5 tp -81.96 93.05 6.86 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.245 -1.535 . . . . 0.0 112.058 167.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -63.28 -43.84 96.78 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.822 0.849 . . . . 0.0 112.116 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.492 ' HG3' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.446 0 C-N-CA 126.28 1.832 . . . . 0.0 114.794 170.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.273 5.0 tp . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 122.64 1.209 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.6 t -118.2 -167.35 1.34 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 128.196 2.598 . . . . 0.0 110.725 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -28.26 -69.76 0.05 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.355 2.262 . . . . 0.0 116.256 -164.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.08 -57.85 9.25 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -175.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pm0 -63.13 -29.78 71.07 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.517 -1.365 . . . . 0.0 112.864 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.55 -42.42 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 120.611 -1.306 . . . . 0.0 111.712 170.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.29 79.75 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.791 1.282 . . . . 0.0 111.43 172.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.734 HG21 HG23 ' A' ' 105' ' ' VAL . 12.7 t -62.47 -36.58 75.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 119.296 -2.128 . . . . 0.0 111.628 169.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -34.63 58.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 166.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -45.06 78.39 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.505 -0.747 . . . . 0.0 110.528 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' B' ' 124' ' ' LEU . 6.3 mt -63.25 -36.55 84.04 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.108 -0.995 . . . . 0.0 111.33 174.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.739 ' CE1' HD12 ' B' ' 124' ' ' LEU . 18.2 m-85 -59.79 -45.33 92.65 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.777 -1.202 . . . . 0.0 113.316 167.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.76 -50.86 72.35 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.891 0.769 . . . . 0.0 110.382 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -53.26 -40.22 64.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.082 1.353 . . . . 0.0 112.481 170.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 m -80.3 1.27 29.34 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 52.43 58.04 5.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.301 1.44 . . . . 0.0 111.735 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.552 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 25.4 mt -121.23 113.3 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 O-C-N 120.871 -1.143 . . . . 0.0 112.651 -174.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -78.94 128.91 33.9 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.988 -1.07 . . . . 0.0 110.323 168.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.2 mm -93.01 122.91 62.61 Favored Pre-proline 0 CA--C 1.542 0.663 0 O-C-N 120.898 -1.127 . . . . 0.0 111.276 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.6 141.71 73.78 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.376 2.05 . . . . 0.0 112.521 168.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -36.63 -51.37 0.85 Allowed 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.481 1.112 . . . . 0.0 110.906 156.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.5 3.05 4.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -175.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.1 mm -84.54 -50.43 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 120.597 -1.315 . . . . 0.0 108.979 155.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.76 -46.61 91.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 125.048 1.339 . . . . 0.0 110.074 -170.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -37.27 -37.58 0.18 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 129.173 2.989 . . . . 0.0 113.37 167.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.28 -62.96 1.33 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.697 1.599 . . . . 0.0 113.169 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -54.07 -45.87 71.83 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.468 1.107 . . . . 0.0 113.594 -171.214 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.4 t -54.11 -21.99 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 124.624 1.17 . . . . 0.0 112.905 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -74.52 -44.42 51.32 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.137 -0.977 . . . . 0.0 112.098 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -65.98 -59.05 4.21 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -168.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? 62.24 81.0 0.21 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.977 1.311 . . . . 0.0 112.034 -169.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.3 mt -74.21 175.57 7.44 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 122.955 0.502 . . . . 0.0 111.069 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -77.54 -47.02 20.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.479 -0.763 . . . . 0.0 111.405 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.0 t -116.89 148.36 41.38 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -166.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -42.68 -48.01 5.44 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.658 1.583 . . . . 0.0 110.807 161.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -60.68 -40.89 93.82 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.742 -1.224 . . . . 0.0 112.684 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -67.89 -45.94 73.03 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.808 -0.557 . . . . 0.0 111.475 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.734 HG23 HG21 ' A' ' 75' ' ' VAL 0.272 33.4 m -64.67 -37.74 80.88 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.402 177.117 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.409 ' HB3' HG13 ' A' ' 75' ' ' VAL 0.318 4.5 pp -66.13 -36.41 83.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 118.028 -1.469 . . . . 0.0 113.408 173.164 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -58.75 -57.45 12.96 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 120.775 -1.203 . . . . 0.0 111.596 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.422 ' CD1' HD23 ' A' ' 94' ' ' LEU . 40.5 t80 -53.19 -54.18 39.67 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.855 1.262 . . . . 0.0 111.481 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.81 -47.59 88.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 121.406 -0.808 . . . . 0.0 111.809 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.99 -41.48 64.65 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.103 -1.623 . . . . 0.0 112.097 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.1 m -61.89 -57.27 12.43 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.503 0.721 . . . . 0.0 112.241 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -60.95 -23.75 65.54 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.62 -1.3 . . . . 0.0 112.814 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.552 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 14.9 ttt-85 -76.84 -21.35 55.17 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 119.817 -1.802 . . . . 0.0 112.557 170.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.5 m -72.05 -47.02 54.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 120.423 -1.423 . . . . 0.0 112.768 163.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -47.73 -61.2 2.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.252 0.933 . . . . 0.0 110.718 162.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -53.66 -46.17 70.5 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -39.65 79.6 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.616 -1.302 . . . . 0.0 112.519 173.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.25 -47.22 85.32 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.319 -0.863 . . . . 0.0 112.857 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -58.36 -33.61 69.76 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 119.885 -1.759 . . . . 0.0 112.382 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -73.07 -9.09 58.36 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.007 -1.683 . . . . 0.0 114.004 172.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -112.4 -40.76 4.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.717 2.007 . . . . 0.0 113.614 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -42.96 143.03 0.8 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.317 1.847 . . . . 0.0 114.87 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 138.4 56.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.351 1.46 . . . . 0.0 114.094 173.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' B' ' 78' ' ' LEU . 4.4 tt -139.17 115.91 10.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.986 1.715 . . . . 0.0 108.122 166.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -74.32 27.19 0.08 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 -166.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 126.586 1.954 . . . . 0.0 114.899 176.373 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.271 6.6 mp . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 122.952 1.358 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.6 t -74.56 174.59 8.8 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.453 1.101 . . . . 0.0 111.808 165.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.83 -55.72 6.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.063 1.345 . . . . 0.0 113.53 -175.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 26.1 p -59.68 -59.61 5.16 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pm0 -65.13 -32.89 74.81 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 121.231 1.832 . . . . 0.0 112.96 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.11 -47.67 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 119.003 0.819 . . . . 0.0 110.959 170.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.91 87.99 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.257 0.551 . . . . 0.0 110.57 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.487 HG12 ' CE2' ' B' ' 79' ' ' TYR . 6.2 t -67.74 -39.2 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 O-C-N 121.152 -0.968 . . . . 0.0 111.266 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 23.8 mt -53.38 -30.14 38.26 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.918 1.287 . . . . 0.0 114.46 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -78.62 -48.15 15.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.461 ' HB3' HD21 ' A' ' 124' ' ' LEU . 29.6 mt -51.72 -40.13 59.63 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 119.838 -1.789 . . . . 0.0 112.599 169.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.487 ' CE2' HG12 ' B' ' 75' ' ' VAL . 25.7 m-85 -49.12 -60.69 2.58 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.22 170.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -80.68 -27.75 36.98 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -48.23 -45.9 34.69 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 120.033 -1.667 . . . . 0.0 110.358 160.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.6 p -80.25 -1.15 39.45 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.285 -0.884 . . . . 0.0 113.23 177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 54.3 58.25 5.13 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.161 2.584 . . . . 0.0 113.355 -170.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 60.4 mt -116.71 117.84 56.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 125.06 1.344 . . . . 0.0 111.267 162.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -70.99 131.54 43.83 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 160.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 6.2 mm -88.16 134.33 35.11 Favored Pre-proline 0 CA--C 1.541 0.634 0 O-C-N 120.866 -1.146 . . . . 0.0 109.016 167.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.02 137.66 19.77 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 121.077 1.185 . . . . 0.0 110.222 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 4.8 m -46.36 -42.78 15.42 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.437 1.895 . . . . 0.0 112.764 -173.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -44.59 -58.84 2.77 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.975 1.31 . . . . 0.0 113.577 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.0 pt -70.05 -22.7 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 O-C-N 120.139 -1.601 . . . . 0.0 112.612 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 16.4 mt -62.43 -49.93 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 120.774 -1.204 . . . . 0.0 110.007 166.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -54.25 -42.05 69.46 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.574 1.15 . . . . 0.0 112.362 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -67.21 -64.76 0.79 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.434 0.694 . . . . 0.0 110.714 173.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.58 -49.49 36.47 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.8 1.24 . . . . 0.0 111.8 -174.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 56.0 t -53.84 -38.91 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 O-C-N 121.153 -0.967 . . . . 0.0 113.171 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -47.6 64.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.763 0.825 . . . . 0.0 112.317 173.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -55.02 -32.61 61.97 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.496 0.665 . . . . 0.0 111.729 173.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? 58.45 41.46 22.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.16 1.384 . . . . 0.0 112.197 169.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.0 157.39 5.83 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -76.77 -44.6 32.29 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -161.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.1 p -154.08 175.45 13.42 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.827 0.822 . . . . 0.0 112.65 -172.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.4 mp0 -54.23 -43.91 71.27 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 125.932 1.693 . . . . 0.0 113.457 -167.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -65.78 -34.02 77.21 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.122 0.963 . . . . 0.0 112.39 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 -69.61 -41.52 75.61 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 121.189 -0.944 . . . . 0.0 111.697 173.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.47 -56.7 14.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.278 2.1 pp -58.76 -47.41 84.76 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.469 -0.769 . . . . 0.0 112.465 -174.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . 0.253 2.7 p30 -65.34 -45.7 83.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.902 1.683 . . . . 0.0 112.789 -177.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -65.88 -55.45 16.92 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.458 -0.776 . . . . 0.0 112.085 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -44.57 50.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 O-C-N 121.206 -0.934 . . . . 0.0 110.744 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.29 -34.57 78.65 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.801 -1.187 . . . . 0.0 111.176 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 87.7 m -61.84 -58.24 8.74 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.209 0.604 . . . . 0.0 111.855 170.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -60.91 -41.89 96.98 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.595 1.188 . . . . 0.0 112.224 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -54.86 -32.13 60.37 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.234 -1.541 . . . . 0.0 111.921 167.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 54.4 m -78.07 -36.52 48.19 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 119.879 -1.763 . . . . 0.0 113.916 172.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.96 -57.94 5.68 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.516 1.053 . . . . 0.0 110.638 160.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -55.09 -40.47 70.45 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -55.57 -55.13 35.53 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.839 -1.163 . . . . 0.0 112.354 172.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.26 -38.03 87.73 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.622 0.725 . . . . 0.0 112.172 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -63.31 -53.17 56.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.712 1.205 . . . . 0.0 111.341 173.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ASN . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 113' ' ' ARG . 87.3 m-20 -68.46 -11.76 60.23 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.156 1.782 . . . . 0.0 114.413 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -39.41 94.46 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.015 0.926 . . . . 0.0 111.193 164.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.06 139.4 58.09 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -118.65 139.01 52.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.264 2.226 . . . . 0.0 111.072 -165.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.739 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -84.76 100.74 11.72 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.084 -1.01 . . . . 0.0 110.087 176.431 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -76.94 6.79 5.66 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.357 -1.465 . . . . 0.0 113.762 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 . . . . . 0 N--CA 1.471 0.582 0 C-N-CA 126.165 1.786 . . . . 0.0 113.736 172.108 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 CA--C 1.533 0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 t -76.03 178.52 6.25 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.801 0.81 . . . . 0.0 111.324 168.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.63 64.54 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -160.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.1 p -61.29 -51.22 69.81 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 120.842 -1.161 . . . . 0.0 113.508 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -66.46 -36.7 83.4 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.908 -1.12 . . . . 0.0 112.118 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.37 -46.48 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 120.855 -1.153 . . . . 0.0 111.671 172.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.13 69.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 122.791 1.281 . . . . 0.0 112.225 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.9 t -76.16 -32.58 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 119.977 -1.702 . . . . 0.0 112.18 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.88 -33.24 55.84 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.805 -1.184 . . . . 0.0 113.153 161.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . 0.257 0.0 OUTLIER -66.56 -45.11 80.43 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.728 -0.608 . . . . 0.0 109.869 174.714 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.576 ' HB3' HD11 ' B' ' 124' ' ' LEU . 17.1 mt -59.36 -39.33 82.89 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.619 -1.301 . . . . 0.0 111.914 171.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.732 ' CE1' HD12 ' B' ' 124' ' ' LEU . 24.3 m-85 -55.95 -47.0 78.4 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 117.558 -1.211 . . . . 0.0 113.068 170.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.261 67.0 mm-40 -80.45 -29.12 37.52 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -50.63 -28.7 9.33 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.293 -1.504 . . . . 0.0 110.779 155.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.76 -1.1 41.31 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 35.39 85.74 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 128.464 2.706 . . . . 0.0 115.58 -158.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -137.47 113.51 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 127.007 2.123 . . . . 0.0 111.232 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -66.69 134.69 52.75 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.543 -1.348 . . . . 0.0 109.358 160.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.0 mm -95.11 129.43 35.51 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 124.636 1.174 . . . . 0.0 109.791 171.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.48 122.51 11.89 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 121.882 1.721 . . . . 0.0 111.395 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.7 m -37.67 -41.15 0.46 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.173 2.189 . . . . 0.0 114.084 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -51.96 -41.83 62.41 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.5 mm -51.77 -59.39 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.811 0.815 . . . . 0.0 110.179 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.84 -45.46 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.004 0.922 . . . . 0.0 110.857 -172.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -50.75 -45.46 58.83 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.817 1.647 . . . . 0.0 112.317 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.1 -60.89 2.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.583 0.753 . . . . 0.0 111.538 172.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -46.81 38.29 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.16 0.984 . . . . 0.0 112.944 -169.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.07 -36.07 30.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 O-C-N 121.648 -0.658 . . . . 0.0 112.321 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -72.77 -50.13 26.37 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.248 1.419 . . . . 0.0 111.328 173.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -73.31 70.26 1.17 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.275 1.43 . . . . 0.0 110.958 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -63.35 77.34 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.556 1.542 . . . . 0.0 114.721 -172.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.93 166.44 13.52 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.679 0.792 . . . . 0.0 110.585 163.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -86.18 -62.78 1.44 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.219 -0.926 . . . . 0.0 111.385 -169.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.3 p -102.33 167.39 10.0 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -173.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -42.81 -53.53 4.56 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.841 0.829 . . . . 0.0 112.358 163.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 37.8 tp60 -53.71 -43.6 69.12 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.352 1.072 . . . . 0.0 111.027 -171.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.35 -49.1 70.64 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 123.848 0.859 . . . . 0.0 111.06 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . 0.266 9.5 m -66.26 -40.62 87.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.181 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 4.6 pp -62.82 -30.6 71.61 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.242 -1.537 . . . . 0.0 112.444 173.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -68.0 -57.14 6.64 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.311 -1.493 . . . . 0.0 111.749 172.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -57.0 -53.44 58.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.264 0.625 . . . . 0.0 111.489 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -51.99 -51.25 30.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 123.27 0.628 . . . . 0.0 111.822 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -57.59 -40.44 79.04 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 120.979 1.718 . . . . 0.0 112.518 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.0 m -58.12 -57.77 11.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.691 0.796 . . . . 0.0 111.436 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.97 -33.05 66.67 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.548 1.939 . . . . 0.0 113.206 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -79.87 -16.12 56.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.901 2.48 . . . . 0.0 111.565 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.287 97.8 m -86.05 -37.22 19.13 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 119.899 -1.751 . . . . 0.0 112.595 166.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -48.87 -63.82 0.98 Allowed 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.638 -0.664 . . . . 0.0 111.604 156.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -55.27 -39.84 70.29 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.025 -1.047 . . . . 0.0 113.806 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -52.86 -52.66 56.5 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.827 -1.171 . . . . 0.0 112.54 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.25 -43.93 83.41 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.09 0.859 . . . . 0.0 112.588 175.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -59.21 -33.66 71.24 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.876 -1.14 . . . . 0.0 113.024 170.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -78.26 -10.86 59.84 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 119.617 -1.927 . . . . 0.0 114.229 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -96.31 -50.36 4.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.241 1.816 . . . . 0.0 112.896 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -46.39 147.23 1.2 Allowed 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -168.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.76 108.33 0.17 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 129.838 3.255 . . . . 0.0 117.082 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' B' ' 79' ' ' TYR . 0.3 OUTLIER -107.76 101.15 10.47 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.641 1.176 . . . . 0.0 111.546 168.053 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -12.1 60.36 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -169.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 CA--C 1.538 0.512 0 C-N-CA 125.96 1.704 . . . . 0.0 112.362 -168.686 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 122.974 1.369 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.3 m -74.55 160.45 30.87 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.055 0.942 . . . . 0.0 111.66 164.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.46 -52.1 0.84 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -177.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.4 p -59.32 -60.57 3.64 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -61.47 -33.11 73.2 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.277 -1.514 . . . . 0.0 112.501 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -45.17 95.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 O-C-N 121.511 -0.743 . . . . 0.0 111.646 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.9 86.03 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 122.759 1.266 . . . . 0.0 110.843 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' B' ' 79' ' ' TYR . 16.1 t -70.26 -36.33 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 O-C-N 120.848 -1.158 . . . . 0.0 111.87 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.37 -25.56 59.68 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 170.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -75.37 -46.21 34.45 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 171.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.3 mt -52.83 -44.75 66.95 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.631 -1.293 . . . . 0.0 109.816 170.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.564 ' CE2' HG12 ' B' ' 75' ' ' VAL . 36.7 m-85 -53.93 -61.23 2.44 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.696 0.68 . . . . 0.0 111.913 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -75.46 -44.03 46.28 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -166.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -53.31 -40.19 64.6 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 119.949 -1.719 . . . . 0.0 112.389 169.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.0 t -74.9 -4.44 38.02 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.806 -1.184 . . . . 0.0 113.489 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 66.56 48.47 1.48 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 129.548 3.139 . . . . 0.0 112.937 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 mp -114.88 109.11 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 125.555 1.542 . . . . 0.0 109.159 167.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -72.39 142.93 48.72 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.312 166.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 29.4 mm -105.06 129.47 24.76 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 124.795 1.238 . . . . 0.0 110.169 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -78.71 150.94 24.63 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.031 1.82 . . . . 0.0 111.446 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 7.0 m -36.73 -46.0 0.57 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 126.621 1.968 . . . . 0.0 112.157 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.64 -1.06 12.33 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.643 1.577 . . . . 0.0 115.084 -173.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.22 -44.56 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 120.855 -1.153 . . . . 0.0 109.46 158.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 81.6 mt -72.03 -43.13 67.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 124.976 1.31 . . . . 0.0 110.755 -168.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -28.98 -63.99 0.1 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 128.255 2.622 . . . . 0.0 112.362 164.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -65.07 -70.23 0.24 Allowed 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.218 1.807 . . . . 0.0 109.108 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.542 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.0 OUTLIER -53.27 -47.38 69.17 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -163.416 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 49.2 t -48.18 -46.97 13.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 O-C-N 121.227 -0.92 . . . . 0.0 113.339 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -84.21 -40.8 17.66 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.301 1.041 . . . . 0.0 112.138 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -50.37 -45.27 55.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.234 1.414 . . . . 0.0 112.017 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 63.85 61.8 0.94 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 160.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.88 165.4 17.7 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.585 -0.697 . . . . 0.0 111.327 167.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -107.67 5.69 27.05 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.733 1.382 . . . . 0.0 114.733 -160.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 19.8 p -153.88 165.0 37.46 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 120.262 -1.524 . . . . 0.0 114.615 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -46.16 -47.0 17.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.802 2.041 . . . . 0.0 111.236 167.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 33.5 tp60 -61.49 -45.14 95.49 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 122.029 0.919 . . . . 0.0 111.11 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -67.71 -45.31 75.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.281 -0.887 . . . . 0.0 111.005 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.408 HG23 HG21 ' B' ' 75' ' ' VAL . 19.7 m -70.2 -34.0 57.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.342 0 O-C-N 121.567 -0.708 . . . . 0.0 111.233 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 pp -67.39 -36.99 82.44 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.899 1.681 . . . . 0.0 112.352 172.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.12 -57.22 13.42 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 122.365 1.079 . . . . 0.0 110.337 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' TYR . . . . . 0.542 ' CD2' HD23 ' B' ' 94' ' ' LEU . 55.7 t80 -60.16 -55.01 39.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.646 1.178 . . . . 0.0 112.598 -176.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.438 HG21 ' CE2' ' B' ' 79' ' ' TYR . 86.8 mt -50.88 -46.91 30.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 O-C-N 121.343 -0.848 . . . . 0.0 111.186 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -61.33 -39.58 91.07 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.667 1.121 . . . . 0.0 112.518 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 25.6 m -59.04 -58.4 8.8 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.823 0.849 . . . . 0.0 112.3 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -61.34 -31.47 71.34 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.796 -1.19 . . . . 0.0 112.418 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -71.17 -20.6 62.27 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.151 1.38 . . . . 0.0 111.981 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 98.5 m -78.65 -43.89 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 119.928 -1.732 . . . . 0.0 112.162 168.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -46.09 -66.71 0.36 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.507 0.594 . . . . 0.0 110.444 159.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -56.85 -38.4 72.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.274 0.0 OUTLIER -58.92 -47.9 83.39 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.381 -1.45 . . . . 0.0 112.379 170.878 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.96 -43.69 95.03 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.383 0.992 . . . . 0.0 111.801 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.42 -39.71 84.34 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.733 -1.229 . . . . 0.0 111.881 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -71.7 -18.99 62.13 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.323 -1.485 . . . . 0.0 114.14 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -79.37 -32.26 43.09 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.673 1.589 . . . . 0.0 112.212 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -48.5 128.63 15.15 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.418 -0.801 . . . . 0.0 112.921 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 138.82 55.09 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.708 1.203 . . . . 0.0 113.924 174.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.732 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -113.77 100.57 8.56 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.052 0.842 . . . . 0.0 109.96 149.73 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -67.36 27.25 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.964 2.106 . . . . 0.0 115.913 -171.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 126.78 2.032 . . . . 0.0 114.196 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.527 ' HB3' HG22 ' A' ' 73' ' ' VAL . 71.4 mt . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 73' ' ' VAL . 52.9 p -110.45 171.95 7.16 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.374 1.469 . . . . 0.0 112.093 167.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -28.59 -66.62 0.08 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -159.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.5 p -63.8 -54.08 40.84 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -173.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' CD ' HH12 ' A' ' 98' ' ' ARG . 22.7 pm0 -60.37 -34.91 74.55 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.145 -1.597 . . . . 0.0 113.093 172.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 68' ' ' LEU . 42.4 t -59.8 -47.82 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 120.475 -1.39 . . . . 0.0 110.486 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.61 93.78 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.252 1.025 . . . . 0.0 111.607 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.1 t -68.12 -38.3 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 O-C-N 120.627 -1.295 . . . . 0.0 112.012 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -41.0 79.43 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.887 0.875 . . . . 0.0 112.48 168.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.54 -48.41 81.16 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.581 -0.699 . . . . 0.0 110.032 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -55.45 -43.4 75.39 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.055 -1.028 . . . . 0.0 111.798 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CD1' HD22 ' B' ' 124' ' ' LEU . 25.7 m-85 -53.14 -51.73 61.02 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 120.601 -1.312 . . . . 0.0 112.692 171.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.06 -31.46 25.35 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.458 1.026 . . . . 0.0 113.621 -167.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -49.89 -32.51 14.73 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.735 -1.228 . . . . 0.0 111.601 154.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -89.48 -8.74 52.25 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 173.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . 0.338 0.2 OUTLIER 54.94 50.41 15.6 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 131.401 3.88 . . . . 0.0 116.443 -163.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -116.62 73.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 120.103 -1.623 . . . . 0.0 112.144 -173.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -61.65 133.91 56.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.61 0.719 . . . . 0.0 112.094 -165.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.4 HD13 ' NH1' ' A' ' 113' ' ' ARG . 26.2 mm -85.24 125.55 69.73 Favored Pre-proline 0 CA--C 1.548 0.898 0 O-C-N 120.536 -1.353 . . . . 0.0 111.056 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.98 135.54 25.57 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.007 1.804 . . . . 0.0 109.13 171.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -40.35 -52.61 2.69 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 128.302 2.641 . . . . 0.0 113.113 -174.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -38.76 -47.23 1.36 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.2 mm -52.03 -55.62 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 121.334 -0.854 . . . . 0.0 111.079 173.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.36 -50.8 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.883 0.849 . . . . 0.0 110.518 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -51.86 -29.28 19.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.268 3.027 . . . . 0.0 112.912 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -83.87 -65.76 0.97 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.643 1.577 . . . . 0.0 112.469 166.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -48.29 -47.47 36.38 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.227 2.611 . . . . 0.0 112.858 -169.527 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 51.5 t -47.12 -42.66 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.281 1.032 . . . . 0.0 113.347 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -70.96 -50.33 35.75 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.262 -0.899 . . . . 0.0 111.749 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -77.37 69.87 3.68 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 122.337 1.065 . . . . 0.0 111.223 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.486 HH12 ' CD ' ' A' ' 72' ' ' GLU . 8.8 tpm_? -49.56 77.76 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.591 2.356 . . . . 0.0 114.699 -178.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.65 160.85 21.76 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.256 -0.903 . . . . 0.0 110.498 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -81.16 -62.08 1.76 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.574 1.149 . . . . 0.0 110.82 -171.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 t -102.63 153.66 19.89 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -166.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 29.4 mp0 -35.43 -51.59 0.61 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 128.018 2.527 . . . . 0.0 110.776 157.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -61.25 -40.81 95.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.112 -0.993 . . . . 0.0 112.009 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -72.05 -48.0 47.6 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.945 0.898 . . . . 0.0 111.379 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.3 m -63.78 -40.04 87.61 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 O-C-N 121.405 -0.809 . . . . 0.0 110.214 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.252 1.5 pp -67.2 -37.69 84.08 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 118.581 -1.248 . . . . 0.0 111.586 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -55.01 -57.52 11.37 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.516 -1.365 . . . . 0.0 111.943 170.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.403 ' CD2' HD23 ' A' ' 94' ' ' LEU . 82.4 t80 -53.67 -58.08 8.5 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.72 0.808 . . . . 0.0 111.596 177.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.407 HG21 ' CE2' ' A' ' 79' ' ' TYR . 93.0 mt -55.54 -53.65 34.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.071 0.948 . . . . 0.0 112.083 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -54.58 -48.24 72.36 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.058 -1.027 . . . . 0.0 112.171 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.1 m -56.96 -56.31 23.4 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.824 0.45 . . . . 0.0 111.639 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -66.65 -37.43 84.8 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.685 -0.634 . . . . 0.0 112.148 -174.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.4 ' NH1' HD13 ' A' ' 86' ' ' ILE . 5.0 ptm85 -66.57 -25.92 66.87 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.61 -1.931 . . . . 0.0 111.702 172.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 m -70.74 -39.18 73.47 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.887 -1.133 . . . . 0.0 113.809 165.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -57.07 7.45 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.97 1.259 . . . . 0.0 110.66 163.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -52.15 -44.94 64.81 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -49.71 -48.87 49.58 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.47 -1.394 . . . . 0.0 111.511 172.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.2 -46.27 91.16 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -51.61 -36.39 45.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.251 -1.531 . . . . 0.0 112.721 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -82.13 -0.54 45.27 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.573 -1.329 . . . . 0.0 113.648 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -112.23 -42.25 3.76 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.25 2.22 . . . . 0.0 112.75 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -50.0 154.42 1.12 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.58 132.99 55.44 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.044 1.737 . . . . 0.0 115.153 -176.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -125.35 130.17 51.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.96 0.904 . . . . 0.0 109.045 156.032 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.61 -1.7 11.96 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 . . . . . 0 CA--C 1.538 0.495 0 C-N-CA 126.575 1.95 . . . . 0.0 114.561 -178.876 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 122.479 1.133 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 6.6 m -105.21 179.14 4.36 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.501 1.921 . . . . 0.0 111.235 170.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.95 -68.2 0.15 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -169.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 2.4 p -58.35 -57.15 14.19 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -175.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -60.27 -39.38 86.62 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.829 -1.169 . . . . 0.0 112.077 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.73 -48.13 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.414 -0.804 . . . . 0.0 111.372 173.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.51 -49.12 78.55 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.597 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.486 HG12 ' CE2' ' B' ' 79' ' ' TYR . 14.2 t -69.77 -31.48 48.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 O-C-N 121.239 -0.913 . . . . 0.0 111.623 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.34 -32.3 69.98 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 167.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.92 -50.01 58.56 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 170.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.08 -40.22 67.04 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.276 -1.515 . . . . 0.0 111.52 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.614 ' CE1' HD12 ' A' ' 124' ' ' LEU . 24.8 m-85 -52.12 -66.0 0.46 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.361 0.982 . . . . 0.0 113.377 168.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -77.32 -32.28 55.14 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.696 1.134 . . . . 0.0 113.222 -168.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -56.66 -40.8 76.14 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.151 -1.593 . . . . 0.0 110.952 162.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -78.94 1.66 22.93 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.867 -1.146 . . . . 0.0 113.828 170.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.78 32.46 2.47 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.277 2.231 . . . . 0.0 111.761 170.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.1 mt -106.73 120.8 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 126.716 2.007 . . . . 0.0 111.069 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -75.26 152.71 38.24 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 118.856 -1.138 . . . . 0.0 112.232 162.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 34.4 mm -114.27 126.76 27.58 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.674 1.99 . . . . 0.0 109.767 170.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.6 138.63 67.02 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.521 2.148 . . . . 0.0 112.834 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.2 -49.36 12.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.926 0.89 . . . . 0.0 111.856 173.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.69 -46.99 5.27 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.26 -57.02 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 121.339 -0.85 . . . . 0.0 109.274 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.96 -45.4 87.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.396 0.678 . . . . 0.0 110.727 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -49.01 -57.23 6.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.712 1.605 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -72.26 -55.79 6.6 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.469 -0.769 . . . . 0.0 111.854 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.402 HD23 ' CD1' ' B' ' 108' ' ' TYR . 0.8 OUTLIER -43.55 -46.36 7.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.797 1.639 . . . . 0.0 112.973 -177.664 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 51.0 t -54.61 -64.87 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 123.244 0.617 . . . . 0.0 111.92 168.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -35.12 65.67 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -174.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -61.18 -24.21 66.15 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 46.73 63.61 1.85 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 122.868 1.318 . . . . 0.0 112.989 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 32.6 mt -67.34 160.69 26.73 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.946 -1.096 . . . . 0.0 111.982 172.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -84.14 -48.35 9.93 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.324 1.05 . . . . 0.0 112.838 -157.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 46.4 p -145.61 174.36 11.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.283 1.039 . . . . 0.0 113.693 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -38.31 -43.72 0.83 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 130.378 3.471 . . . . 0.0 112.569 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -60.71 -50.22 74.35 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.399 -0.813 . . . . 0.0 111.856 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -68.95 -37.65 78.98 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.281 -0.887 . . . . 0.0 112.312 -177.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.03 -44.37 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.563 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.4 pp -64.32 -36.23 83.45 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.16 1.345 . . . . 0.0 111.685 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -57.28 -62.17 1.95 Allowed 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.034 -1.041 . . . . 0.0 111.309 172.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' TYR . . . . . 0.402 ' CD1' HD23 ' B' ' 94' ' ' LEU . 26.4 t80 -51.98 -56.28 15.22 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.456 0.702 . . . . 0.0 110.733 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.1 mt -57.05 -58.1 7.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 C-N-CA 122.77 0.428 . . . . 0.0 110.238 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.03 -37.56 69.37 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.71 -1.244 . . . . 0.0 112.715 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 64.9 m -63.05 -59.38 4.88 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.647 -0.658 . . . . 0.0 112.457 172.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -67.68 -34.79 77.61 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 122.267 1.032 . . . . 0.0 111.802 -174.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -54.01 -43.87 70.44 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.814 1.646 . . . . 0.0 111.122 165.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.262 53.3 m -64.57 -44.61 90.16 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 119.894 -1.754 . . . . 0.0 113.579 174.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -46.46 -58.08 4.09 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.553 0.615 . . . . 0.0 111.256 162.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -50.8 -48.45 59.57 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -57.51 -41.67 81.26 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.398 -1.439 . . . . 0.0 113.089 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.15 -45.21 74.17 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.256 0.934 . . . . 0.0 112.569 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -49.74 -34.11 18.09 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.267 -1.521 . . . . 0.0 112.249 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -90.02 20.94 3.93 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 120.323 -1.485 . . . . 0.0 112.668 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -121.86 -25.14 5.07 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.683 1.993 . . . . 0.0 113.311 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -75.2 58.09 0.9 Allowed 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -164.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.97 92.11 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.871 2.915 . . . . 0.0 118.871 162.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.534 HD22 ' CD1' ' A' ' 79' ' ' TYR . 20.7 tp -88.81 114.32 25.31 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 119.789 -1.819 . . . . 0.0 112.717 165.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -81.66 -36.9 28.28 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.443 1.497 . . . . 0.0 113.826 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 . . . . . 0 N--CA 1.479 1.012 0 C-N-CA 126.691 1.996 . . . . 0.0 116.331 169.591 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 121.07 0.462 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -70.34 -179.25 1.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.632 0.729 . . . . 0.0 111.409 162.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.74 30.81 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -162.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -64.27 -46.56 83.14 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.426 -1.421 . . . . 0.0 112.789 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -68.73 -32.09 71.63 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.574 -1.329 . . . . 0.0 113.005 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -45.22 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 119.648 -1.908 . . . . 0.0 111.427 171.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.46 -30.07 69.69 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.984 0.897 . . . . 0.0 112.315 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -42.48 40.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 120.326 -1.483 . . . . 0.0 112.12 173.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.01 -36.61 8.03 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.29 -0.881 . . . . 0.0 112.381 162.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . 0.259 0.0 OUTLIER -66.62 -46.42 75.92 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.506 -0.746 . . . . 0.0 110.872 173.322 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.07 -42.84 63.5 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.504 -1.372 . . . . 0.0 111.145 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.627 ' CE1' HD12 ' B' ' 124' ' ' LEU . 52.8 m-85 -61.77 -58.96 5.98 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 172.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.33 -27.7 42.1 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.369 1.44 . . . . 0.0 114.067 -170.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.49 -18.86 54.44 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.218 -1.551 . . . . 0.0 112.141 158.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -100.22 7.66 44.32 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.434 -1.416 . . . . 0.0 114.582 164.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 p30 47.95 32.53 2.87 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 129.749 3.22 . . . . 0.0 115.665 -170.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.5 mt -87.48 117.98 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 125.183 1.393 . . . . 0.0 111.435 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -71.74 139.03 48.92 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.136 -0.977 . . . . 0.0 110.743 166.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.2 128.9 24.83 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 126.039 1.736 . . . . 0.0 108.876 172.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.19 140.82 71.34 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.28 1.987 . . . . 0.0 113.066 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.8 t -39.82 -47.92 2.18 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.655 1.582 . . . . 0.0 111.568 162.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.42 -47.69 62.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.345 1.058 . . . . 0.0 113.443 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 mm -57.82 -48.17 84.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 120.657 -1.277 . . . . 0.0 109.946 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.1 -45.21 99.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 O-C-N 121.598 -0.689 . . . . 0.0 110.121 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -50.71 -50.76 54.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.225 1.81 . . . . 0.0 112.331 173.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -63.62 -69.2 0.29 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.164 0.985 . . . . 0.0 109.723 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -43.2 69.13 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.792 1.637 . . . . 0.0 113.528 -168.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.85 -33.17 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 O-C-N 120.386 -1.446 . . . . 0.0 112.617 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -54.75 6.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.922 0.889 . . . . 0.0 110.265 165.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 48.54 0.43 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 128.396 2.678 . . . . 0.0 113.316 -174.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.2 ttm105 -73.98 88.28 1.86 Allowed 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.707 -1.245 . . . . 0.0 112.739 -171.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.87 161.4 15.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.136 0.975 . . . . 0.0 110.615 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.18 -62.55 1.59 Allowed 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.815 -1.178 . . . . 0.0 110.429 -158.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.5 t -82.04 148.54 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.088 0.955 . . . . 0.0 112.591 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -39.24 -40.82 0.8 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.13 0.972 . . . . 0.0 112.59 159.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -58.15 -53.22 60.68 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.464 0.65 . . . . 0.0 111.108 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.93 -50.4 73.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.745 -0.597 . . . . 0.0 110.869 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.1 m -62.52 -37.93 80.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.919 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.291 0.9 OUTLIER -68.14 -36.46 79.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 120.457 1.48 . . . . 0.0 112.806 174.861 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.14 -55.67 29.68 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.796 0.808 . . . . 0.0 110.178 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.9 -51.94 67.54 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.834 0.854 . . . . 0.0 112.154 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -53.5 -52.98 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 O-C-N 121.441 -0.787 . . . . 0.0 110.588 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.9 -38.37 67.52 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.857 -1.152 . . . . 0.0 112.096 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.9 m -61.77 -59.19 5.53 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.585 -0.697 . . . . 0.0 112.509 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.41 -36.63 78.6 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 120.635 -1.291 . . . . 0.0 111.795 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -60.14 -30.54 69.36 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 119.914 -1.741 . . . . 0.0 111.99 169.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.2 m -75.7 -40.36 55.94 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.741 -1.224 . . . . 0.0 113.03 172.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -46.87 -54.38 10.06 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.142 0.883 . . . . 0.0 110.382 159.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -54.71 -43.53 72.64 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 175.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -48.29 -53.63 16.61 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.458 1.481 . . . . 0.0 111.049 170.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.92 -51.41 70.14 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.85 -0.531 . . . . 0.0 112.234 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -63.95 -14.42 53.64 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.801 -1.187 . . . . 0.0 113.942 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.3 -18.97 22.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 119.74 -1.85 . . . . 0.0 114.154 167.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -89.14 -47.19 8.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.963 2.105 . . . . 0.0 113.029 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -53.1 150.58 5.65 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -170.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.48 136.18 45.88 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.384 1.874 . . . . 0.0 115.385 -171.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.3 tp -126.24 125.63 42.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.021 1.328 . . . . 0.0 110.198 160.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.11 34.6 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.703 1.601 . . . . 0.0 114.952 177.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 126.613 1.965 . . . . 0.0 113.227 -178.314 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 121.185 0.516 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.6 p -75.55 178.99 5.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.659 0.784 . . . . 0.0 111.158 167.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.69 -54.42 42.06 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -157.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.8 p -62.74 -50.61 70.41 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.874 -1.141 . . . . 0.0 112.917 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 pm0 -63.98 -42.45 97.22 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.536 -1.353 . . . . 0.0 112.476 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -38.16 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 O-C-N 120.029 -1.669 . . . . 0.0 111.952 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.33 -52.93 42.14 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.72 0.772 . . . . 0.0 111.267 175.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.87 -35.95 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 120.933 -1.104 . . . . 0.0 111.485 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -41.71 76.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.428 1.091 . . . . 0.0 112.387 169.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.46 -51.73 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.481 -0.762 . . . . 0.0 109.686 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.8 mt -49.49 -43.46 45.28 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.389 -0.819 . . . . 0.0 112.941 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -53.27 -53.3 52.85 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.069 1.304 . . . . 0.0 112.502 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.67 -43.56 96.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.562 0.745 . . . . 0.0 111.695 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -53.83 -40.55 66.52 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.376 1.084 . . . . 0.0 110.758 167.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -8.1 54.45 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 173.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 66.3 56.22 0.81 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 128.058 2.543 . . . . 0.0 112.674 -171.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.5 mt -126.31 119.88 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.764 1.226 . . . . 0.0 110.912 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -75.89 138.97 41.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.285 161.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 mm -95.43 130.47 32.06 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 125.205 1.402 . . . . 0.0 110.086 170.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.91 131.67 43.48 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.561 2.174 . . . . 0.0 111.415 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.0 m -45.42 -46.04 13.17 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.183 1.393 . . . . 0.0 112.064 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -43.09 -43.24 4.33 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.2 mm -56.98 -54.88 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 O-C-N 120.607 -1.308 . . . . 0.0 109.883 173.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.16 -42.23 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 123.942 0.897 . . . . 0.0 111.449 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -52.13 -53.1 46.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.413 1.885 . . . . 0.0 112.158 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -68.67 -63.56 1.04 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.926 1.691 . . . . 0.0 112.274 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.05 -48.07 11.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.534 2.334 . . . . 0.0 113.878 -164.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 94.1 t -54.03 -37.95 36.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 O-C-N 121.422 -0.798 . . . . 0.0 112.948 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -74.08 -44.83 52.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.065 0.946 . . . . 0.0 111.869 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -52.87 -38.21 61.31 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.048 0.928 . . . . 0.0 110.935 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? 62.5 43.09 8.09 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.992 1.317 . . . . 0.0 114.228 161.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.16 160.66 17.9 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.391 -0.818 . . . . 0.0 112.223 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -82.52 -63.63 1.33 Allowed 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.294 -0.879 . . . . 0.0 111.212 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 25.2 p -104.66 164.88 11.44 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -169.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -50.0 -41.42 47.06 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.181 1.792 . . . . 0.0 111.449 172.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -62.12 -43.67 98.31 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.401 -0.812 . . . . 0.0 112.135 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.06 -50.36 62.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.751 -0.593 . . . . 0.0 110.796 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 17.9 m -63.19 -42.08 95.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.788 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.07 -41.58 97.28 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.106 1.321 . . . . 0.0 111.712 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . 0.285 5.9 p30 -73.96 -43.16 59.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.969 1.259 . . . . 0.0 113.09 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -60.01 -51.85 67.91 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.422 -0.799 . . . . 0.0 111.717 172.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 77.3 mt -51.88 -53.25 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 O-C-N 121.39 -0.819 . . . . 0.0 109.966 176.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.19 -36.57 70.98 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.082 -1.011 . . . . 0.0 112.93 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 67.6 m -61.52 -56.75 16.59 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.253 -0.904 . . . . 0.0 112.177 171.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.72 -34.34 72.79 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.823 -1.173 . . . . 0.0 112.274 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -68.55 -20.89 64.56 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.509 1.923 . . . . 0.0 111.902 172.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.29 76.8 m -80.03 -47.44 14.9 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 119.069 -2.269 . . . . 0.0 112.674 170.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -47.57 -51.62 20.36 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.331 0.514 . . . . 0.0 112.078 161.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -56.61 -49.85 73.71 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.301 13.0 pttm -52.98 -42.43 65.53 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 121.142 1.792 . . . . 0.0 113.228 170.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.88 -47.32 83.09 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.871 1.214 . . . . 0.0 112.469 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -62.49 -30.22 71.11 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.03 -1.669 . . . . 0.0 113.474 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -73.72 -20.46 60.51 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 119.425 -2.047 . . . . 0.0 113.092 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -94.52 -51.4 4.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.702 2.401 . . . . 0.0 113.449 -175.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -41.91 139.64 1.23 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.096 1.758 . . . . 0.0 115.699 -168.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 127.11 22.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.901 1.281 . . . . 0.0 114.426 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' A' ' 79' ' ' TYR . 1.1 tt -111.37 111.19 22.06 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 158.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.41 1.21 3.17 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -171.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.437 ' NH2' HD13 ' B' ' 124' ' ' LEU . 11.9 mmp_? . . . . . 0 CA--C 1.545 0.771 0 C-N-CA 126.239 1.816 . . . . 0.0 113.863 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 121.717 0.77 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -62.39 163.11 9.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.6 1.96 . . . . 0.0 111.347 170.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.28 -52.79 41.86 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -169.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.3 p -62.51 -48.06 81.21 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.444 -1.41 . . . . 0.0 113.372 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -63.29 -44.85 93.86 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.038 -1.039 . . . . 0.0 111.913 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -44.12 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 120.699 -1.25 . . . . 0.0 111.549 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.43 86.36 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.038 0.923 . . . . 0.0 111.557 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.8 t -74.65 -39.38 46.69 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 O-C-N 120.907 -1.12 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -40.85 29.66 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.121 -0.987 . . . . 0.0 113.068 161.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.53 -49.73 45.14 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.786 -0.571 . . . . 0.0 109.862 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.7 mt -50.64 -44.19 57.3 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.751 -1.218 . . . . 0.0 112.081 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -51.1 -52.81 40.01 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.087 -1.008 . . . . 0.0 112.601 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -76.76 -26.7 54.83 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 120.273 1.397 . . . . 0.0 114.247 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -56.57 -25.88 53.7 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 119.601 -1.937 . . . . 0.0 111.712 158.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.43 3.67 55.0 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 170.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 37.83 67.75 0.36 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.212 2.605 . . . . 0.0 115.395 -156.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.2 mt -121.32 110.93 29.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 125.063 1.345 . . . . 0.0 111.022 170.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -72.97 148.39 44.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 120.024 -0.67 . . . . 0.0 109.58 166.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mm -114.3 126.05 28.47 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 124.774 1.23 . . . . 0.0 109.734 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.76 130.04 37.82 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.247 1.965 . . . . 0.0 111.153 172.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 m -44.49 -38.94 4.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.462 1.105 . . . . 0.0 113.639 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.46 -43.94 17.02 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 171.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.9 mm -56.09 -55.38 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.137 -0.977 . . . . 0.0 109.922 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.35 -41.93 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 124.219 1.007 . . . . 0.0 111.051 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -46.34 -59.13 3.13 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.065 1.346 . . . . 0.0 111.456 172.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -71.21 -49.72 40.57 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.741 0.817 . . . . 0.0 112.232 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -47.16 -54.08 11.51 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.216 -0.928 . . . . 0.0 111.526 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.6 t -59.48 -34.84 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 174.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -58.73 -46.6 87.03 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 120.026 -1.671 . . . . 0.0 111.764 169.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -81.73 -68.48 0.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 63.22 89.62 0.09 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 128.563 2.745 . . . . 0.0 112.062 -168.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.88 175.47 8.02 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.47 0.653 . . . . 0.0 112.595 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -58.17 -39.9 80.06 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.341 -0.849 . . . . 0.0 112.945 -163.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 p -169.29 174.91 5.84 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.125 0.97 . . . . 0.0 112.082 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 3.1 mp0 -35.58 -54.54 0.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 129.527 3.131 . . . . 0.0 113.204 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.55 -43.44 98.8 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.349 -0.844 . . . . 0.0 111.838 -178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.26 -39.45 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.447 -0.783 . . . . 0.0 112.298 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.05 -48.98 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.963 172.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 4.0 pp -61.69 -35.26 77.49 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.632 -1.292 . . . . 0.0 112.872 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -55.98 -59.51 4.8 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.62 -1.3 . . . . 0.0 111.561 170.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.56 -52.98 63.19 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.229 1.012 . . . . 0.0 111.462 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.8 mt -53.16 -51.89 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.839 0.856 . . . . 0.0 111.188 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.96 -38.87 73.58 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.305 -1.497 . . . . 0.0 112.251 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.4 m -58.72 -59.04 6.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.384 0.674 . . . . 0.0 111.563 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.36 -34.67 69.06 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.92 -1.112 . . . . 0.0 113.641 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -72.01 -22.18 61.45 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.255 1.822 . . . . 0.0 111.512 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.261 99.4 m -79.64 -41.67 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 119.7 -1.875 . . . . 0.0 112.359 169.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -48.08 -59.82 3.09 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.579 0.627 . . . . 0.0 111.106 158.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -51.73 -46.22 63.92 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.252 14.1 pttm -60.12 -48.24 82.55 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.4 -1.437 . . . . 0.0 114.121 169.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.15 -46.97 84.7 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.482 1.492 . . . . 0.0 112.838 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -44.28 -54.6 5.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.844 1.658 . . . . 0.0 111.152 164.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -66.02 -26.99 67.78 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.215 -1.553 . . . . 0.0 113.707 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -69.99 -19.67 63.33 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.755 1.622 . . . . 0.0 112.915 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -56.04 130.07 42.47 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.898 -1.126 . . . . 0.0 113.219 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 141.94 22.15 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 170.304 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.682 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.1 OUTLIER -127.6 122.39 33.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.521 1.528 . . . . 0.0 109.064 155.137 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -72.01 24.41 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 126.327 1.851 . . . . 0.0 114.311 178.364 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.42 ' HB3' HG22 ' B' ' 73' ' ' VAL . 96.4 mt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 47.7 m -122.94 -168.25 1.72 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.696 1.998 . . . . 0.0 112.272 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.72 -74.12 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 -157.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.58 -43.67 93.12 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -173.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 -65.93 -35.66 81.21 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.023 -1.048 . . . . 0.0 112.626 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' B' ' 68' ' ' LEU . 76.7 t -64.96 -49.69 78.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.194 -0.941 . . . . 0.0 110.94 172.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.93 82.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 122.401 1.096 . . . . 0.0 111.097 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.47 -33.02 60.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.082 -1.011 . . . . 0.0 111.837 175.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.67 -29.24 69.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 168.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -78.04 -45.35 23.87 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.796 -0.565 . . . . 0.0 110.199 172.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 46.5 mt -50.7 -41.27 55.8 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 119.257 -2.152 . . . . 0.0 111.03 169.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.682 ' CE1' HD12 ' A' ' 124' ' ' LEU . 16.1 m-85 -58.22 -58.04 10.24 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 120.935 -1.103 . . . . 0.0 113.798 166.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -78.57 -32.94 47.95 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 120.137 1.335 . . . . 0.0 113.51 -165.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -43.96 -47.63 8.56 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.03 -1.669 . . . . 0.0 111.009 154.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -79.79 3.2 20.26 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.075 1.35 . . . . 0.0 113.0 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 42.05 58.06 3.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.43 3.092 . . . . 0.0 115.072 -164.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.53 HG23 ' NH2' ' B' ' 113' ' ' ARG . 21.3 mt -108.24 112.46 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.556 1.143 . . . . 0.0 111.663 170.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 50.6 ttp85 -86.81 115.27 24.12 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.162 -0.961 . . . . 0.0 109.796 166.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.35 132.91 89.45 Favored Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 120.548 -1.345 . . . . 0.0 111.45 173.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.53 135.88 29.65 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.844 1.696 . . . . 0.0 109.324 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 33.6 p -49.41 -38.62 29.65 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.595 1.958 . . . . 0.0 114.548 -171.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -44.19 -51.47 8.14 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.492 1.117 . . . . 0.0 113.162 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 mm -48.81 -52.31 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 121.982 0.896 . . . . 0.0 110.459 172.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -65.8 -42.54 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.65 -171.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -48.25 -70.24 0.1 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.506 0.593 . . . . 0.0 110.867 169.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -53.03 -51.82 60.46 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 122.682 1.229 . . . . 0.0 110.388 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' B' ' 108' ' ' TYR . 0.7 OUTLIER -58.79 -43.73 90.53 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.32 -0.863 . . . . 0.0 112.944 -178.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.5 t -58.06 -35.79 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 121.156 -0.965 . . . . 0.0 112.703 171.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -66.38 -63.86 0.98 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.33 0.968 . . . . 0.0 112.407 169.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -65.96 -43.57 87.53 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.221 -0.925 . . . . 0.0 112.893 -171.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 57.15 72.47 0.51 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 168.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.23 171.7 1.28 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.799 1.285 . . . . 0.0 114.339 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.86 -66.12 0.59 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 120.743 -1.223 . . . . 0.0 110.344 -164.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.37 173.46 11.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.177 0.991 . . . . 0.0 113.046 -167.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.3 mp0 -44.65 -54.64 5.96 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 127.502 2.321 . . . . 0.0 112.499 -170.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.6 -39.88 77.86 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.502 -0.749 . . . . 0.0 111.617 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -69.32 -50.82 43.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.843 -0.536 . . . . 0.0 111.342 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 34.7 m -64.06 -37.45 79.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 C-N-CA 119.18 -1.008 . . . . 0.0 111.035 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.74 -39.36 76.82 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.358 1.436 . . . . 0.0 112.578 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -46.28 84.74 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.375 0.989 . . . . 0.0 111.176 175.448 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 108' ' ' TYR . . . . . 0.404 ' CD1' HD23 ' B' ' 94' ' ' LEU . 57.4 t80 -58.64 -55.62 32.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.476 0.71 . . . . 0.0 112.122 175.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.8 mt -51.12 -54.52 10.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 124.063 0.945 . . . . 0.0 110.86 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -31.56 72.77 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.168 -0.957 . . . . 0.0 111.876 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -61.95 -58.6 7.28 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.091 -1.005 . . . . 0.0 113.142 168.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -57.33 -35.74 70.25 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.397 -1.439 . . . . 0.0 111.212 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.53 ' NH2' HG23 ' B' ' 84' ' ' ILE . 19.8 ttt85 -68.46 -30.59 69.49 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 119.775 -1.828 . . . . 0.0 112.121 174.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.2 m -68.37 -43.61 77.02 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.038 1.335 . . . . 0.0 112.492 168.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -47.84 -53.57 15.15 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.582 0.628 . . . . 0.0 110.15 162.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -54.91 -40.69 70.1 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -50.74 -58.03 6.91 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 120.611 1.55 . . . . 0.0 110.643 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.14 -45.48 91.71 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.863 0.839 . . . . 0.0 111.983 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -53.62 -39.95 65.36 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.8 -1.187 . . . . 0.0 112.083 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -74.29 -17.24 60.88 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.245 -1.534 . . . . 0.0 114.448 172.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -80.8 -38.15 28.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.374 1.87 . . . . 0.0 111.955 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -47.26 149.9 0.95 Allowed 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 134.09 36.36 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.222 1.809 . . . . 0.0 114.738 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 15.7 tp -112.54 119.38 37.98 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.724 0.81 . . . . 0.0 109.243 152.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.44 27.62 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.449 1.899 . . . . 0.0 115.765 -176.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? . . . . . 0 CA--C 1.542 0.65 0 C-N-CA 126.699 1.999 . . . . 0.0 113.523 -176.718 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.354 6.8 mp . . . . . 0 CA--C 1.548 0.886 0 CA-C-O 122.728 1.252 . . . . 0.0 111.876 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.9 t -83.83 -172.03 3.93 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.702 2.001 . . . . 0.0 111.704 161.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.09 -58.85 5.31 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -170.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.4 p -63.57 -49.35 73.73 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.375 -0.828 . . . . 0.0 113.098 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 pm0 -69.12 -33.21 73.1 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.887 -1.133 . . . . 0.0 112.568 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.37 -48.44 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 120.764 -1.21 . . . . 0.0 111.008 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.4 -39.92 70.77 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.151 0.977 . . . . 0.0 111.237 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.251 8.6 t -71.89 -33.84 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 O-C-N 121.532 -0.73 . . . . 0.0 112.653 176.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.09 -33.64 76.23 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 168.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -70.06 -50.49 40.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.598 -0.689 . . . . 0.0 109.202 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -52.05 -45.15 64.58 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.603 -1.311 . . . . 0.0 111.386 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -49.43 -49.09 46.61 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.077 -1.014 . . . . 0.0 112.798 170.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -83.42 -29.88 27.77 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.12 -17.81 20.86 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 119.198 -2.189 . . . . 0.0 112.174 154.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.83 -1.62 45.76 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 165.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 47.63 59.78 3.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 130.019 3.328 . . . . 0.0 114.508 -164.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.4 mt -112.62 98.39 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 124.389 1.076 . . . . 0.0 111.234 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.2 73.46 7.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.055 176.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.5 mm -32.1 129.15 0.32 Allowed Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 126.665 1.986 . . . . 0.0 113.631 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -71.69 139.11 33.25 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.902 1.735 . . . . 0.0 109.74 170.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.0 p -48.46 -42.14 31.62 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 125.878 1.671 . . . . 0.0 112.905 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.71 -49.54 4.27 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 172.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 mm -49.32 -55.63 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.923 0.868 . . . . 0.0 109.618 172.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.8 mt -64.98 -40.3 88.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.443 0.697 . . . . 0.0 110.708 -174.07 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.57 -59.28 4.2 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.608 1.563 . . . . 0.0 110.223 177.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.25 -56.45 14.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.294 -0.879 . . . . 0.0 111.712 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -48.13 76.12 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -168.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.25 -31.07 36.8 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.647 1.179 . . . . 0.0 113.256 172.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -51.13 17.15 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.569 -0.707 . . . . 0.0 111.721 171.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -59.75 -52.58 64.89 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.872 0.869 . . . . 0.0 112.905 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 59.78 68.64 0.77 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.778 1.231 . . . . 0.0 113.327 -177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.02 158.4 13.57 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.908 -0.495 . . . . 0.0 110.56 166.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -79.17 -60.46 2.37 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.015 0.912 . . . . 0.0 111.229 -167.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.5 t -81.42 139.75 35.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.885 0.85 . . . . 0.0 113.268 -171.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -33.42 -49.85 0.3 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.132 1.773 . . . . 0.0 112.08 155.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -68.12 -36.27 79.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.394 -1.441 . . . . 0.0 112.777 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.01 -45.93 76.05 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.496 -0.753 . . . . 0.0 111.629 177.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.3 m -63.16 -43.24 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 118.983 0.81 . . . . 0.0 110.084 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.6 pp -67.32 -37.94 84.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 118.382 -1.327 . . . . 0.0 113.002 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -55.81 -58.37 8.15 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.265 -0.897 . . . . 0.0 111.349 172.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -54.97 -55.19 33.48 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.419 1.087 . . . . 0.0 111.967 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.17 -53.56 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.802 -0.561 . . . . 0.0 111.054 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -52.65 -44.42 66.13 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.645 -1.284 . . . . 0.0 112.357 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 m -56.53 -53.33 58.83 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.45 -0.781 . . . . 0.0 111.889 172.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -66.56 -31.25 71.84 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.867 -1.146 . . . . 0.0 113.858 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -60.57 -28.06 68.17 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 119.967 -1.708 . . . . 0.0 111.364 165.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.32 44.7 m -80.3 -40.07 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 119.866 -1.771 . . . . 0.0 114.297 174.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -47.63 -55.3 9.65 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.28 0.946 . . . . 0.0 110.796 157.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -52.81 -44.07 66.37 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -53.52 -52.14 60.57 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.108 -0.995 . . . . 0.0 112.886 170.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.77 -42.07 98.51 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 121.994 0.902 . . . . 0.0 112.021 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.5 -29.39 69.95 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.202 -1.561 . . . . 0.0 112.895 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -77.79 1.99 18.48 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 119.862 -1.774 . . . . 0.0 113.479 171.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -127.3 -20.49 4.06 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.434 1.894 . . . . 0.0 113.774 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -71.35 35.75 0.05 Allowed 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 118.314 2.709 . . . . 0.0 118.314 -162.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.18 124.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.597 2.359 . . . . 0.0 117.277 168.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.97 124.65 35.59 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.591 1.556 . . . . 0.0 109.785 159.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.59 33.94 0.11 Allowed 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.553 -1.342 . . . . 0.0 114.079 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.453 HH22 ' CD ' ' B' ' 110' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 127.051 2.14 . . . . 0.0 114.268 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t -85.1 -175.75 5.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.554 0.742 . . . . 0.0 111.449 163.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -61.77 2.1 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -158.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 7.9 p -57.65 -45.96 84.81 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.421 -1.425 . . . . 0.0 113.4 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -68.62 -42.29 78.31 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.021 -1.049 . . . . 0.0 111.459 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.32 -40.31 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 120.615 -1.303 . . . . 0.0 111.53 175.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.1 99.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.999 0.904 . . . . 0.0 111.499 174.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -72.68 -35.3 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 O-C-N 120.653 -1.28 . . . . 0.0 112.585 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -39.99 58.45 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.417 1.087 . . . . 0.0 113.055 161.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.49 -49.96 42.98 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.873 -0.517 . . . . 0.0 109.892 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.54 -44.8 66.02 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.353 -1.467 . . . . 0.0 111.81 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -52.7 -49.29 65.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.536 171.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.26 64.9 mm-40 -79.84 -29.64 40.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 121.366 1.894 . . . . 0.0 114.478 -177.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -52.81 -28.85 24.51 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 119.856 -1.778 . . . . 0.0 111.195 155.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 29.6 m -95.75 1.58 53.43 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 171.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 40.17 69.12 0.34 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.454 2.302 . . . . 0.0 116.75 -160.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -122.19 105.2 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 126.122 1.769 . . . . 0.0 111.835 168.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.4 110.71 18.84 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 120.054 -1.654 . . . . 0.0 110.691 -177.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 33.3 mm -70.3 132.06 88.14 Favored Pre-proline 0 CA--C 1.551 1.016 0 O-C-N 118.814 -2.429 . . . . 0.0 112.225 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.477 ' CD ' HH12 ' B' ' 113' ' ' ARG . 59.1 Cg_endo -77.42 136.52 15.82 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.163 2.575 . . . . 0.0 109.394 168.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -44.39 -40.67 5.59 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 128.717 2.807 . . . . 0.0 113.537 -176.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.61 -37.91 42.87 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 21.0 mm -55.62 -53.0 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 O-C-N 121.004 -1.06 . . . . 0.0 109.933 170.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.63 -45.18 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.874 -168.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -35.72 -59.2 0.58 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.649 1.979 . . . . 0.0 111.879 171.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.4 -62.95 1.19 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.723 1.209 . . . . 0.0 110.874 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' B' ' 108' ' ' TYR . 1.2 tm? -52.55 -42.08 64.11 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.84 1.256 . . . . 0.0 113.349 -164.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 72.0 t -48.17 -41.26 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 O-C-N 121.246 -0.909 . . . . 0.0 112.862 173.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -74.05 -42.87 59.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.33 1.052 . . . . 0.0 112.464 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -71.38 67.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.329 1.452 . . . . 0.0 110.663 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -67.21 77.88 0.15 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.291 1.436 . . . . 0.0 113.52 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.62 173.05 2.96 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.604 0.761 . . . . 0.0 111.936 172.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -71.19 -43.89 66.52 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.614 -0.679 . . . . 0.0 112.754 -168.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 4.4 p -168.6 175.24 6.27 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -170.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 3.0 mp0 -33.06 -56.51 0.39 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 130.201 3.4 . . . . 0.0 114.338 178.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -57.93 -47.36 83.09 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.881 -1.137 . . . . 0.0 111.414 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -69.11 -38.42 78.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.913 -0.492 . . . . 0.0 111.715 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.63 -39.28 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.795 173.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.269 1.1 pp -64.11 -40.4 96.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 121.269 1.849 . . . . 0.0 111.121 176.004 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -53.77 -57.47 10.77 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.431 -0.793 . . . . 0.0 110.716 172.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' TYR . . . . . 0.5 ' CD1' HD23 ' B' ' 94' ' ' LEU . 46.9 t80 -56.49 -58.4 8.17 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.565 -0.709 . . . . 0.0 112.309 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 83.9 mt -49.36 -46.55 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 123.768 0.827 . . . . 0.0 111.374 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' GLU . . . . . 0.453 ' CD ' HH22 ' A' ' 126' ' ' ARG . 56.2 mt-10 -66.79 -36.7 83.01 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 68.9 p -61.25 -51.74 67.66 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 120.535 -1.353 . . . . 0.0 112.082 168.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -67.34 -28.75 68.24 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.666 -1.271 . . . . 0.0 112.541 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.477 HH12 ' CD ' ' B' ' 87' ' ' PRO . 2.0 ttt85 -65.9 -29.78 70.26 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.04 -1.663 . . . . 0.0 111.48 167.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 92.5 m -75.22 -35.48 61.47 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.976 -1.078 . . . . 0.0 113.238 170.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -51.93 -56.46 13.99 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.365 0.984 . . . . 0.0 110.399 157.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -54.7 -41.85 70.76 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -60.69 -45.33 94.59 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.698 -1.251 . . . . 0.0 111.536 172.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.14 -48.36 76.33 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.188 0.904 . . . . 0.0 112.697 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -51.26 -41.91 60.71 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.549 -1.344 . . . . 0.0 111.568 171.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -79.44 -9.14 59.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 173.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -82.44 -32.93 28.72 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.24 1.816 . . . . 0.0 111.487 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -47.62 122.02 4.5 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.76 130.81 42.14 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.368 2.267 . . . . 0.0 114.434 172.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 26.8 tp -99.02 113.84 26.22 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.54 1.064 . . . . 0.0 109.933 149.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -69.69 -29.96 67.5 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.034 0.934 . . . . 0.0 112.677 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.412 ' HE ' ' C ' ' B' ' 126' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 C-N-CA 127.323 2.249 . . . . 0.0 115.282 173.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 CA--C 1.544 0.724 0 CA-C-O 121.921 0.867 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -113.74 -177.93 3.25 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.472 1.509 . . . . 0.0 112.175 170.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -30.61 -65.16 0.12 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.693 1.997 . . . . 0.0 116.22 -170.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.7 p -65.17 -57.57 8.22 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -57.38 -42.49 82.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.132 -0.98 . . . . 0.0 112.047 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.77 -47.67 92.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 120.901 -1.124 . . . . 0.0 111.35 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.79 70.21 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.749 0.785 . . . . 0.0 112.392 177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.8 t -75.5 -45.4 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 O-C-N 121.081 -1.012 . . . . 0.0 112.151 174.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.95 -42.05 65.08 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.423 1.489 . . . . 0.0 113.45 169.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.68 -54.18 46.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.566 0.698 . . . . 0.0 109.159 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.67 -35.61 70.8 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.777 -0.577 . . . . 0.0 112.489 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CD1' HD22 ' B' ' 124' ' ' LEU . 15.2 m-85 -55.13 -59.51 4.67 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.167 0.894 . . . . 0.0 111.97 168.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -70.88 -28.55 64.64 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 120.057 1.299 . . . . 0.0 112.537 -173.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -55.74 -39.59 71.34 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.405 -1.434 . . . . 0.0 112.344 160.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.4 p -80.63 5.77 14.59 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 170.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 57.98 42.5 22.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.396 2.278 . . . . 0.0 113.174 -173.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.2 mt -105.54 104.3 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 124.565 1.146 . . . . 0.0 112.363 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -69.26 142.74 54.09 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.872 0.844 . . . . 0.0 111.724 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.1 mm -108.59 120.47 46.22 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.253 1.421 . . . . 0.0 110.202 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.82 134.79 26.49 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 121.778 1.652 . . . . 0.0 109.961 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -34.1 -56.01 0.49 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.755 2.422 . . . . 0.0 114.391 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -32.14 -50.39 0.22 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.209 1.803 . . . . 0.0 114.404 173.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.2 mm -53.22 -55.02 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 O-C-N 120.781 -1.199 . . . . 0.0 111.028 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.25 -46.18 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 C-N-CA 124.277 1.031 . . . . 0.0 111.355 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -50.27 -49.76 52.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.12 1.768 . . . . 0.0 112.212 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -70.36 -61.23 1.85 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.375 1.47 . . . . 0.0 111.507 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.82 -42.98 48.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.289 1.436 . . . . 0.0 113.972 -165.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.6 t -49.94 -39.97 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 O-C-N 121.401 -0.812 . . . . 0.0 112.729 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -72.32 -44.48 62.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.037 0.935 . . . . 0.0 111.85 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -56.23 -40.45 74.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.222 1.009 . . . . 0.0 111.799 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? 63.14 44.62 5.64 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 157.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.94 169.23 17.32 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.183 -0.948 . . . . 0.0 113.425 -171.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -80.04 -58.96 2.91 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 120.821 -1.174 . . . . 0.0 112.075 -168.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.4 p -115.55 168.2 10.21 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -171.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -46.05 -42.23 13.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.47 1.108 . . . . 0.0 113.15 169.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -64.61 -45.98 84.61 Favored 'General case' 0 C--O 1.222 -0.391 0 O-C-N 121.148 -0.97 . . . . 0.0 111.073 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.43 -46.44 79.93 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.919 -1.113 . . . . 0.0 111.259 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.98 -42.4 94.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.406 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.016 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.94 -39.33 93.35 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.404 1.456 . . . . 0.0 112.24 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -60.21 -56.85 16.55 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.092 0.86 . . . . 0.0 110.461 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -58.56 -51.4 70.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.798 0.439 . . . . 0.0 111.648 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.84 -54.63 15.44 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 O-C-N 121.535 -0.728 . . . . 0.0 110.837 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -30.47 71.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.982 -1.074 . . . . 0.0 111.923 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.4 m -61.87 -58.62 7.26 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.663 -1.273 . . . . 0.0 112.659 169.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.73 -34.16 75.32 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.276 -1.515 . . . . 0.0 111.7 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -63.94 -33.84 76.63 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 119.551 -1.968 . . . . 0.0 111.536 171.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 97.9 m -62.93 -44.86 94.94 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.116 -0.99 . . . . 0.0 112.376 167.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -47.3 -56.68 6.34 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.614 0.643 . . . . 0.0 110.892 164.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -54.38 -41.08 68.8 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 174.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -51.11 -55.27 18.6 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.67 -1.269 . . . . 0.0 109.295 170.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.66 -45.63 88.93 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.911 0.884 . . . . 0.0 113.007 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.495 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 73.8 mm-40 -53.07 -45.56 68.2 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.587 -1.321 . . . . 0.0 111.961 173.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -75.13 -20.13 59.56 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.76 -43.4 37.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.698 1.599 . . . . 0.0 112.349 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.495 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 47.3 mtmt -53.07 144.19 15.89 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -172.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -60.97 136.65 58.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.394 2.278 . . . . 0.0 114.533 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.5 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.5 OUTLIER -114.02 121.66 44.55 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 153.336 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.46 -9.38 12.46 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' H ' HD22 ' A' ' 124' ' ' LEU . 26.4 mmt85 . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 125.947 1.699 . . . . 0.0 112.635 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.541 0.624 0 CA-C-O 122.822 1.296 . . . . 0.0 112.649 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -96.29 170.76 9.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.331 2.653 . . . . 0.0 111.683 169.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.26 -66.22 0.13 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.055 1.742 . . . . 0.0 115.446 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.6 p -60.73 -56.37 22.11 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -61.28 -38.07 85.45 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.336 1.426 . . . . 0.0 112.174 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.63 -46.39 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.244 -0.91 . . . . 0.0 111.704 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.06 74.99 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.975 0.893 . . . . 0.0 110.901 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.495 HG12 ' CE2' ' B' ' 79' ' ' TYR 0.287 7.4 t -78.32 -27.76 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 O-C-N 121.317 -0.864 . . . . 0.0 112.685 177.535 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.62 -37.63 73.61 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.03 -1.669 . . . . 0.0 112.857 166.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.41 -52.12 62.9 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' LEU . . . . . 0.438 ' HB3' HD21 ' A' ' 124' ' ' LEU . 96.0 mt -49.71 -43.01 47.3 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.626 -0.671 . . . . 0.0 112.226 172.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.5 ' CE1' HD12 ' A' ' 124' ' ' LEU . 27.9 m-85 -57.25 -66.4 0.46 Allowed 'General case' 0 C--O 1.239 0.501 0 O-C-N 120.467 -1.395 . . . . 0.0 113.51 170.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.58 -42.96 67.14 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.442 -0.786 . . . . 0.0 111.507 -167.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -57.93 -39.0 76.93 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.905 -1.122 . . . . 0.0 112.345 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 45.3 t -60.23 -50.21 74.54 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 120.777 -1.202 . . . . 0.0 111.228 171.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.252 26.7 p-10 123.81 40.82 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 130.658 3.583 . . . . 0.0 112.941 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 40.7 mt -116.83 119.87 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 126.632 1.973 . . . . 0.0 110.77 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -80.64 145.99 31.39 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.213 0.53 . . . . 0.0 110.954 164.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 mm -106.72 133.91 20.06 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 125.168 1.387 . . . . 0.0 112.403 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.45 133.57 46.67 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.765 2.31 . . . . 0.0 112.786 165.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.6 p -44.96 -56.28 4.74 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.688 1.995 . . . . 0.0 113.28 172.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -36.08 -56.97 0.72 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.078 1.751 . . . . 0.0 114.511 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 pt -65.38 -37.26 79.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 O-C-N 120.742 -1.224 . . . . 0.0 113.035 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -56.75 -46.86 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 119.866 1.212 . . . . 0.0 111.053 173.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -53.95 -63.66 1.08 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.672 0.789 . . . . 0.0 111.263 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.59 -45.48 93.81 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.839 -1.163 . . . . 0.0 110.754 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.71 -51.31 50.91 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.006 -1.059 . . . . 0.0 112.842 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.24 -39.44 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 120.962 -1.087 . . . . 0.0 113.554 174.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.86 -53.87 47.51 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.731 0.812 . . . . 0.0 112.957 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -51.48 -31.55 24.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.268 1.427 . . . . 0.0 112.002 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 57.22 61.25 2.6 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.669 1.223 . . . . 0.0 112.808 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.68 156.15 36.05 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.729 164.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -93.54 -58.56 2.24 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.024 0.53 . . . . 0.0 111.59 -159.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 21.2 p -106.17 164.99 11.56 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -45.46 -39.65 7.43 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.534 2.333 . . . . 0.0 111.95 171.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -62.57 -47.75 82.48 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.219 -0.926 . . . . 0.0 112.127 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -68.51 -43.96 75.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.969 -0.457 . . . . 0.0 110.671 -176.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' VAL . . . . . 0.429 HG23 HG21 ' B' ' 75' ' ' VAL . 27.8 m -66.17 -41.6 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.01 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.256 1.1 pp -64.79 -36.6 84.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.351 1.432 . . . . 0.0 111.749 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -58.47 -58.04 10.27 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.883 -1.135 . . . . 0.0 111.484 174.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -52.34 -59.96 3.79 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.526 0.73 . . . . 0.0 111.019 175.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.446 HG21 ' CE2' ' B' ' 79' ' ' TYR . 90.2 mt -57.79 -47.97 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.241 0.616 . . . . 0.0 110.853 -172.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.64 -42.87 93.73 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.049 -1.657 . . . . 0.0 112.423 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.1 m -60.74 -51.7 68.24 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.663 -0.648 . . . . 0.0 111.722 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -73.67 -29.37 62.27 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.169 -0.957 . . . . 0.0 112.703 -174.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -57.83 -43.99 86.16 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.22 -1.55 . . . . 0.0 110.916 161.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.315 98.2 m -60.52 -44.64 95.82 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.654 -1.279 . . . . 0.0 113.307 175.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -48.76 -58.45 4.77 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.4 0.545 . . . . 0.0 112.062 159.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -55.38 -41.44 72.61 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.256 17.4 pttm -59.79 -44.9 93.71 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 121.019 1.736 . . . . 0.0 112.56 169.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.8 -46.33 84.79 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 120.34 1.427 . . . . 0.0 111.979 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -55.03 -46.0 75.22 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.96 1.304 . . . . 0.0 112.455 173.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -66.22 -27.89 68.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.028 1.331 . . . . 0.0 112.299 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -79.97 -33.01 39.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.405 1.882 . . . . 0.0 113.417 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -43.11 135.11 3.33 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.81 0.844 . . . . 0.0 112.232 173.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -95.35 114.92 26.74 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -173.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 79' ' ' TYR . 15.5 tp -70.28 85.41 0.57 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.709 -1.244 . . . . 0.0 111.109 169.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -55.18 -24.48 27.16 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.868 1.267 . . . . 0.0 114.322 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 169.807 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 CA--C 1.543 0.711 0 CA-C-O 122.843 1.306 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.3 t -84.06 177.9 8.06 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.402 1.481 . . . . 0.0 112.175 166.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.38 -62.46 1.26 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -172.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 p -58.13 -55.58 33.18 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -60.7 -39.99 90.6 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.851 -1.156 . . . . 0.0 111.889 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.86 -44.88 91.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 120.892 -1.13 . . . . 0.0 111.75 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.42 -42.37 87.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.883 0.849 . . . . 0.0 111.562 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.649 HG12 ' CE2' ' A' ' 79' ' ' TYR . 5.9 t -79.92 -38.04 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.475 -0.766 . . . . 0.0 112.181 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.54 -42.29 15.59 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.809 -1.182 . . . . 0.0 112.638 163.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.46 -52.41 58.14 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.975 -0.453 . . . . 0.0 109.856 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.6 mt -51.56 -46.08 63.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.91 -0.493 . . . . 0.0 110.708 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.649 ' CE2' HG12 ' A' ' 75' ' ' VAL . 35.5 m-85 -57.92 -59.91 4.53 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.101 -1.0 . . . . 0.0 112.219 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.08 -41.74 81.43 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.718 0.69 . . . . 0.0 110.786 -172.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -59.4 -38.16 79.88 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.607 -1.308 . . . . 0.0 112.67 170.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.1 t -69.39 -7.36 36.85 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.242 -1.536 . . . . 0.0 113.493 172.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 66.93 48.07 1.34 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.916 2.487 . . . . 0.0 111.677 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mt -122.29 84.89 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 126.185 1.794 . . . . 0.0 110.791 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -58.87 127.63 33.18 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.821 -0.549 . . . . 0.0 112.274 -171.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.473 HD13 ' NH1' ' A' ' 113' ' ' ARG . 42.6 mm -86.19 115.92 63.81 Favored Pre-proline 0 CA--C 1.544 0.738 0 O-C-N 120.808 -1.182 . . . . 0.0 110.755 167.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HD3' HH12 ' A' ' 113' ' ' ARG . 32.8 Cg_endo -72.89 140.16 31.41 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.461 1.441 . . . . 0.0 108.837 168.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.6 p -51.93 -28.61 17.07 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.354 1.462 . . . . 0.0 113.403 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.97 -35.5 59.04 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.603 1.161 . . . . 0.0 114.042 172.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.57 -42.86 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 119.99 -1.694 . . . . 0.0 110.33 169.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.7 mt -68.64 -43.08 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.911 0.885 . . . . 0.0 110.922 -172.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -37.77 -58.17 0.93 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.541 1.936 . . . . 0.0 112.106 165.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -68.66 -65.94 0.64 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 122.565 1.174 . . . . 0.0 109.95 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -53.44 17.7 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.925 1.29 . . . . 0.0 113.575 -171.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 68.9 t -52.28 -49.83 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 121.388 -0.82 . . . . 0.0 112.53 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.64 -41.21 72.47 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.782 0.719 . . . . 0.0 112.665 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -55.24 -36.61 66.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.006 0.922 . . . . 0.0 112.615 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 55.1 68.9 0.79 Allowed 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 123.666 1.698 . . . . 0.0 113.706 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.08 163.37 25.17 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.557 158.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -123.76 -39.08 2.44 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -164.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.8 t -87.01 147.07 25.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.147 0.885 . . . . 0.0 111.628 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 24.7 mp0 -49.23 -36.15 19.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.324 1.45 . . . . 0.0 111.409 166.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -62.64 -47.36 84.07 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.907 -1.121 . . . . 0.0 112.228 172.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -63.88 -48.93 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.221 -0.925 . . . . 0.0 111.588 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.36 -42.84 97.06 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.629 HD13 ' NH1' ' B' ' 126' ' ' ARG 0.284 1.0 OUTLIER -63.78 -41.6 97.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 120.204 1.366 . . . . 0.0 112.597 178.117 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.429 ' N ' HD12 ' A' ' 106' ' ' LEU . 86.8 m-20 -60.41 -56.42 21.6 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.217 -0.927 . . . . 0.0 110.899 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -63.08 -49.08 75.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.411 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -50.98 -55.91 6.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 174.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.261 32.4 mt-10 -63.06 -30.89 71.95 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.701 -1.25 . . . . 0.0 113.474 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.6 m -60.48 -57.76 11.38 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.416 -0.802 . . . . 0.0 112.133 165.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.43 -31.5 72.74 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.517 -1.365 . . . . 0.0 112.944 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.473 ' NH1' HD13 ' A' ' 86' ' ' ILE . 67.6 mtp85 -65.01 -32.09 73.65 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.116 -1.615 . . . . 0.0 111.033 168.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.329 96.8 m -69.01 -39.1 79.5 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.45 -1.406 . . . . 0.0 114.024 168.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.35 -64.37 0.81 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.339 0.972 . . . . 0.0 110.529 158.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -52.2 -42.11 63.23 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -58.08 -49.94 75.2 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.022 -1.049 . . . . 0.0 112.418 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.65 -39.54 67.09 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.04 0.837 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -52.33 -45.63 65.71 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.226 -1.546 . . . . 0.0 111.562 167.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.38 -4.41 10.95 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 119.582 -1.949 . . . . 0.0 113.844 172.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -104.34 -8.86 18.93 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.937 2.095 . . . . 0.0 111.724 172.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -67.21 128.57 36.89 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.908 -1.12 . . . . 0.0 110.855 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 138.05 58.28 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -175.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.709 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.6 OUTLIER -103.77 104.4 14.41 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.726 -0.609 . . . . 0.0 109.524 155.467 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.95 21.7 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -172.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.521 ' NH2' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 125.252 1.421 . . . . 0.0 114.497 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -122.55 -168.52 1.75 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.974 2.109 . . . . 0.0 111.25 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -33.8 -69.77 0.09 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.394 1.877 . . . . 0.0 115.115 -165.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 4.3 p -62.53 -64.15 1.01 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' B' ' 72' ' ' GLU . 7.1 pm0 -55.53 -40.69 72.17 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.269 -1.519 . . . . 0.0 112.638 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 89.6 t -62.78 -43.66 98.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 120.985 -1.072 . . . . 0.0 111.906 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.56 -47.62 83.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.005 0.907 . . . . 0.0 111.327 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.494 HG12 ' CE2' ' B' ' 79' ' ' TYR . 23.6 t -68.32 -30.27 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 O-C-N 120.893 -1.13 . . . . 0.0 111.045 -177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -34.85 60.84 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.79 -1.194 . . . . 0.0 113.633 167.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -76.67 -50.51 13.55 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 73.2 mt -47.04 -38.58 11.25 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.5 -1.375 . . . . 0.0 111.758 173.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.709 ' CE1' HD12 ' A' ' 124' ' ' LEU . 19.1 m-85 -59.35 -58.56 8.09 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 167.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -76.01 -30.94 58.68 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.655 1.116 . . . . 0.0 113.728 -170.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -59.59 -25.73 64.85 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 119.331 -2.105 . . . . 0.0 111.763 159.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.32 -1.77 58.15 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 119.845 -1.784 . . . . 0.0 114.86 165.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 51.45 56.19 8.28 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 130.973 3.709 . . . . 0.0 114.545 -166.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.541 HG23 ' NH2' ' B' ' 113' ' ' ARG . 31.1 mt -110.61 111.95 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 124.431 1.093 . . . . 0.0 111.584 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -72.97 119.77 17.68 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.887 -1.133 . . . . 0.0 108.053 163.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 28.1 mm -83.46 126.17 72.13 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 120.419 -1.426 . . . . 0.0 109.238 168.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.72 137.96 33.57 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.604 2.202 . . . . 0.0 112.717 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -47.38 -44.49 24.28 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 125.129 1.372 . . . . 0.0 111.682 174.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.52 -44.71 69.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 171.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.79 -52.9 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 120.719 -1.238 . . . . 0.0 109.315 172.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.83 -45.38 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.861 -0.524 . . . . 0.0 110.441 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -48.42 -59.28 3.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.628 1.171 . . . . 0.0 112.546 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.81 -54.79 18.94 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 122.022 -0.424 . . . . 0.0 111.637 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -48.85 37.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.464 1.106 . . . . 0.0 111.718 -175.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.74 -41.5 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 124.835 1.254 . . . . 0.0 112.534 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -67.37 -53.59 28.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.776 0.83 . . . . 0.0 111.554 173.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -62.55 -32.15 73.06 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.018 -1.051 . . . . 0.0 113.381 -174.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? 62.87 51.96 2.81 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 157.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.82 179.58 1.07 Allowed 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.82 -43.83 4.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.421 1.088 . . . . 0.0 113.536 -167.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.7 t -120.7 152.85 37.73 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -39.22 -48.44 1.78 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 128.67 2.788 . . . . 0.0 112.137 167.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -62.07 -43.57 98.56 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.475 0.655 . . . . 0.0 111.793 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -67.73 -46.28 72.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.155 -0.966 . . . . 0.0 111.025 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 19.1 m -64.68 -44.59 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 118.611 -0.709 . . . . 0.0 109.655 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.26 2.1 pp -62.43 -42.16 99.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.942 1.247 . . . . 0.0 112.079 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -61.58 -55.4 31.22 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.98 0.809 . . . . 0.0 110.766 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -59.67 -52.27 66.25 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.839 0.456 . . . . 0.0 110.987 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -52.6 -55.12 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 O-C-N 121.691 -0.631 . . . . 0.0 111.501 175.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -66.98 -30.66 70.85 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.32 -1.487 . . . . 0.0 113.257 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 85.2 m -60.12 -60.3 4.04 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.564 -0.71 . . . . 0.0 111.651 165.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -55.86 -37.25 68.52 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.4 1.095 . . . . 0.0 112.355 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.541 ' NH2' HG23 ' B' ' 84' ' ' ILE . 57.2 ttt85 -68.71 -27.83 66.3 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.904 1.681 . . . . 0.0 111.405 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 70.5 m -78.93 -37.44 39.74 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.554 -1.341 . . . . 0.0 113.002 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -49.27 -59.46 3.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.763 0.71 . . . . 0.0 111.163 159.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -50.97 -47.89 61.23 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.15 -0.969 . . . . 0.0 113.146 175.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -50.09 -49.45 51.47 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.052 -1.03 . . . . 0.0 111.765 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.43 -44.08 83.86 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -50.38 -40.42 49.6 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.052 -1.655 . . . . 0.0 111.409 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -81.18 13.72 2.7 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.513 -1.367 . . . . 0.0 113.05 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -125.62 -23.17 4.1 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 127.142 2.177 . . . . 0.0 113.542 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -59.79 163.06 4.74 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 116.64 18.29 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.495 HD13 ' H ' ' B' ' 126' ' ' ARG . 1.2 tm? -99.62 112.92 25.09 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.764 -1.21 . . . . 0.0 110.641 167.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.48 18.58 5.19 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -170.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.629 ' NH1' HD13 ' A' ' 106' ' ' LEU . 2.6 mmt180 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 170.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.26 7.8 mp . . . . . 0 CA--C 1.54 0.59 0 CA-C-O 123.537 1.637 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -66.53 168.77 8.6 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.343 -1.299 . . . . 0.0 111.321 168.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.7 -52.9 10.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.302 1.041 . . . . 0.0 113.286 -176.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.2 p -59.88 -43.03 94.97 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.27 -45.37 80.74 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 122.308 1.051 . . . . 0.0 110.555 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -64.25 -45.61 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 121.286 -0.884 . . . . 0.0 110.84 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.16 96.68 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.599 -0.688 . . . . 0.0 111.452 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.59 -41.28 85.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.49 -0.756 . . . . 0.0 111.653 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.06 -36.52 70.63 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 170.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.57 -51.45 42.53 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.34 -49.93 17.03 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.021 -1.049 . . . . 0.0 112.123 170.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -49.17 -53.14 22.47 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.998 -1.064 . . . . 0.0 112.913 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -85.15 -24.79 27.81 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -172.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -49.0 -45.09 41.82 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.083 -1.636 . . . . 0.0 109.534 153.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 m -75.66 -7.09 53.44 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 53.17 73.66 0.35 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.214 3.006 . . . . 0.0 114.284 -167.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.5 mt -133.65 110.09 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 125.798 1.639 . . . . 0.0 110.591 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.4 HH22 ' CD ' ' B' ' 92' ' ' GLU . 26.2 ttt180 -65.37 129.76 40.9 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.077 165.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.0 mm -96.57 125.74 46.0 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 124.741 1.216 . . . . 0.0 109.042 170.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.98 140.54 69.32 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 121.851 1.7 . . . . 0.0 112.001 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.6 p -50.16 -36.46 30.29 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.803 -0.561 . . . . 0.0 110.883 163.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.16 -22.01 66.58 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.346 1.458 . . . . 0.0 114.716 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.63 -53.37 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 119.412 -2.055 . . . . 0.0 109.07 163.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.6 -40.56 79.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.227 1.411 . . . . 0.0 110.275 -169.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -29.63 -71.9 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.648 2.379 . . . . 0.0 112.863 163.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.51 -54.52 7.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.016 0.526 . . . . 0.0 110.874 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.433 HD11 HD11 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -38.56 -57.91 1.1 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.116 1.766 . . . . 0.0 112.226 -177.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.3 t -54.61 -64.22 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.478 0.711 . . . . 0.0 112.33 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -69.03 -44.74 72.11 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.832 1.196 . . . . 0.0 114.066 -172.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -42.99 86.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -151.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' NE ' ' H ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -179.91 -153.53 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.911 1.685 . . . . 0.0 110.083 -175.641 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' H ' ' NE ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER 79.5 139.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 128.096 2.558 . . . . 0.0 111.781 169.107 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -135.44 -40.95 0.71 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.383 1.073 . . . . 0.0 112.211 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 t -95.27 146.8 24.09 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 176.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -34.82 -47.37 0.34 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.133 2.573 . . . . 0.0 111.565 161.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -62.83 -44.78 95.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.687 1.195 . . . . 0.0 112.338 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -65.89 -49.47 67.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.916 -0.49 . . . . 0.0 111.35 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.2 m -62.13 -40.85 89.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.401 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.705 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.65 -40.27 92.31 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.875 1.216 . . . . 0.0 112.094 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.17 -57.3 13.64 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.19 -0.944 . . . . 0.0 111.102 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -53.43 -57.4 10.79 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.235 1.414 . . . . 0.0 112.193 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 94' ' ' LEU . 82.5 mt -54.56 -53.1 34.29 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 C-N-CA 123.576 0.75 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.33 -40.94 92.42 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.07 -1.019 . . . . 0.0 111.967 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.5 m -58.19 -54.08 51.04 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.18 -0.95 . . . . 0.0 111.764 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -64.56 -32.6 74.32 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.372 -1.455 . . . . 0.0 112.235 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -67.03 -20.87 65.92 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 119.926 -1.734 . . . . 0.0 111.659 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.285 47.8 m -74.61 -44.26 51.51 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.242 -1.536 . . . . 0.0 112.756 164.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -59.07 3.41 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 118.612 0.642 . . . . 0.0 111.587 161.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -51.81 -48.47 63.86 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -57.96 -37.58 74.43 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 120.662 1.573 . . . . 0.0 112.878 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 56.9 mt -64.22 -49.08 73.37 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.178 0.899 . . . . 0.0 111.915 173.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.57 -25.31 67.24 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 119.956 -1.715 . . . . 0.0 113.48 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.6 1.66 54.56 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.176 -1.578 . . . . 0.0 113.263 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -106.16 -60.28 1.67 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.794 2.038 . . . . 0.0 110.89 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -36.17 147.48 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 128.264 2.626 . . . . 0.0 117.322 -166.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 90.72 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.893 2.077 . . . . 0.0 116.522 -169.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.33 107.92 8.91 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.512 -0.743 . . . . 0.0 110.24 150.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.96 27.64 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.911 1.685 . . . . 0.0 115.045 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? . . . . . 0 CA--C 1.544 0.723 0 C-N-CA 127.046 2.138 . . . . 0.0 113.872 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.8 t -123.11 -168.38 1.75 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.469 3.107 . . . . 0.0 110.97 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.9 -71.84 0.07 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -167.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.5 p -65.37 -50.73 64.44 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -170.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -64.8 -38.93 92.65 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.704 -1.247 . . . . 0.0 111.824 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.8 -43.92 93.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 O-C-N 120.926 -1.109 . . . . 0.0 111.455 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.19 92.01 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 122.238 1.018 . . . . 0.0 111.004 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.57 -33.13 55.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 O-C-N 120.736 -1.228 . . . . 0.0 112.067 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -38.42 68.87 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.102 -0.999 . . . . 0.0 112.457 166.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -70.91 -48.74 51.94 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.821 -0.55 . . . . 0.0 109.816 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.68 -41.96 61.79 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.907 -1.12 . . . . 0.0 111.774 173.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -53.84 -50.28 66.58 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 117.924 -1.036 . . . . 0.0 113.225 172.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -84.32 -30.87 25.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.807 1.639 . . . . 0.0 114.872 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -55.26 -30.42 60.05 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.071 -1.643 . . . . 0.0 111.354 156.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 44.3 m -82.42 -17.74 44.34 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ASN . . . . . 0.444 ' C ' HD12 ' B' ' 84' ' ' ILE . 1.1 m120 83.28 45.05 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 129.844 3.258 . . . . 0.0 112.447 174.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.444 HD12 ' C ' ' B' ' 83' ' ' ASN . 1.9 mp -122.49 109.83 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 127.746 2.418 . . . . 0.0 110.674 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -70.41 117.81 12.43 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.859 -1.151 . . . . 0.0 110.1 163.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -70.23 128.1 91.7 Favored Pre-proline 0 CA--C 1.541 0.609 0 O-C-N 121.116 -0.99 . . . . 0.0 110.764 166.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -56.54 129.52 35.16 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 121.801 1.667 . . . . 0.0 111.122 166.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 58.2 m -44.18 -39.68 4.53 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.646 1.578 . . . . 0.0 112.232 168.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.61 -24.74 34.86 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.398 1.479 . . . . 0.0 114.967 174.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 mm -68.51 -49.61 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 119.633 -1.917 . . . . 0.0 109.958 165.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.18 -35.05 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.472 1.109 . . . . 0.0 111.023 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.4 ' CD ' HH22 ' A' ' 85' ' ' ARG . 35.1 tt0 -39.81 -53.9 2.19 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.088 1.755 . . . . 0.0 112.587 164.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -63.41 1.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.086 1.755 . . . . 0.0 111.142 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -42.76 56.84 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.024 0.93 . . . . 0.0 113.434 -165.148 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.2 t -50.84 -40.74 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.794 0.838 . . . . 0.0 113.253 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -75.53 -45.06 40.35 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.549 0.613 . . . . 0.0 111.371 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.89 -39.59 89.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.822 1.249 . . . . 0.0 112.614 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.16 46.93 18.06 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 158.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.56 162.75 9.93 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.343 -0.848 . . . . 0.0 111.836 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -96.48 -47.52 5.93 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -169.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -92.36 150.04 21.07 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.985 1.266 . . . . 0.0 114.129 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -42.42 -46.95 4.89 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.167 2.587 . . . . 0.0 111.624 165.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.31 -46.08 86.83 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.496 -0.753 . . . . 0.0 111.607 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.29 -46.68 72.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.452 -0.78 . . . . 0.0 111.026 -175.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.48 -43.26 96.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.216 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.4 pp -65.66 -36.95 85.15 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.542 1.519 . . . . 0.0 111.926 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.86 -60.08 4.26 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.32 -0.863 . . . . 0.0 111.048 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -61.14 -50.98 71.01 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.982 -0.448 . . . . 0.0 111.677 -177.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -48.3 -49.36 12.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.484 0 O-C-N 121.122 -0.986 . . . . 0.0 111.928 171.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.22 -41.02 92.17 Favored 'General case' 0 CA--C 1.553 1.08 0 O-C-N 120.215 -1.553 . . . . 0.0 113.166 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 60.3 p -63.43 -48.36 78.08 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.28 -1.513 . . . . 0.0 112.758 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.1 -36.59 82.19 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.809 -1.182 . . . . 0.0 112.277 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -65.04 -20.44 66.49 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.327 2.251 . . . . 0.0 111.246 169.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.291 61.2 m -83.65 -41.62 17.57 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 119.047 -2.283 . . . . 0.0 114.148 168.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -45.43 -56.05 5.43 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.795 1.179 . . . . 0.0 110.747 158.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -58.89 -38.35 78.67 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -53.09 -49.65 66.01 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 119.934 -1.729 . . . . 0.0 112.12 166.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.84 -51.49 67.33 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.332 0.969 . . . . 0.0 112.247 175.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.04 -28.87 69.37 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.405 -1.434 . . . . 0.0 113.475 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.37 -22.92 58.97 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 119.343 -2.098 . . . . 0.0 113.245 169.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -94.36 -44.41 7.94 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.709 2.004 . . . . 0.0 113.493 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -40.36 136.45 1.26 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 128.65 30.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.515 1.126 . . . . 0.0 113.518 172.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 22.0 tp -110.35 125.28 53.03 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 148.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -70.96 -18.94 62.6 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 176.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 . . . . . 0 N--CA 1.467 0.411 0 C-N-CA 126.173 1.789 . . . . 0.0 113.241 170.498 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HB3' HG22 ' A' ' 73' ' ' VAL . 98.6 mt . . . . . 0 CA--C 1.543 0.679 0 CA-C-O 121.092 0.472 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 73' ' ' VAL . 10.7 t -98.6 176.21 5.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.498 1.919 . . . . 0.0 112.537 170.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.26 -67.18 0.18 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -166.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.2 p -64.13 -49.78 70.83 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -173.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pm0 -63.51 -41.08 98.52 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.64 -1.288 . . . . 0.0 111.979 175.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 68' ' ' LEU . 85.3 t -54.71 -49.22 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 121.052 -1.03 . . . . 0.0 110.49 174.534 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.1 81.91 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.738 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.254 21.6 t -73.78 -36.61 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 O-C-N 121.245 -0.909 . . . . 0.0 112.363 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.8 -45.52 59.31 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.4 1.48 . . . . 0.0 113.345 165.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -66.06 -53.09 42.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.6 mt -51.64 -41.02 61.01 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.737 -0.602 . . . . 0.0 111.969 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -51.2 -52.56 43.25 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.163 1.347 . . . . 0.0 112.875 172.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -80.29 -30.25 38.27 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.37 -9.76 3.95 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.133 -1.604 . . . . 0.0 112.686 156.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.64 -2.34 23.53 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.936 1.695 . . . . 0.0 115.147 166.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 56.23 69.4 0.74 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.416 2.687 . . . . 0.0 113.796 -168.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.3 mt -141.54 112.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.019 1.728 . . . . 0.0 109.101 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -72.64 146.64 46.44 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 117.394 -1.722 . . . . 0.0 109.951 166.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.0 mm -99.14 127.29 35.26 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 124.563 1.145 . . . . 0.0 109.327 171.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -71.03 131.96 20.41 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.042 1.828 . . . . 0.0 109.973 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.9 m -32.45 -49.3 0.2 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.5 1.92 . . . . 0.0 114.714 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.82 -47.09 2.85 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.5 mm -54.34 -52.29 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 O-C-N 121.372 -0.83 . . . . 0.0 110.75 173.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.62 -50.65 79.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 110.261 -176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.86 -53.92 5.68 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.292 1.437 . . . . 0.0 112.358 171.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -65.75 -65.16 0.71 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 122.123 0.963 . . . . 0.0 110.075 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.46 -49.77 63.99 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.141 1.376 . . . . 0.0 113.398 -171.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.17 -41.19 41.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 121.553 -0.717 . . . . 0.0 111.632 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -51.56 47.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.984 1.714 . . . . 0.0 112.797 173.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -52.11 -39.52 59.96 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.718 0.807 . . . . 0.0 112.727 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 61.28 50.83 4.57 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 169.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.4 mt -68.3 160.58 29.11 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.973 170.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -84.56 -59.6 2.32 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.093 -1.005 . . . . 0.0 111.16 -162.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 p -111.42 166.09 11.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.62 -34.71 27.15 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.363 1.865 . . . . 0.0 111.766 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -60.91 -45.72 93.51 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.153 -0.967 . . . . 0.0 112.394 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -73.13 -43.35 61.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.129 -0.357 . . . . 0.0 110.609 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.46 -41.01 91.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.27 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.305 1.4 pp -63.78 -41.57 97.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.534 1.515 . . . . 0.0 111.648 175.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -53.69 -57.08 12.11 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.281 -1.512 . . . . 0.0 112.216 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -65.95 -52.75 46.96 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.923 -0.485 . . . . 0.0 112.083 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.81 -53.16 14.59 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 121.149 -0.969 . . . . 0.0 110.593 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -57.02 -37.47 71.76 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.452 -1.405 . . . . 0.0 112.23 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 m -60.38 -59.68 5.02 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.375 0.67 . . . . 0.0 112.001 170.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.16 -34.73 76.97 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.124 -0.985 . . . . 0.0 113.032 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -57.59 -46.75 83.63 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.226 -1.546 . . . . 0.0 110.163 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.263 66.0 m -60.71 -43.51 97.72 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.696 -1.252 . . . . 0.0 114.006 176.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -48.73 -58.44 4.77 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.523 0.601 . . . . 0.0 110.923 160.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -52.32 -43.64 64.65 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.27 18.6 pttm -59.16 -48.53 81.26 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 118.597 -1.241 . . . . 0.0 112.608 171.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.07 -42.96 99.79 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.655 1.116 . . . . 0.0 112.823 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -54.77 -47.94 73.27 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.55 -1.344 . . . . 0.0 111.485 173.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -71.6 -13.07 61.66 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.489 -1.382 . . . . 0.0 114.609 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -76.64 -34.25 58.31 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.058 1.343 . . . . 0.0 112.251 172.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -55.49 129.03 37.21 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 121.188 -0.945 . . . . 0.0 113.394 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 140.36 39.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.02 2.128 . . . . 0.0 114.267 174.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.648 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -105.56 135.15 47.49 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.919 0.888 . . . . 0.0 108.613 148.449 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -73.39 -0.24 14.21 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 174.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.605 ' HD2' HD13 ' B' ' 106' ' ' LEU . 24.7 mmt85 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 125.963 1.705 . . . . 0.0 114.139 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 CA--C 1.549 0.911 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 17.9 t -79.73 -179.46 6.92 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.478 1.511 . . . . 0.0 111.586 165.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.92 -58.7 6.53 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -166.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.7 p -63.18 -50.63 69.58 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -172.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 pm0 -63.24 -37.48 87.39 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.693 -1.254 . . . . 0.0 111.798 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.13 -44.84 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.308 -0.87 . . . . 0.0 111.41 174.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.17 92.01 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 122.396 1.093 . . . . 0.0 111.212 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.6 HG12 ' CE2' ' B' ' 79' ' ' TYR 0.252 11.9 t -74.73 -28.65 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 120.707 -1.246 . . . . 0.0 112.25 -179.006 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -37.4 62.75 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.556 -1.34 . . . . 0.0 112.605 168.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -69.31 -52.54 26.33 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 72.3 mt -49.98 -42.67 49.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.703 -1.248 . . . . 0.0 111.935 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.648 ' CE1' HD12 ' A' ' 124' ' ' LEU . 25.7 m-85 -55.28 -57.5 11.54 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.627 -1.295 . . . . 0.0 113.391 172.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -77.71 -31.92 52.64 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 120.128 1.331 . . . . 0.0 113.69 -171.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -48.09 -45.59 32.83 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.949 1.357 . . . . 0.0 111.203 158.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.3 t -75.39 -5.78 46.65 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.326 1.05 . . . . 0.0 113.528 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 57.28 57.3 4.55 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.86 2.464 . . . . 0.0 112.648 -167.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 85.5 mt -115.98 100.85 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 124.243 1.017 . . . . 0.0 111.231 169.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.96 75.14 4.5 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.471 0.653 . . . . 0.0 109.963 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 30.4 mm -37.83 127.97 0.95 Allowed Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 126.008 1.723 . . . . 0.0 113.425 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -53.27 145.21 45.42 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.282 2.655 . . . . 0.0 112.707 168.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -51.38 -44.81 62.25 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.838 -0.539 . . . . 0.0 111.068 166.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -56.02 -41.92 75.67 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.031 1.333 . . . . 0.0 112.823 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 20.2 mm -54.38 -53.18 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 120.513 -1.367 . . . . 0.0 111.398 169.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.28 -47.98 90.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.715 0.806 . . . . 0.0 110.322 -176.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -47.38 -59.23 3.35 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.427 1.491 . . . . 0.0 112.059 170.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -54.79 -53.67 52.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.576 1.15 . . . . 0.0 110.547 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -51.17 69.13 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.315 -0.866 . . . . 0.0 112.919 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 67.2 t -56.28 -38.62 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.968 1.307 . . . . 0.0 111.877 174.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.57 -59.28 5.45 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.288 -0.882 . . . . 0.0 111.781 170.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -61.68 -64.59 0.89 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.811 -1.18 . . . . 0.0 112.266 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 69.94 84.19 0.15 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.552 2.341 . . . . 0.0 114.039 -172.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.51 164.56 23.81 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.813 0.845 . . . . 0.0 111.07 169.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -80.01 -61.57 1.95 Allowed 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.649 -1.282 . . . . 0.0 110.067 -162.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 20.3 p -105.72 166.08 10.71 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -173.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -48.63 -42.25 33.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.747 2.419 . . . . 0.0 111.846 171.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.91 -47.08 87.25 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.34 -0.85 . . . . 0.0 112.052 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.29 -44.77 78.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.528 -0.733 . . . . 0.0 111.312 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.1 m -65.76 -40.53 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.171 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.605 HD13 ' HD2' ' A' ' 126' ' ' ARG 0.283 1.3 pp -62.86 -36.76 84.35 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.405 1.457 . . . . 0.0 112.722 174.666 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 107' ' ' ASN . . . . . 0.55 ' N ' HD12 ' B' ' 106' ' ' LEU . 92.3 m-20 -59.78 -60.2 4.21 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.132 0.878 . . . . 0.0 111.601 173.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -59.02 -51.42 70.15 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.064 0.546 . . . . 0.0 111.557 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.1 mt -54.29 -54.26 22.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.359 -0.838 . . . . 0.0 111.494 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.2 -37.72 72.6 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.482 -1.386 . . . . 0.0 112.669 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.0 m -59.88 -57.63 12.05 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.735 -0.603 . . . . 0.0 111.629 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.76 -36.72 79.64 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.995 -1.065 . . . . 0.0 113.165 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -56.8 -45.76 82.02 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.046 -1.659 . . . . 0.0 110.988 167.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.281 99.6 m -61.32 -46.88 88.45 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.561 -1.337 . . . . 0.0 113.72 176.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -46.77 -60.48 2.38 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.379 0.536 . . . . 0.0 111.259 161.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -49.94 -44.87 50.77 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.294 18.8 pttm -61.08 -41.6 96.95 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.128 -1.608 . . . . 0.0 112.968 172.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.5 -47.2 84.91 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.71 1.141 . . . . 0.0 112.37 171.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -52.86 -48.33 67.15 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.48 -1.387 . . . . 0.0 111.879 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -76.72 -11.56 59.86 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -84.82 -43.25 14.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.373 1.869 . . . . 0.0 111.597 167.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -52.96 145.88 12.01 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -171.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 119.87 5.33 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 129.911 3.284 . . . . 0.0 113.614 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.1 tp -118.65 121.73 40.85 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 150.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.72 18.55 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.771 0 C-N-CA 126.839 2.055 . . . . 0.0 114.11 -173.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 CA--C 1.536 0.408 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.14 173.69 2.98 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.242 0.617 . . . . 0.0 111.113 167.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.41 72.88 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -165.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.0 p -61.4 -53.34 57.86 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.468 -0.77 . . . . 0.0 112.842 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -63.53 -38.43 91.09 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.163 -1.586 . . . . 0.0 112.834 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -44.81 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 O-C-N 120.912 -1.117 . . . . 0.0 111.356 176.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.83 87.56 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 122.032 0.92 . . . . 0.0 110.962 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.86 -27.7 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 121.234 -0.916 . . . . 0.0 111.584 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.43 -30.22 63.08 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.915 -1.115 . . . . 0.0 112.731 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.86 -50.85 72.47 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 166.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.29 -41.75 72.72 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.009 -1.057 . . . . 0.0 111.683 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.629 ' CE1' HD12 ' B' ' 124' ' ' LEU . 20.8 m-85 -51.85 -61.71 2.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.066 1.303 . . . . 0.0 113.353 169.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -72.55 -37.89 68.12 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.13 1.332 . . . . 0.0 112.401 -171.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.12 -33.11 70.48 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.504 -1.373 . . . . 0.0 112.222 167.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 p -75.96 -15.69 60.12 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.02 -1.675 . . . . 0.0 113.798 169.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 66.15 59.09 0.69 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 129.401 3.081 . . . . 0.0 113.23 -167.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.8 mt -119.13 118.5 57.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 125.885 1.674 . . . . 0.0 109.878 164.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.7 ttp85 -80.18 150.16 30.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.849 0.833 . . . . 0.0 110.723 165.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.0 mm -109.44 129.05 24.36 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.096 1.758 . . . . 0.0 109.937 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.55 138.12 73.64 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.465 2.11 . . . . 0.0 111.114 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.7 m -50.73 -34.46 27.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.167 0.987 . . . . 0.0 112.666 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.8 -44.95 63.69 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.209 -0.932 . . . . 0.0 113.495 172.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 mm -55.87 -48.91 77.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 O-C-N 120.88 -1.137 . . . . 0.0 110.109 173.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.37 -46.46 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -175.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -45.93 -58.93 3.14 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.576 1.15 . . . . 0.0 112.413 169.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -63.38 -59.49 4.62 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.685 0.755 . . . . 0.0 109.993 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -43.59 66.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.217 1.007 . . . . 0.0 112.955 -175.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.2 t -48.63 -49.37 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 O-C-N 120.992 -1.068 . . . . 0.0 111.766 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -64.28 -50.8 66.49 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.911 1.285 . . . . 0.0 112.693 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -72.74 72.76 1.07 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 127.216 2.206 . . . . 0.0 109.675 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -70.2 72.42 0.45 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -170.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.21 163.69 12.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.502 1.921 . . . . 0.0 110.733 164.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -88.47 -65.46 1.02 Allowed 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.474 -0.766 . . . . 0.0 111.267 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.7 p -104.16 162.88 12.8 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -165.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.64 -42.26 11.19 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.996 2.118 . . . . 0.0 110.916 169.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -60.37 -46.26 90.59 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 121.297 -0.877 . . . . 0.0 111.994 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -68.09 -48.61 65.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.734 -0.604 . . . . 0.0 111.393 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 m -64.32 -38.09 81.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.8 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.256 1.2 pp -65.19 -36.97 85.85 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 118.218 -1.393 . . . . 0.0 111.852 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.53 -58.66 7.65 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 120.805 -1.184 . . . . 0.0 111.424 174.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -61.15 -51.69 68.0 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.214 0.605 . . . . 0.0 111.651 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.1 mt -53.3 -55.43 12.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 O-C-N 121.465 -0.772 . . . . 0.0 110.938 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.19 -34.79 64.19 Favored 'General case' 0 CA--C 1.554 1.113 0 O-C-N 120.968 -1.083 . . . . 0.0 112.035 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.9 m -65.61 -59.23 4.16 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.742 0.817 . . . . 0.0 113.173 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.09 -37.36 79.73 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.57 -1.331 . . . . 0.0 112.173 178.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 63.3 ttt-85 -57.06 -34.87 68.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.251 -1.531 . . . . 0.0 111.426 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.275 88.9 m -72.25 -35.83 68.91 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 119.988 -1.695 . . . . 0.0 114.337 169.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.02 -59.02 4.29 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.93 1.241 . . . . 0.0 110.67 159.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -52.95 -41.82 64.88 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -56.36 -55.02 38.65 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.734 -1.229 . . . . 0.0 112.17 173.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.26 -34.62 78.42 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.37 -63.64 1.1 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.689 -1.257 . . . . 0.0 110.32 168.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -62.04 -10.8 10.96 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -68.66 -44.48 74.01 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.137 1.375 . . . . 0.0 112.186 165.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -62.24 135.51 57.51 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.028 0.931 . . . . 0.0 111.998 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -112.03 129.8 56.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.024 1.73 . . . . 0.0 111.527 -171.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.65 101.5 5.0 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.969 -1.082 . . . . 0.0 109.595 170.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -75.75 43.51 0.26 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.234 1.413 . . . . 0.0 112.195 -176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 127.162 2.185 . . . . 0.0 115.814 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 122.272 1.034 . . . . 0.0 112.996 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.3 p -80.5 -179.95 7.43 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.203 -0.935 . . . . 0.0 112.374 166.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.39 -55.73 17.0 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -167.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -65.34 -50.92 63.77 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.428 -0.795 . . . . 0.0 113.072 -173.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -62.67 -38.02 88.71 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.864 1.211 . . . . 0.0 112.07 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.7 -48.77 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 121.295 -0.878 . . . . 0.0 111.47 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.29 -42.18 81.25 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 122.312 1.053 . . . . 0.0 111.403 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.574 HG12 ' CE2' ' B' ' 79' ' ' TYR . 13.4 t -73.58 -35.64 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 O-C-N 121.509 -0.744 . . . . 0.0 112.083 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.12 -34.96 72.65 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 172.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.04 -61.65 2.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 27.7 mt -55.95 -31.47 62.97 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.574 ' CE2' HG12 ' B' ' 75' ' ' VAL . 12.8 m-85 -56.29 -57.08 13.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.459 1.027 . . . . 0.0 111.769 168.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.34 -28.09 61.87 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.997 0.817 . . . . 0.0 112.659 -176.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -58.49 -37.79 76.28 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.401 -1.437 . . . . 0.0 111.434 161.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 38.2 m -77.99 4.57 11.85 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.785 -1.197 . . . . 0.0 113.361 168.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m120 48.17 55.59 8.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.886 2.074 . . . . 0.0 112.295 -170.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 42.3 mt -118.46 98.88 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.202 1.801 . . . . 0.0 111.404 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.03 114.46 9.11 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.72 -0.612 . . . . 0.0 109.782 176.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 47.0 mm -78.94 122.37 84.48 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 120.889 -1.132 . . . . 0.0 111.079 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.94 141.5 66.97 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.081 2.521 . . . . 0.0 112.13 170.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -48.45 -48.63 37.37 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.046 0.938 . . . . 0.0 112.48 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.11 -49.89 6.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.956 1.302 . . . . 0.0 113.888 171.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.11 -47.53 83.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 O-C-N 120.756 -1.215 . . . . 0.0 110.684 174.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 31.4 mt -59.93 -44.91 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 121.49 -0.756 . . . . 0.0 110.599 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -54.36 -60.59 3.14 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.025 1.33 . . . . 0.0 112.352 173.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -53.85 -53.22 55.52 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.415 1.486 . . . . 0.0 110.411 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -45.64 92.45 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.96 -1.087 . . . . 0.0 112.479 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.82 -30.64 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 O-C-N 120.677 -1.265 . . . . 0.0 112.6 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.33 -52.61 38.2 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.999 -1.063 . . . . 0.0 113.096 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -71.99 -38.92 69.58 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.248 -0.907 . . . . 0.0 113.073 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 27.31 84.7 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.848 2.859 . . . . 0.0 113.567 -170.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 mt -72.22 168.82 17.46 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.325 1.05 . . . . 0.0 110.773 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.07 -65.92 0.89 Allowed 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.808 -1.183 . . . . 0.0 110.177 -170.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.3 t -84.86 152.16 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -42.45 -41.79 3.04 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.8 0.81 . . . . 0.0 112.152 158.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -59.58 -45.88 90.57 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.295 -0.878 . . . . 0.0 111.583 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.38 -48.38 67.56 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.523 -0.735 . . . . 0.0 110.817 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 10.8 m -64.37 -39.27 84.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.967 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.2 pp -66.79 -39.63 87.85 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.131 1.332 . . . . 0.0 111.889 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -57.5 -57.83 10.98 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.735 0.698 . . . . 0.0 110.868 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -59.85 -52.32 65.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.493 0.717 . . . . 0.0 111.846 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.9 mt -53.52 -54.18 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 121.285 -0.885 . . . . 0.0 110.97 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.52 -37.39 70.39 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.671 -1.268 . . . . 0.0 112.019 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 55.4 m -62.15 -56.49 18.23 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.545 -0.722 . . . . 0.0 112.434 172.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.97 -34.92 78.53 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.822 -1.174 . . . . 0.0 112.771 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -59.51 -41.73 90.58 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.655 -1.903 . . . . 0.0 111.238 166.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.279 99.9 m -60.13 -44.08 95.2 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.367 -1.458 . . . . 0.0 114.144 171.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -48.63 -54.45 14.6 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.899 0.772 . . . . 0.0 111.137 162.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -53.68 -49.67 67.51 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.301 18.5 pttm -56.19 -36.47 68.43 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 121.207 1.822 . . . . 0.0 113.357 174.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.41 -49.87 67.61 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.455 1.025 . . . . 0.0 112.611 172.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -52.37 -40.62 62.25 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.152 -1.592 . . . . 0.0 112.535 171.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.13 -11.83 60.42 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.834 1.254 . . . . 0.0 113.237 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -94.28 -49.33 5.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.64 1.976 . . . . 0.0 111.794 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -40.35 145.76 0.16 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 -170.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 115.78 1.9 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.462 2.305 . . . . 0.0 114.34 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.629 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -104.51 128.39 52.43 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.106 0.866 . . . . 0.0 109.239 148.745 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -2.21 18.15 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.787 1.235 . . . . 0.0 113.877 172.321 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.479 ' H ' HD22 ' B' ' 124' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 126.652 1.981 . . . . 0.0 114.606 178.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 CA--C 1.541 0.623 0 CA-C-O 122.443 1.116 . . . . 0.0 113.408 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -83.38 176.97 8.7 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.857 0.863 . . . . 0.0 112.467 166.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.82 -57.06 3.46 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.955 1.302 . . . . 0.0 114.328 -171.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.6 p -57.61 -61.92 2.16 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 pm0 -63.11 -30.84 71.91 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.365 -1.459 . . . . 0.0 112.778 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.42 -46.86 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 121.02 -1.05 . . . . 0.0 111.43 172.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.0 86.17 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 123.09 1.424 . . . . 0.0 111.394 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.677 HG21 HG23 ' A' ' 105' ' ' VAL . 4.2 t -67.11 -36.35 76.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 119.839 -1.788 . . . . 0.0 112.017 173.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.56 -30.36 67.08 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 167.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -47.07 71.93 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.675 -0.641 . . . . 0.0 110.095 176.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.549 ' HB3' HD11 ' B' ' 124' ' ' LEU . 10.1 mt -63.6 -38.16 90.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.539 -0.725 . . . . 0.0 110.373 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.697 ' CE1' HD12 ' B' ' 124' ' ' LEU . 13.7 m-85 -57.07 -59.12 5.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.096 -0.954 . . . . 0.0 113.568 171.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -69.42 -28.54 66.22 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 120.585 1.539 . . . . 0.0 112.416 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.01 -45.76 68.08 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.868 -1.145 . . . . 0.0 111.385 162.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 p -81.51 5.28 18.36 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 173.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 35.65 65.72 0.39 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.747 2.019 . . . . 0.0 114.355 -159.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.63 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 11.3 mt -110.45 107.2 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 120.635 -1.291 . . . . 0.0 112.295 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -82.45 140.01 33.65 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.766 -1.209 . . . . 0.0 110.996 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.5 mm -108.51 123.52 37.09 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.733 1.213 . . . . 0.0 110.683 -173.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.51 146.15 54.34 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.771 2.314 . . . . 0.0 112.087 169.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.9 p -53.77 -54.25 40.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.003 0.82 . . . . 0.0 112.085 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -32.63 -54.5 0.35 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.447 1.899 . . . . 0.0 114.211 172.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 43.1 mm -49.47 -55.93 3.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 O-C-N 121.514 -0.741 . . . . 0.0 110.49 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.88 -46.63 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 O-C-N 121.428 -0.795 . . . . 0.0 111.861 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -48.21 -54.67 12.69 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.735 2.014 . . . . 0.0 111.801 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.52 -58.08 6.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.482 -0.761 . . . . 0.0 111.192 170.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 108' ' ' TYR . 1.2 tm? -59.53 -41.34 89.78 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -163.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.7 t -46.97 -47.99 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.22 -0.925 . . . . 0.0 112.802 166.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -46.29 82.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.144 0.978 . . . . 0.0 111.673 174.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -60.6 -44.52 96.18 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.344 -0.848 . . . . 0.0 113.114 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 39.55 71.08 0.19 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.677 1.591 . . . . 0.0 111.947 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.53 166.06 7.19 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.396 -0.815 . . . . 0.0 112.005 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -81.46 -13.6 58.0 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -154.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -146.06 166.14 26.99 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.614 1.197 . . . . 0.0 113.202 169.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.09 -51.12 45.37 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.755 1.622 . . . . 0.0 111.182 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -57.26 -40.41 77.6 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.481 1.112 . . . . 0.0 111.794 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.95 -48.08 75.33 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.223 -0.923 . . . . 0.0 111.878 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.677 HG23 HG21 ' A' ' 75' ' ' VAL 0.278 23.2 m -62.36 -39.61 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.135 178.253 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.371 3.7 pp -66.43 -35.25 79.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 118.221 -1.391 . . . . 0.0 113.861 174.236 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -59.61 -57.02 14.75 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.955 -1.091 . . . . 0.0 111.597 172.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.435 ' CD2' HD23 ' A' ' 94' ' ' LEU . 88.7 t80 -54.53 -55.59 27.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.044 0.937 . . . . 0.0 111.781 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.4 mt -57.28 -51.81 64.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.196 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -49.05 -46.74 44.83 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.715 1.598 . . . . 0.0 111.776 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -57.86 -54.06 51.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.676 -0.64 . . . . 0.0 111.967 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -63.49 -34.86 78.7 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.035 -1.041 . . . . 0.0 113.556 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.63 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 40.5 mtp180 -54.63 -40.66 69.17 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 119.838 -1.789 . . . . 0.0 110.661 166.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.273 51.0 m -67.14 -36.65 82.31 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 171.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -51.11 -54.03 28.78 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 120.448 1.476 . . . . 0.0 111.287 163.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -56.57 -42.36 78.49 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.852 -1.155 . . . . 0.0 113.239 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -50.03 -49.21 51.75 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.615 -1.303 . . . . 0.0 110.651 170.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.89 -49.92 75.82 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 173.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -50.85 -38.5 49.44 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.329 -1.482 . . . . 0.0 112.424 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -75.97 -10.9 59.8 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.231 1.412 . . . . 0.0 113.444 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -103.19 -38.82 7.11 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.462 2.305 . . . . 0.0 112.528 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -43.89 148.52 0.38 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.955 1.302 . . . . 0.0 114.415 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 127.24 32.28 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.087 1.355 . . . . 0.0 113.908 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.5 tp -96.25 115.54 27.59 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.349 0.977 . . . . 0.0 108.455 149.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.39 31.78 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.492 ' NE ' HD13 ' B' ' 106' ' ' LEU . 13.0 mmp_? . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 127.216 2.206 . . . . 0.0 115.63 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.8 t -88.17 -172.04 3.63 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.787 1.235 . . . . 0.0 112.545 163.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.33 -66.59 0.36 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -165.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 2.9 p -57.61 -49.61 75.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -64.7 -39.67 94.05 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.267 -0.896 . . . . 0.0 111.784 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.13 -47.82 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 120.915 -1.116 . . . . 0.0 111.42 172.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.97 74.03 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.255 1.026 . . . . 0.0 111.605 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.23 -38.0 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 121.651 -0.655 . . . . 0.0 112.732 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.31 -43.75 67.84 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.888 -1.132 . . . . 0.0 112.946 164.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.57 -50.17 68.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -48.1 -46.74 34.32 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.204 -0.935 . . . . 0.0 112.887 172.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.477 ' CE2' HG21 ' B' ' 109' ' ' ILE . 21.2 m-85 -49.33 -52.55 27.28 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.624 -1.298 . . . . 0.0 112.554 172.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.278 5.6 mm-40 -76.69 -26.37 54.68 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -53.28 -37.01 61.79 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.852 -1.78 . . . . 0.0 110.636 158.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 -1.55 54.56 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 172.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 42.69 77.42 0.06 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.396 2.678 . . . . 0.0 115.469 -157.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 23.7 mt -131.66 115.43 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 125.813 1.645 . . . . 0.0 110.417 170.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -75.2 144.64 42.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 119.011 -1.075 . . . . 0.0 111.229 164.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.41 126.65 28.46 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 125.651 1.58 . . . . 0.0 109.106 172.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -55.18 126.41 22.45 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.44 2.094 . . . . 0.0 112.249 169.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -31.98 -60.28 0.26 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.766 2.026 . . . . 0.0 113.806 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -29.72 -61.28 0.15 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.523 1.929 . . . . 0.0 114.783 172.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 pt -70.25 -29.29 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 120.894 -1.129 . . . . 0.0 113.529 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 20.5 mt -58.05 -46.84 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 119.827 1.194 . . . . 0.0 109.786 167.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.87 -58.98 5.76 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.095 0.558 . . . . 0.0 110.913 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.1 -48.03 64.97 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.09 -1.006 . . . . 0.0 110.752 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -50.0 72.57 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.72 -0.612 . . . . 0.0 111.712 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 46.0 t -53.62 -43.08 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.559 0.744 . . . . 0.0 112.231 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -59.46 -66.27 0.54 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.746 0.703 . . . . 0.0 111.543 171.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -86.0 51.4 2.2 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.041 -1.037 . . . . 0.0 112.494 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -70.2 132.85 46.4 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 120.993 -1.067 . . . . 0.0 113.056 -172.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 30.1 mt -87.71 -173.64 4.41 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.261 1.424 . . . . 0.0 111.809 -174.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.81 -44.48 15.46 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.659 -1.276 . . . . 0.0 112.533 -170.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -144.79 164.58 30.6 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -37.13 -47.39 0.76 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.883 2.473 . . . . 0.0 113.65 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -59.29 -46.93 87.22 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.423 -0.798 . . . . 0.0 112.053 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.63 -47.19 73.38 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.082 0.553 . . . . 0.0 110.644 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.78 -38.35 82.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.19 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' LEU . . . . . 0.492 HD13 ' NE ' ' A' ' 126' ' ' ARG 0.27 0.9 OUTLIER -67.06 -35.43 79.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.567 1.53 . . . . 0.0 112.72 174.826 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' B' B ' 107' ' ' ASN . . . . . 0.406 ' N ' HD12 ' B' ' 106' ' ' LEU . 86.5 m-20 -60.77 -56.62 19.1 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 122.488 1.137 . . . . 0.0 110.656 173.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -62.72 -47.24 84.43 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.769 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' B' ' 79' ' ' TYR . 90.3 mt -56.22 -48.07 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 O-C-N 120.959 -1.088 . . . . 0.0 112.343 176.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -53.56 -38.84 64.24 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.516 -1.365 . . . . 0.0 111.721 173.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 8.0 m -62.67 -56.53 16.84 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.402 -0.811 . . . . 0.0 112.768 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -50.44 -52.61 36.36 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.004 1.721 . . . . 0.0 112.964 175.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -64.87 -21.36 66.79 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 119.297 -2.127 . . . . 0.0 111.909 174.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.333 95.0 m -71.36 -38.26 71.59 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 119.846 -1.784 . . . . 0.0 114.194 164.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -51.14 -62.23 1.74 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.798 1.181 . . . . 0.0 111.329 159.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -56.46 -35.23 67.69 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.011 -1.055 . . . . 0.0 113.661 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -56.5 -51.71 67.49 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.645 -1.285 . . . . 0.0 111.684 171.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.57 -41.88 92.43 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.801 0.81 . . . . 0.0 112.278 177.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -51.13 -51.36 54.25 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.187 -1.571 . . . . 0.0 111.006 170.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -77.93 10.68 2.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.128 1.771 . . . . 0.0 113.811 174.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -97.51 -33.55 11.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.15 1.78 . . . . 0.0 111.342 166.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -53.19 129.69 32.1 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 118.561 0.619 . . . . 0.0 110.774 167.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -116.92 132.97 56.57 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.258 1.823 . . . . 0.0 111.182 -168.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.697 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -80.03 98.73 7.34 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.017 -1.052 . . . . 0.0 109.66 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -72.22 7.26 1.79 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.212 -1.555 . . . . 0.0 113.94 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 126.235 1.814 . . . . 0.0 113.468 172.618 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.8 m -66.22 165.68 13.37 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.156 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.22 -56.52 1.19 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -174.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.22 -55.99 27.83 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -66.95 -36.55 82.47 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 119.632 -1.917 . . . . 0.0 112.798 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -35.98 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 O-C-N 120.45 -1.406 . . . . 0.0 111.816 174.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.6 -35.98 62.98 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.354 1.062 . . . . 0.0 112.171 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.449 HG21 HG23 ' A' ' 105' ' ' VAL . 0.3 OUTLIER -63.93 -40.48 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 118.958 -2.339 . . . . 0.0 110.066 172.473 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.1 mt -52.62 -23.29 6.24 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 168.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -41.73 39.84 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.795 -1.191 . . . . 0.0 110.677 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.1 mt -53.24 -41.69 65.68 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 119.879 -1.763 . . . . 0.0 110.372 169.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.423 ' CD1' HD11 ' A' ' 86' ' ' ILE . 62.5 m-85 -57.86 -60.24 4.01 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.177 -0.952 . . . . 0.0 112.952 172.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -85.53 -27.56 25.5 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -54.53 -20.29 7.54 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 119.863 -1.773 . . . . 0.0 111.76 158.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.46 -4.27 25.66 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.382 -1.449 . . . . 0.0 113.607 171.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 39.49 67.95 0.41 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.77 2.028 . . . . 0.0 115.234 -158.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.9 mt -99.44 117.44 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.39 0.676 . . . . 0.0 111.224 150.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -66.57 136.92 56.33 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 164.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 79' ' ' TYR . 18.0 mm -105.94 125.62 32.7 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.839 1.255 . . . . 0.0 110.182 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.34 131.48 45.06 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.975 1.783 . . . . 0.0 110.996 172.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.7 m -43.95 -42.13 5.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.182 1.393 . . . . 0.0 112.176 173.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.04 -45.88 52.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 172.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 mm -52.26 -48.68 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 121.023 -1.048 . . . . 0.0 110.017 171.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.2 mt -66.09 -43.98 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 121.989 -0.444 . . . . 0.0 110.355 -174.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -54.75 -52.76 61.52 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.637 0.653 . . . . 0.0 111.991 171.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -59.14 -47.86 83.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.439 1.096 . . . . 0.0 111.146 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -63.01 -40.59 98.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 120.258 -1.526 . . . . 0.0 112.125 177.08 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.69 24.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 124.243 1.017 . . . . 0.0 111.912 167.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -125.29 -53.85 1.6 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.693 2.397 . . . . 0.0 110.211 159.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -78.65 62.41 3.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.612 1.165 . . . . 0.0 109.615 173.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -73.78 81.98 1.61 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -166.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.09 170.97 3.21 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.516 1.527 . . . . 0.0 112.597 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -87.22 -64.15 1.19 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.22 -0.925 . . . . 0.0 111.944 -171.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.6 p -105.26 159.67 15.7 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -168.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -45.78 -40.91 10.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.228 1.011 . . . . 0.0 113.358 172.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -48.33 82.04 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.857 0.837 . . . . 0.0 110.891 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.14 -50.26 72.58 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.064 -1.023 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.449 HG23 HG21 ' A' ' 75' ' ' VAL . 18.4 m -61.6 -39.5 83.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 119.984 -0.687 . . . . 0.0 110.562 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 107' ' ' ASN 0.302 1.3 pp -64.63 -37.01 86.11 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.548 -1.345 . . . . 0.0 113.438 174.738 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.466 ' N ' HD12 ' A' ' 106' ' ' LEU . 27.9 m120 -58.33 -55.03 40.32 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.777 1.171 . . . . 0.0 110.569 173.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -57.81 -50.49 73.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.847 0.859 . . . . 0.0 112.341 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.92 -50.95 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.306 -0.872 . . . . 0.0 111.224 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.67 70.15 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.42 -1.425 . . . . 0.0 112.451 177.757 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.3 m -62.09 -61.15 2.68 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 112.263 172.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.22 -34.51 73.75 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.777 -1.202 . . . . 0.0 112.922 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -59.41 -42.29 91.47 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 119.903 -1.748 . . . . 0.0 111.59 168.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.293 85.5 m -60.07 -44.44 94.74 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.558 -1.339 . . . . 0.0 113.252 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -48.73 -60.48 2.69 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 118.99 -0.528 . . . . 0.0 111.558 160.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -51.18 -43.61 61.35 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.257 18.3 pttm -59.66 -45.97 90.43 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.217 -1.552 . . . . 0.0 112.614 172.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.45 -41.34 98.67 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.485 1.039 . . . . 0.0 112.316 175.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -53.92 -47.94 70.69 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.301 -1.499 . . . . 0.0 111.259 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -76.24 0.36 19.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -93.1 -32.19 14.53 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.17 1.788 . . . . 0.0 112.009 171.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -52.92 137.17 33.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.81 134.8 56.59 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 128.526 2.73 . . . . 0.0 115.464 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.62 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -114.97 111.93 21.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.112 0.965 . . . . 0.0 109.525 157.223 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -60.49 -46.07 91.44 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -177.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 . . . . . 0 N--CA 1.471 0.624 0 C-N-CA 125.771 1.628 . . . . 0.0 113.679 -174.129 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 CA--C 1.54 0.561 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 42.0 p -93.59 -177.09 4.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.012 1.725 . . . . 0.0 111.015 168.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.05 -66.05 0.32 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -170.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.1 p -59.21 -51.69 68.91 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.65 -51.68 62.38 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.71 1.141 . . . . 0.0 111.528 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 74.4 t -58.24 -39.96 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.624 0.769 . . . . 0.0 111.886 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.77 96.04 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.927 0.87 . . . . 0.0 111.553 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.573 HG12 ' CE2' ' B' ' 79' ' ' TYR . 5.4 t -79.46 -33.35 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 O-C-N 120.984 -1.072 . . . . 0.0 112.441 -177.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.47 -41.88 3.09 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.12 1.368 . . . . 0.0 113.083 161.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.94 -50.32 35.9 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.867 -0.521 . . . . 0.0 110.301 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 95.2 mt -49.82 -37.72 31.67 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.902 -1.124 . . . . 0.0 111.76 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.62 ' CE1' HD12 ' A' ' 124' ' ' LEU . 43.5 m-85 -57.84 -60.71 3.28 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 120.555 -1.341 . . . . 0.0 113.078 169.008 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -81.91 -35.52 29.07 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 121.534 1.97 . . . . 0.0 114.356 -170.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -59.59 -21.88 60.98 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.221 -1.549 . . . . 0.0 112.301 163.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 18.3 t -75.66 -51.3 13.1 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 119.809 -1.807 . . . . 0.0 112.576 160.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 129.2 31.74 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.769 1 C-N-CA 132.097 4.159 . . . . 0.0 114.147 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.76 117.64 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.213 1.805 . . . . 0.0 113.573 -176.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -79.33 118.03 20.87 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.722 0.773 . . . . 0.0 110.972 168.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.89 110.89 36.35 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.682 1.593 . . . . 0.0 110.043 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -65.5 149.15 88.04 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 121.091 1.194 . . . . 0.0 110.913 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 76.0 p -59.72 -32.94 71.01 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -168.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.39 -46.92 26.42 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.818 0.847 . . . . 0.0 113.119 167.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.94 -49.57 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 O-C-N 120.93 -1.106 . . . . 0.0 109.806 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.2 mt -61.83 -40.63 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.893 0.877 . . . . 0.0 110.209 -174.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.25 -69.95 0.14 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.661 0.785 . . . . 0.0 111.923 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.47 -35.74 60.89 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.418 1.487 . . . . 0.0 111.046 -173.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -67.46 0.43 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.171 1.388 . . . . 0.0 111.602 170.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.17 -30.43 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 O-C-N 121.013 -1.055 . . . . 0.0 113.677 -160.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 33.0 p30 -56.24 -42.79 77.9 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.34 -8.09 54.38 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 173.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 58.51 71.49 0.58 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 168.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.57 164.27 23.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.004 0.922 . . . . 0.0 111.914 167.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -114.3 -38.53 4.07 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -170.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 34.1 t -107.51 145.06 33.61 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -43.16 -40.01 3.1 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.924 1.69 . . . . 0.0 111.969 164.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.01 -46.54 87.17 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.063 -1.023 . . . . 0.0 112.403 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.33 -44.72 90.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.213 -0.929 . . . . 0.0 110.897 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 m -66.43 -42.75 90.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.076 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.267 2.9 pp -62.66 -38.98 92.45 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.501 1.5 . . . . 0.0 112.386 176.236 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -62.29 -58.02 9.25 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.861 0.838 . . . . 0.0 110.867 176.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -53.9 -56.12 20.66 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.056 0.942 . . . . 0.0 111.332 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.401 HD13 ' CE2' ' B' ' 79' ' ' TYR . 85.2 mt -53.81 -53.94 23.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 C-N-CA 123.333 0.653 . . . . 0.0 110.707 -178.67 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.49 -37.54 73.12 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.722 -1.236 . . . . 0.0 112.559 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.5 m -60.53 -57.74 11.45 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.431 -0.793 . . . . 0.0 111.947 170.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -56.49 -39.87 74.0 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.142 1.777 . . . . 0.0 112.679 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -55.85 -42.18 75.42 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 119.895 -1.753 . . . . 0.0 111.31 167.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.4 m -71.4 -43.64 66.42 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.269 -1.519 . . . . 0.0 113.975 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -47.05 -52.57 14.71 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.704 0.684 . . . . 0.0 111.117 160.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -57.71 -39.0 76.21 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -54.73 -52.47 62.4 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.844 -1.16 . . . . 0.0 110.607 168.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.4 mt -55.68 -50.54 69.99 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -52.52 -45.41 66.27 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.052 -1.655 . . . . 0.0 112.448 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -72.62 -14.91 61.71 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 119.91 -1.744 . . . . 0.0 114.517 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -85.18 -35.08 21.91 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.461 1.905 . . . . 0.0 112.124 171.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -48.39 129.27 15.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.9 0.88 . . . . 0.0 112.923 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.23 150.53 0.13 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.719 2.008 . . . . 0.0 114.08 167.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.4 tt -134.17 117.76 16.89 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 153.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -69.45 15.12 0.08 Allowed 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -176.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 126.694 1.998 . . . . 0.0 116.179 175.333 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 p -82.49 -179.27 7.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.243 1.017 . . . . 0.0 111.001 168.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.7 29.7 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -160.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.7 p -59.7 -55.0 39.87 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.041 -1.037 . . . . 0.0 113.546 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 pm0 -65.24 -37.58 87.69 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.483 -1.385 . . . . 0.0 112.122 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -42.84 97.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.168 -0.957 . . . . 0.0 111.515 174.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.05 93.47 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.071 0.939 . . . . 0.0 112.28 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.61 -30.08 47.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 120.964 -1.085 . . . . 0.0 111.011 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.421 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 8.2 tp -75.2 -30.22 60.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.791 1.236 . . . . 0.0 112.417 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.02 -48.63 78.03 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.128 -0.983 . . . . 0.0 109.023 164.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HB3' HD21 ' B' ' 124' ' ' LEU . 1.2 mt -58.34 -38.17 76.61 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.714 -1.241 . . . . 0.0 113.167 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.725 ' CE1' HD12 ' B' ' 124' ' ' LEU . 19.4 m-85 -53.82 -46.78 71.25 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.106 -1.621 . . . . 0.0 113.13 167.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.47 -38.76 62.83 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 120.071 1.305 . . . . 0.0 112.858 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -48.31 -42.89 32.32 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.021 -1.049 . . . . 0.0 110.881 162.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.456 ' OG ' HD23 ' B' ' 124' ' ' LEU . 70.8 m -76.99 -13.45 59.96 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 54.69 76.89 0.22 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.943 2.097 . . . . 0.0 112.243 -162.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.7 mt -133.99 142.25 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.893 1.677 . . . . 0.0 111.472 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.408 ' H ' ' CD ' ' B' ' 119' ' ' GLU . 45.0 ttt180 -108.71 130.91 55.36 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.146 1.779 . . . . 0.0 110.751 169.496 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.8 mm -103.21 116.23 62.62 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 124.596 1.158 . . . . 0.0 111.214 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -48.06 127.83 15.64 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.328 2.685 . . . . 0.0 112.977 168.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.7 p -39.81 -51.22 2.41 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.133 2.173 . . . . 0.0 113.408 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -38.36 -57.62 1.1 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.82 1.648 . . . . 0.0 113.911 175.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.5 pt -69.46 -29.37 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 120.784 -1.198 . . . . 0.0 113.488 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.79 -45.43 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 O-C-N 120.913 -1.117 . . . . 0.0 110.252 168.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.62 -64.64 0.77 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.271 1.028 . . . . 0.0 110.715 175.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -51.98 -49.82 62.5 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 122.349 1.071 . . . . 0.0 110.759 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -52.42 53.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.874 175.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.37 -38.0 72.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 118.34 -0.838 . . . . 0.0 112.847 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -58.71 -55.12 39.18 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.732 1.151 . . . . 0.0 112.083 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -62.96 -38.34 90.72 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.389 -0.82 . . . . 0.0 112.162 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.24 53.61 2.2 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.566 1.146 . . . . 0.0 113.687 167.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.79 179.52 0.49 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.564 1.146 . . . . 0.0 112.064 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -121.38 -33.72 3.6 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -170.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.4 t -100.55 145.89 27.77 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.099 -1.001 . . . . 0.0 113.09 -176.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -47.53 -42.28 23.01 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.29 -0.881 . . . . 0.0 112.53 166.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -63.05 -37.61 87.88 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.93 -1.106 . . . . 0.0 113.089 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -67.58 -55.6 12.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.061 -0.4 . . . . 0.0 110.685 176.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.29 -37.33 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.063 -174.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.544 HD13 ' HD3' ' B' ' 126' ' ' ARG . 1.1 pp -65.61 -38.34 89.16 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 120.596 -1.315 . . . . 0.0 112.186 174.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.267 2.5 p30 -73.42 -45.55 53.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 117.897 -1.521 . . . . 0.0 111.315 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -56.8 -58.03 9.89 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 122.993 0.517 . . . . 0.0 111.501 172.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 71.3 mt -50.92 -56.51 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 O-C-N 121.477 -0.764 . . . . 0.0 110.839 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -29.69 70.3 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.092 -1.005 . . . . 0.0 112.47 -176.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.1 m -63.17 -55.29 26.37 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.131 -0.981 . . . . 0.0 112.468 168.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -64.05 -35.29 80.25 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.528 -1.357 . . . . 0.0 110.9 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -57.55 -36.69 71.97 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 119.772 -1.83 . . . . 0.0 111.909 167.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 85.2 m -66.2 -43.75 85.87 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.436 -1.415 . . . . 0.0 113.246 171.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -47.59 -51.86 19.75 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.682 0.673 . . . . 0.0 110.899 163.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -57.87 -40.96 81.47 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -52.22 -55.06 23.6 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.075 1.307 . . . . 0.0 110.145 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -57.58 -52.07 66.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.765 0.426 . . . . 0.0 112.105 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -45.05 -44.1 9.9 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.294 -1.504 . . . . 0.0 113.47 169.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -82.27 -12.07 58.26 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.767 -1.208 . . . . 0.0 113.424 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -81.37 -34.53 31.67 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.005 2.122 . . . . 0.0 111.604 170.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -51.61 149.25 4.61 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.096 0.559 . . . . 0.0 111.988 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -119.73 126.41 51.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.208 1.403 . . . . 0.0 111.825 -171.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.48 103.5 12.88 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.245 0.93 . . . . 0.0 109.959 171.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -69.38 1.91 3.47 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.6 1.16 . . . . 0.0 114.032 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? . . . . . 0 CA--C 1.536 0.407 0 C-N-CA 126.497 1.919 . . . . 0.0 112.794 -179.407 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 10.1 t -102.26 -178.99 3.86 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.661 1.585 . . . . 0.0 112.012 165.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.02 -66.91 0.2 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.232 1.813 . . . . 0.0 115.58 -167.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.2 p -58.09 -57.5 12.58 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -61.17 -31.57 71.31 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.957 1.253 . . . . 0.0 113.121 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.13 -51.55 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.103 -0.998 . . . . 0.0 111.169 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.61 77.03 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 123.17 1.462 . . . . 0.0 111.607 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.61 -31.44 52.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 121.088 -1.008 . . . . 0.0 112.212 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -29.89 65.74 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 169.009 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.32 -51.41 12.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.23 -43.11 64.11 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.482 -1.386 . . . . 0.0 111.952 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -52.79 -46.65 67.73 Favored 'General case' 0 C--O 1.227 -0.112 0 O-C-N 120.622 -1.299 . . . . 0.0 112.45 170.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -79.02 -25.89 43.24 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.62 -30.92 67.64 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 119.454 -2.029 . . . . 0.0 111.441 156.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -85.41 0.48 52.08 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 120.422 -1.424 . . . . 0.0 113.579 167.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.7 m120 41.65 60.79 2.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.667 2.787 . . . . 0.0 114.736 -163.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 11.0 mt -123.85 91.61 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.533 1.533 . . . . 0.0 112.409 -173.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 33.1 ttp85 -67.07 137.86 56.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.614 -1.304 . . . . 0.0 111.144 -177.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ILE . . . . . 0.459 HD13 ' NH1' ' B' ' 113' ' ' ARG . 33.4 mm -99.65 115.59 65.5 Favored Pre-proline 0 CA--C 1.545 0.775 0 O-C-N 120.082 -1.636 . . . . 0.0 111.22 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' PRO . . . . . 0.559 ' HD3' HH12 ' B' ' 113' ' ' ARG . 32.0 Cg_exo -53.6 141.2 64.12 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.392 2.061 . . . . 0.0 110.446 168.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t -56.28 -17.31 7.26 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.764 -0.585 . . . . 0.0 112.317 171.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.78 -10.62 57.96 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 129.869 3.268 . . . . 0.0 112.113 -176.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 mm -75.4 -52.14 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 120.244 -1.535 . . . . 0.0 108.884 154.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 71.0 mt -66.59 -30.92 51.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 124.352 1.061 . . . . 0.0 111.536 -169.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.22 -55.27 4.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.81 2.444 . . . . 0.0 111.931 169.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -72.93 -67.35 0.57 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.274 1.829 . . . . 0.0 110.699 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -52.76 11.01 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.87 1.268 . . . . 0.0 113.147 -159.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 83.6 t -53.02 -34.41 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.452 1.101 . . . . 0.0 113.306 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -69.67 -49.58 52.26 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.093 0.557 . . . . 0.0 112.137 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.18 69.6 2.74 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.737 1.256 . . . . 0.0 110.215 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -56.0 77.38 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.752 2.021 . . . . 0.0 115.66 -166.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.96 156.75 20.22 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.328 -0.858 . . . . 0.0 111.365 170.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -87.51 -55.28 3.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.485 1.514 . . . . 0.0 111.64 -168.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 44.0 t -106.02 150.69 25.5 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -167.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -32.31 -53.57 0.31 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.971 2.108 . . . . 0.0 111.7 156.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -61.4 -42.07 98.15 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.226 -0.922 . . . . 0.0 112.019 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -69.27 -46.83 66.29 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 123.877 0.871 . . . . 0.0 111.211 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.12 -42.28 95.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.975 176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.296 3.6 pp -65.81 -35.76 81.59 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.148 1.34 . . . . 0.0 112.984 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.35 -58.8 6.94 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.146 -0.971 . . . . 0.0 111.222 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -60.89 -44.55 96.95 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.793 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 85.4 mt -58.71 -52.45 59.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 O-C-N 120.864 -1.147 . . . . 0.0 112.278 173.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.88 -45.08 50.26 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 121.128 1.785 . . . . 0.0 110.982 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 11.5 m -57.01 -53.71 55.04 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.471 -0.768 . . . . 0.0 113.031 173.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.7 -27.88 69.21 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.703 -1.248 . . . . 0.0 113.422 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.559 HH12 ' HD3' ' B' ' 87' ' ' PRO . 66.6 mtp85 -68.33 -24.45 64.83 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 119.871 -1.768 . . . . 0.0 111.718 167.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.4 23.5 m -70.69 -40.14 73.09 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.637 -1.914 . . . . 0.0 114.995 161.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -51.73 -63.08 1.25 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 120.807 1.639 . . . . 0.0 111.518 162.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -55.16 -39.83 69.94 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -49.44 77.57 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.61 1.55 . . . . 0.0 112.097 170.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.66 -42.02 98.34 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.253 0.933 . . . . 0.0 111.95 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 85' ' ' ARG . 1.4 tm-20 -55.34 -49.31 72.56 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 123.475 1.607 . . . . 0.0 111.503 171.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.62 -33.61 73.03 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.125 -1.609 . . . . 0.0 112.778 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -75.54 -13.48 60.36 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.519 1.928 . . . . 0.0 113.631 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -76.49 45.17 0.38 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 -167.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER 32.53 103.97 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 130.734 3.613 . . . . 0.0 118.968 171.566 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.725 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -82.23 105.01 12.97 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.605 -1.309 . . . . 0.0 109.361 157.361 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -27.25 68.96 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.271 -0.893 . . . . 0.0 113.044 176.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.544 ' HD3' HD13 ' A' ' 106' ' ' LEU . 12.8 ptp180 . . . . . 0 N--CA 1.469 0.52 0 C-N-CA 126.944 2.098 . . . . 0.0 115.13 174.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.558 ' HB3' HG22 ' A' ' 73' ' ' VAL . 2.8 mm? . . . . . 0 CA--C 1.545 0.784 0 CA-C-O 120.444 0.164 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.513 ' O ' HG23 ' A' ' 73' ' ' VAL . 7.7 t -98.63 174.27 6.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.478 1.911 . . . . 0.0 113.143 170.508 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -33.68 -67.1 0.14 Allowed 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -167.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -63.14 -51.05 68.04 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -176.162 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -65.89 -33.54 76.06 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.44 -1.413 . . . . 0.0 112.807 178.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' A' ' 68' ' ' LEU . 40.4 t -62.87 -52.35 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 120.877 -1.139 . . . . 0.0 110.254 171.244 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.85 71.82 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 122.609 1.195 . . . . 0.0 111.233 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.96 -40.5 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 O-C-N 121.351 -0.843 . . . . 0.0 111.875 174.312 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.2 -33.38 75.36 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 171.437 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.39 -55.09 13.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.96 0.886 . . . . 0.0 108.769 175.142 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.4 mt -49.86 -40.88 44.01 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.064 -1.023 . . . . 0.0 112.409 171.236 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -53.84 -56.57 16.42 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.324 -1.485 . . . . 0.0 113.035 171.467 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.55 -31.87 62.25 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.523 1.056 . . . . 0.0 112.927 -174.087 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -52.49 -44.17 65.47 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 120.202 -1.562 . . . . 0.0 111.366 160.418 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.6 t -73.25 -2.95 23.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.695 1.198 . . . . 0.0 113.868 174.132 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 62.51 46.04 5.9 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 129.47 3.108 . . . . 0.0 113.545 -175.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.2 mt -113.5 107.05 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.211 1.004 . . . . 0.0 112.081 173.585 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.74 118.18 16.39 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 165.838 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.3 mm -77.31 124.93 86.99 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 120.394 -1.441 . . . . 0.0 110.542 174.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.83 131.25 19.38 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 121.958 1.772 . . . . 0.0 110.123 170.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 m -47.92 -36.66 12.73 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.432 1.893 . . . . 0.0 113.677 -170.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.89 -45.22 15.1 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 173.074 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.3 mm -50.49 -51.9 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.671 0.748 . . . . 0.0 110.64 170.653 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.6 mt -68.71 -46.24 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.028 -171.287 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -49.83 -49.2 49.9 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.745 0.818 . . . . 0.0 112.447 177.229 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -63.12 -64.26 0.96 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.299 1.44 . . . . 0.0 110.968 173.038 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -47.32 81.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.071 0.948 . . . . 0.0 113.095 -169.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.97 -38.72 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 O-C-N 120.88 -1.138 . . . . 0.0 111.741 172.042 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -63.24 1.19 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.466 0.575 . . . . 0.0 111.287 171.33 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -84.66 63.94 8.23 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 122.437 1.113 . . . . 0.0 112.3 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -55.23 103.62 0.1 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.338 1.055 . . . . 0.0 113.235 -178.504 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.5 mt -73.85 177.55 5.48 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.176 0.989 . . . . 0.0 112.794 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -64.55 -43.29 94.41 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.798 0.839 . . . . 0.0 112.887 -161.156 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -178.13 172.23 1.61 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.674 0.79 . . . . 0.0 110.883 -158.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 3.9 mp0 -43.35 -62.28 1.11 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.605 1.962 . . . . 0.0 113.53 -165.812 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -56.37 -37.3 69.89 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.035 -176.641 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -77.46 -43.18 33.23 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 124.791 1.236 . . . . 0.0 110.921 -173.235 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.3 m -62.98 -44.48 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.667 168.786 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.36 -37.5 74.63 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.709 -1.244 . . . . 0.0 112.208 -174.146 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -51.03 -58.76 5.25 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.116 0.967 . . . . 0.0 110.869 167.344 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -53.02 -56.33 16.88 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 123.123 0.569 . . . . 0.0 111.611 178.317 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.0 mt -53.46 -47.15 59.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.284 1.034 . . . . 0.0 111.724 178.231 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.79 -37.7 76.9 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 119.745 -1.847 . . . . 0.0 112.756 173.217 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.8 m -66.07 -54.43 25.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.005 0.922 . . . . 0.0 112.618 174.51 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.9 -34.06 75.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.854 1.261 . . . . 0.0 111.705 175.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -63.95 -29.64 70.79 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 119.888 -1.757 . . . . 0.0 112.219 166.833 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.333 93.7 m -69.95 -39.51 76.02 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 120.497 -1.377 . . . . 0.0 114.316 169.004 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -50.27 -61.17 2.32 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.72 1.145 . . . . 0.0 111.061 159.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -52.31 -42.3 63.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -50.3 -49.95 52.11 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.796 -1.19 . . . . 0.0 111.533 172.568 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.52 -48.08 82.01 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.541 1.064 . . . . 0.0 112.458 172.793 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.26 -10.52 24.23 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 172.581 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -102.21 -2.71 28.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.945 1.698 . . . . 0.0 112.471 170.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -101.73 -52.18 3.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.856 2.062 . . . . 0.0 111.467 -174.868 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -46.3 133.32 9.64 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.353 1.061 . . . . 0.0 112.46 177.384 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -97.19 128.26 43.91 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.622 -1.299 . . . . 0.0 111.897 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.783 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.5 OUTLIER -78.54 100.33 6.87 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.234 -0.916 . . . . 0.0 109.16 172.848 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -67.97 -4.4 13.04 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.326 -1.484 . . . . 0.0 114.131 -175.144 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 . . . . . 0 N--CA 1.465 0.282 0 C-N-CA 126.218 1.807 . . . . 0.0 113.646 163.046 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 122.002 0.906 . . . . 0.0 113.068 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.5 t -91.3 -167.76 1.88 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.402 -0.812 . . . . 0.0 112.581 165.061 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.48 -68.28 0.2 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -164.405 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 83.7 m -61.58 -47.38 85.75 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.141 -0.975 . . . . 0.0 112.738 -173.281 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 pm0 -65.58 -38.45 89.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.793 0.837 . . . . 0.0 111.649 -178.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.97 -49.38 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 O-C-N 121.169 -0.957 . . . . 0.0 111.034 168.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.84 -40.16 63.12 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.605 1.193 . . . . 0.0 111.348 176.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.7 t -71.75 -37.86 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 123.929 0.892 . . . . 0.0 112.371 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.06 -34.35 76.09 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 169.134 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.33 -50.69 44.13 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -49.56 -38.41 31.08 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.849 -1.157 . . . . 0.0 113.008 168.875 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.783 ' CE1' HD12 ' A' ' 124' ' ' LEU . 13.9 m-85 -56.48 -54.24 48.07 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 120.16 -1.588 . . . . 0.0 113.061 169.858 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.279 15.9 mm-40 -79.67 -22.7 43.16 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.962 1.256 . . . . 0.0 114.122 -175.09 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -52.59 -41.85 64.01 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.145 -1.597 . . . . 0.0 111.079 155.681 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 16.3 m -80.22 2.74 23.2 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 172.769 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 45.63 65.26 1.18 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.109 1.764 . . . . 0.0 112.343 -165.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 79.2 mt -124.07 103.37 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.579 1.152 . . . . 0.0 111.545 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 138.46 57.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.035 168.349 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 13.5 mm -108.38 129.99 23.34 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 125.635 1.574 . . . . 0.0 110.229 176.019 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -62.17 143.67 94.75 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.822 2.348 . . . . 0.0 112.752 169.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 61.1 p -48.4 -58.31 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.116 1.766 . . . . 0.0 112.664 173.389 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -40.52 -54.26 2.54 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.811 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 90' ' ' ILE . . . . . 0.501 HG23 ' HE1' ' B' ' 116' ' ' TRP 0.25 15.2 pt -64.46 -35.02 73.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 O-C-N 120.678 -1.263 . . . . 0.0 113.168 177.303 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.28 -50.49 80.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 120.538 1.517 . . . . 0.0 111.224 171.216 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -48.36 -50.45 30.53 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.183 1.793 . . . . 0.0 111.318 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.86 -58.36 5.78 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.631 0.772 . . . . 0.0 111.89 172.41 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.2 tm? -55.29 -39.71 70.21 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.696 1.198 . . . . 0.0 113.105 -164.833 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 71.6 t -46.5 -49.4 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 O-C-N 121.268 -0.895 . . . . 0.0 112.56 168.407 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -65.82 -40.6 91.99 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.083 -1.011 . . . . 0.0 112.216 174.23 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -59.6 -35.0 73.45 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.392 -0.817 . . . . 0.0 112.456 176.429 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . 0.313 0.0 OUTLIER 26.17 59.32 0.07 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 128.155 2.582 . . . . 0.0 116.588 -178.192 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.0 156.06 15.53 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.327 -0.858 . . . . 0.0 111.629 176.507 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -72.02 -57.92 3.87 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 120.737 -1.227 . . . . 0.0 110.41 -152.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.0 p -96.51 163.92 12.83 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -39.85 -53.81 2.23 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.914 2.085 . . . . 0.0 111.269 161.708 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -59.14 -40.09 84.42 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.388 0.675 . . . . 0.0 112.503 -178.19 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -68.9 -47.49 65.69 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.881 -0.512 . . . . 0.0 111.739 178.197 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.03 -43.27 97.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.998 178.66 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.274 3.3 pp -67.64 -33.79 75.66 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.765 -1.21 . . . . 0.0 112.69 178.46 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -55.35 -62.39 1.7 Allowed 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.761 -1.212 . . . . 0.0 111.364 168.229 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 108' ' ' TYR . . . . . 0.491 ' CD2' HD23 ' B' ' 94' ' ' LEU . 82.1 t80 -52.29 -53.28 46.15 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.773 0.829 . . . . 0.0 111.705 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 87.7 mt -56.11 -55.34 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 123.676 0.79 . . . . 0.0 111.454 177.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -50.31 -40.29 48.3 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 120.683 1.583 . . . . 0.0 112.151 174.192 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.3 m -64.86 -59.46 4.18 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.076 0.95 . . . . 0.0 113.151 176.416 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.78 -34.75 78.6 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.509 -1.369 . . . . 0.0 111.977 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -56.88 -33.38 66.8 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.194 -1.566 . . . . 0.0 112.643 165.514 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.252 72.7 m -73.11 -31.93 64.64 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.582 -1.324 . . . . 0.0 114.247 167.894 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -58.29 6.29 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.192 1.36 . . . . 0.0 110.549 159.276 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 116' ' ' TRP . . . . . 0.501 ' HE1' HG23 ' B' ' 90' ' ' ILE . 23.1 m95 -52.68 -43.63 65.7 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.934 -1.104 . . . . 0.0 113.764 174.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -49.25 -53.54 21.12 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.261 -0.9 . . . . 0.0 110.806 171.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.36 -53.17 61.26 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 176.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -49.42 -38.26 28.54 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.16 1.346 . . . . 0.0 112.676 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -87.53 -6.81 58.18 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -88.46 -39.63 14.09 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.163 2.185 . . . . 0.0 110.731 169.54 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -54.62 134.87 47.03 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.186 0.995 . . . . 0.0 113.039 174.184 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 140.68 58.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.702 1.601 . . . . 0.0 114.085 171.481 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 24.4 tp -95.7 102.14 13.91 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.39 1.45 . . . . 0.0 110.795 144.203 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.67 -7.87 12.33 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -177.875 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 125.815 1.646 . . . . 0.0 113.886 -177.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 p -104.82 -155.54 0.54 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.402 1.081 . . . . 0.0 111.651 168.488 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.95 -69.05 0.12 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -158.692 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.3 p -65.52 -43.19 90.82 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.8 0.809 . . . . 0.0 112.436 -170.076 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -68.83 -40.87 79.21 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.559 1.144 . . . . 0.0 110.904 -177.113 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.9 -46.06 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 121.197 -0.939 . . . . 0.0 111.172 171.145 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.4 -40.8 75.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.936 0.874 . . . . 0.0 111.596 -179.73 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.453 HG12 ' CE2' ' A' ' 79' ' ' TYR 0.278 16.0 t -79.1 -32.18 15.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 121.42 -0.8 . . . . 0.0 112.704 176.576 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.34 -34.74 75.77 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.245 -1.534 . . . . 0.0 114.478 168.702 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -55.21 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 169.132 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.8 mt -51.86 -37.02 50.41 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 118.54 -0.743 . . . . 0.0 112.411 177.673 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.463 ' CE1' HD12 ' B' ' 124' ' ' LEU . 26.6 m-85 -62.4 -71.24 0.16 Allowed 'General case' 0 C--O 1.239 0.504 0 CA-C-N 120.818 1.645 . . . . 0.0 113.05 166.606 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -70.06 -40.35 75.11 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.961 0.41 . . . . 0.0 110.387 -161.327 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -65.31 -41.0 94.48 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.164 -0.96 . . . . 0.0 112.533 173.23 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.8 t -58.26 -42.78 87.21 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 120.406 -1.434 . . . . 0.0 111.425 170.49 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . 0.262 20.3 p-10 125.39 18.39 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 130.463 3.505 . . . . 0.0 114.399 173.848 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 84' ' ' ILE . 3.2 mp -84.92 114.36 25.0 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 C-N-CA 125.642 1.577 . . . . 0.0 109.058 171.053 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -79.1 116.91 19.68 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.053 165.779 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.3 mm -77.07 136.62 65.81 Favored Pre-proline 0 CA--C 1.548 0.869 0 O-C-N 120.852 -1.155 . . . . 0.0 111.841 176.407 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -74.87 130.8 13.76 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 121.537 1.491 . . . . 0.0 109.618 169.212 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 p -48.73 -39.65 25.57 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.957 1.703 . . . . 0.0 114.326 -175.757 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -40.17 -60.31 1.09 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.902 1.281 . . . . 0.0 113.76 174.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.25 19.4 pt -65.35 -27.7 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 120.199 -1.563 . . . . 0.0 112.683 178.73 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.58 -43.68 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 120.754 -1.216 . . . . 0.0 111.335 170.06 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -47.24 -60.23 2.63 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.819 0.848 . . . . 0.0 111.628 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.81 -46.39 65.79 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 178.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.47 -45.55 73.18 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.542 -1.349 . . . . 0.0 112.314 -178.121 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.64 -35.82 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 121.095 -1.003 . . . . 0.0 113.213 170.628 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -67.34 -64.15 0.92 Allowed 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.28 -0.887 . . . . 0.0 110.755 172.367 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -60.3 -46.88 88.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.561 1.144 . . . . 0.0 113.061 -174.051 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 56.69 73.23 0.46 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.54 1.136 . . . . 0.0 112.833 162.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.94 165.79 24.5 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.449 -172.871 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.12 -25.2 51.87 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -157.5 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -150.79 167.87 26.14 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -46.47 -40.84 13.06 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.734 2.014 . . . . 0.0 112.73 -178.602 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -55.54 -52.17 64.61 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.77 1.228 . . . . 0.0 111.658 175.875 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.39 -44.44 78.87 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.659 -0.651 . . . . 0.0 111.528 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.01 -38.38 81.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.188 177.785 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 3.7 pp -65.2 -37.55 87.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.782 1.628 . . . . 0.0 111.541 174.444 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.23 -57.78 11.34 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.043 0.838 . . . . 0.0 111.467 174.762 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -49.25 -58.61 4.74 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.504 -0.748 . . . . 0.0 111.221 173.864 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.451 HG21 ' CE2' ' A' ' 79' ' ' TYR . 91.0 mt -60.16 -52.22 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 121.349 -0.845 . . . . 0.0 111.014 -172.634 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.96 -39.83 86.97 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.778 -1.201 . . . . 0.0 112.154 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.3 p -62.91 -51.5 66.7 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.026 -1.046 . . . . 0.0 112.948 172.503 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -70.88 -35.72 72.46 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.446 1.475 . . . . 0.0 112.343 -177.683 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -53.26 -32.82 50.38 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.978 -1.701 . . . . 0.0 111.792 161.525 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.302 96.9 m -78.8 -33.09 46.52 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 119.967 -1.708 . . . . 0.0 114.565 172.335 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -50.24 -58.45 5.59 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.991 1.269 . . . . 0.0 110.237 156.809 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -54.21 -39.27 66.55 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -49.3 75.05 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.138 -1.601 . . . . 0.0 112.391 173.165 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.13 -35.18 79.91 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.512 -0.743 . . . . 0.0 112.167 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -54.66 -62.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.428 1.091 . . . . 0.0 110.447 168.319 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -61.75 -12.57 17.53 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.887 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -75.28 -32.27 60.98 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.157 1.383 . . . . 0.0 113.062 168.612 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -63.61 135.57 56.88 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.052 -1.03 . . . . 0.0 113.61 -179.472 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 131.97 44.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.771 3.228 . . . . 0.0 115.744 178.793 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.0 tp -86.9 109.31 19.24 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.251 1.387 . . . . 0.0 110.327 149.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.48 26.04 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 179.344 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? . . . . . 0 CA--C 1.544 0.723 0 C-N-CA 126.74 2.016 . . . . 0.0 115.484 -169.531 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.543 0.687 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -116.39 -171.69 2.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.295 2.238 . . . . 0.0 110.89 168.053 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -35.09 -66.16 0.19 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.502 1.921 . . . . 0.0 115.997 -166.206 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.6 m -65.37 -55.87 15.72 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.212 -0.93 . . . . 0.0 113.141 -170.101 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -59.13 -43.52 91.99 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.086 -1.009 . . . . 0.0 111.416 176.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.1 -44.65 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 120.901 -1.124 . . . . 0.0 110.992 174.048 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.62 81.41 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.522 1.153 . . . . 0.0 111.61 176.288 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . 0.254 7.0 t -72.21 -37.28 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 120.818 -1.176 . . . . 0.0 112.421 178.306 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -40.33 80.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.587 1.155 . . . . 0.0 113.588 168.301 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -56.18 17.61 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 122.16 0.981 . . . . 0.0 109.041 174.857 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 80.3 mt -54.84 -36.17 64.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.458 -0.776 . . . . 0.0 112.361 178.346 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -51.95 -58.22 7.14 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.928 1.24 . . . . 0.0 112.328 168.242 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -73.7 -26.94 60.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -173.58 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -56.43 -47.56 78.8 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.7 -1.25 . . . . 0.0 111.068 158.481 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -18.38 63.27 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 169.3 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 3.9 m120 75.26 66.12 0.07 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 130.008 3.323 . . . . 0.0 111.489 -175.509 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 55.4 mt -134.92 106.73 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.627 1.971 . . . . 0.0 112.69 -177.687 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -71.06 133.5 46.33 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.798 -0.564 . . . . 0.0 110.091 165.188 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.23 127.48 38.3 Favored Pre-proline 0 CA--C 1.541 0.634 0 O-C-N 121.036 -1.04 . . . . 0.0 110.49 175.158 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.4 114.73 4.12 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 121.297 1.331 . . . . 0.0 109.236 170.869 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -29.59 -43.32 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 128.856 2.862 . . . . 0.0 116.299 -175.776 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -41.21 -48.64 3.52 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.736 1.214 . . . . 0.0 113.51 173.122 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 27.6 mm -44.94 -60.55 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 123.667 0.787 . . . . 0.0 110.866 169.109 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.9 -46.64 96.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.513 1.125 . . . . 0.0 110.468 -174.341 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.31 -62.35 1.53 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.276 1.831 . . . . 0.0 110.255 177.842 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.35 -51.71 64.78 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.954 -1.091 . . . . 0.0 112.235 178.652 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -53.1 35.13 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.495 1.118 . . . . 0.0 111.984 -175.837 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 49.0 t -52.44 -53.11 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.811 0.844 . . . . 0.0 112.069 171.363 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -60.3 -53.59 55.78 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.722 0.772 . . . . 0.0 113.008 -176.233 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -59.66 -35.79 75.15 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.935 -1.103 . . . . 0.0 111.297 176.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? 69.27 71.84 0.26 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.288 1.435 . . . . 0.0 112.75 167.521 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.19 165.4 24.45 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.474 0.709 . . . . 0.0 110.336 163.084 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -112.07 -70.53 0.8 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.121 0.968 . . . . 0.0 112.704 -166.822 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -70.42 147.14 49.82 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -167.588 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.31 64.78 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.579 2.751 . . . . 0.0 109.502 168.886 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 178.7 -52.18 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 129.982 3.313 . . . . 0.0 109.691 -174.214 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.06 -48.09 73.95 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 120.783 -1.198 . . . . 0.0 111.145 176.531 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 24.3 m -59.59 -43.02 90.1 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.064 -176.826 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.05 -36.53 75.06 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 118.924 -1.11 . . . . 0.0 112.105 177.384 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -59.96 -51.74 68.4 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.27 0.941 . . . . 0.0 110.065 178.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -56.98 -55.7 31.29 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.758 0.823 . . . . 0.0 112.083 174.385 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.91 -54.53 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 123.487 0.715 . . . . 0.0 111.371 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -55.01 -41.0 70.74 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.302 -1.499 . . . . 0.0 112.276 177.682 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 84.0 m -60.13 -54.96 39.66 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.097 -1.002 . . . . 0.0 112.426 172.071 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.59 -30.02 68.68 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 120.42 -1.425 . . . . 0.0 113.492 -177.518 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -59.24 -42.72 91.76 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 120.359 -1.463 . . . . 0.0 110.147 164.552 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.295 88.5 m -58.67 -44.72 90.29 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.919 -1.113 . . . . 0.0 113.764 172.149 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -48.97 -57.32 6.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.044 0.838 . . . . 0.0 111.594 161.584 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -53.77 -44.68 70.25 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.153 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.277 19.2 pttm -58.06 -41.87 84.25 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 119.856 -1.778 . . . . 0.0 112.921 171.482 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.78 -42.48 95.04 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.448 1.022 . . . . 0.0 112.844 174.198 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -53.5 -48.19 69.2 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.103 -1.623 . . . . 0.0 111.464 171.648 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.43 -11.35 32.36 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.564 1.546 . . . . 0.0 113.343 173.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -106.98 -27.79 10.44 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.486 1.914 . . . . 0.0 113.596 -177.601 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -41.73 135.3 2.28 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.788 1.235 . . . . 0.0 113.261 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.73 121.82 11.35 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -175.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -109.67 108.58 19.03 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 159.008 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -76.79 31.14 0.13 Allowed 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -175.173 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 127.636 2.374 . . . . 0.0 115.898 -178.843 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.0 p -111.32 -153.67 0.52 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.797 1.639 . . . . 0.0 111.552 171.09 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.56 -74.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -157.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.2 p -60.07 -47.77 84.5 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -174.388 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -63.18 -42.61 99.41 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.354 -0.841 . . . . 0.0 111.666 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.12 -46.25 88.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 O-C-N 121.201 -0.937 . . . . 0.0 111.492 173.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.08 76.42 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 122.223 1.011 . . . . 0.0 111.461 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.593 HG21 HG23 ' A' ' 105' ' ' VAL . 30.5 t -70.12 -36.74 69.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 O-C-N 121.538 -0.726 . . . . 0.0 112.12 175.339 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.92 -40.0 91.52 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 168.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.46 -50.23 66.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.604 -0.685 . . . . 0.0 109.216 176.867 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.5 mt -45.81 -48.94 15.63 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.089 -1.007 . . . . 0.0 112.22 170.395 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -50.17 -53.64 26.41 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.777 -1.202 . . . . 0.0 113.071 173.721 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -82.54 -25.11 33.67 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -173.003 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -48.77 -44.4 38.72 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.162 -1.586 . . . . 0.0 109.606 154.165 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 m -78.29 -2.22 36.94 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 175.453 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 48.86 68.62 0.68 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.741 2.816 . . . . 0.0 114.447 -165.286 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.2 mt -126.37 110.75 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 124.819 1.247 . . . . 0.0 110.314 175.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -66.84 140.33 57.8 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 118.054 -1.458 . . . . 0.0 110.011 165.794 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.1 mm -104.35 125.66 33.61 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 125.002 1.321 . . . . 0.0 108.286 167.852 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.82 135.62 23.88 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 N-CA-C 108.535 -1.371 . . . . 0.0 108.535 175.537 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -39.12 1.34 Allowed 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 126.568 1.947 . . . . 0.0 113.292 -177.519 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.94 -46.63 16.29 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.421 1.488 . . . . 0.0 113.674 174.798 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.0 mm -54.54 -51.9 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 O-C-N 121.382 -0.824 . . . . 0.0 110.289 171.811 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.69 -43.85 93.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.098 0.559 . . . . 0.0 110.661 -171.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -47.07 -59.72 2.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.303 1.441 . . . . 0.0 111.258 170.667 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -57.82 -59.37 5.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.036 0.935 . . . . 0.0 110.622 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -51.52 62.79 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.856 0.836 . . . . 0.0 112.043 -174.889 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.35 -23.8 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.231 1.012 . . . . 0.0 112.787 177.023 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -68.78 -57.5 5.52 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.857 1.208 . . . . 0.0 111.47 162.644 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -59.38 -45.02 92.6 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -172.714 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.15 71.37 0.45 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 174.37 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.9 mt -70.22 -175.95 1.08 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.977 1.311 . . . . 0.0 110.974 164.066 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -142.1 -25.56 0.66 Allowed 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -172.49 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -100.24 140.58 34.28 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.011 1.278 . . . . 0.0 113.704 -178.158 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 67.5 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 128.876 2.871 . . . . 0.0 110.021 170.422 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 174.8 -55.64 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 129.16 2.984 . . . . 0.0 108.498 -167.811 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -59.41 -51.59 69.25 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.589 0.755 . . . . 0.0 110.7 176.269 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.593 HG23 HG21 ' A' ' 75' ' ' VAL . 2.5 m -57.13 -46.72 84.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.137 177.436 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.27 1.2 pp -68.19 -39.48 82.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 118.797 -1.161 . . . . 0.0 112.183 -178.387 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.259 9.9 p30 -71.55 -42.29 68.04 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.23 1.377 . . . . 0.0 112.289 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.16 -55.48 34.38 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.924 0.889 . . . . 0.0 111.707 172.089 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -54.01 -49.04 63.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 O-C-N 120.739 -1.226 . . . . 0.0 111.254 176.042 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -60.27 -41.01 92.4 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.752 -1.218 . . . . 0.0 113.166 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 p -64.79 -49.8 69.25 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.855 -1.153 . . . . 0.0 112.541 172.95 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.85 -34.51 77.51 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.559 -1.338 . . . . 0.0 112.218 175.706 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -65.36 -20.94 66.61 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 119.924 -1.735 . . . . 0.0 111.847 169.327 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.274 90.9 m -83.54 -38.18 22.05 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 119.433 -2.042 . . . . 0.0 114.271 168.269 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -47.78 -57.86 5.07 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.669 1.122 . . . . 0.0 110.295 157.584 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -55.38 -38.77 69.3 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -55.45 -58.35 8.1 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.476 -1.39 . . . . 0.0 112.683 167.311 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.5 mt -56.98 -44.76 83.02 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.292 1.044 . . . . 0.0 111.925 -177.45 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -55.21 -51.65 65.9 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.62 1.168 . . . . 0.0 111.901 171.706 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -72.2 -10.5 59.87 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.175 -1.578 . . . . 0.0 114.559 176.061 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -39.13 84.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.453 1.101 . . . . 0.0 111.427 165.084 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -54.5 131.67 43.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -106.79 133.06 52.03 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.715 2.006 . . . . 0.0 111.41 -173.564 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.431 HD22 ' CD1' ' B' ' 79' ' ' TYR . 16.6 tp -84.45 98.76 10.26 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.391 0.996 . . . . 0.0 110.138 173.888 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -63.74 -10.42 19.56 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.394 -1.441 . . . . 0.0 112.828 177.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . 0.285 13.9 ptp180 . . . . . 0 CA--C 1.537 0.459 0 C-N-CA 128.116 2.566 . . . . 0.0 116.434 155.467 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.262 10.9 mp . . . . . 0 CA--C 1.542 0.644 0 CA-C-O 122.658 1.218 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 16.9 t -89.78 -175.97 4.81 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.17 1.788 . . . . 0.0 112.378 170.09 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.0 -71.28 0.08 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -169.047 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.3 p -59.32 -45.48 91.21 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.051 -1.031 . . . . 0.0 113.379 -175.292 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.94 -37.04 85.01 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.009 0.923 . . . . 0.0 111.616 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.84 -51.9 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 120.953 -1.092 . . . . 0.0 111.701 170.592 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.86 66.1 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.602 1.192 . . . . 0.0 111.416 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 t -70.92 -40.46 76.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.432 173.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.15 -29.13 69.6 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 169.229 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.17 -55.19 7.69 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.668 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 34.2 mt -48.86 -41.28 32.63 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.39 -0.819 . . . . 0.0 111.957 170.31 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.431 ' CD1' HD22 ' A' ' 124' ' ' LEU . 7.4 m-85 -54.6 -54.68 38.29 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 120.683 -1.261 . . . . 0.0 112.836 171.576 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.266 57.7 mm-40 -73.64 -20.16 60.65 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.357 1.435 . . . . 0.0 113.381 -178.765 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -58.77 -31.79 68.7 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 119.898 -1.752 . . . . 0.0 111.914 157.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 68.6 m -87.92 9.78 20.97 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.353 -1.467 . . . . 0.0 113.434 167.63 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 35.31 57.34 0.83 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.704 2.002 . . . . 0.0 113.926 -160.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' B' ' 113' ' ' ARG . 21.2 mt -105.26 104.78 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.528 1.131 . . . . 0.0 112.622 -178.071 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.69 115.64 15.58 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.921 0.867 . . . . 0.0 109.593 169.243 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 50.1 mm -82.63 130.77 57.21 Favored Pre-proline 0 CA--C 1.548 0.882 0 O-C-N 120.562 -1.336 . . . . 0.0 109.967 173.557 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.36 153.76 26.67 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.069 2.513 . . . . 0.0 112.943 169.762 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -53.16 -56.41 16.56 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.85 0.86 . . . . 0.0 112.385 171.844 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -41.92 -56.55 2.71 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.88 1.272 . . . . 0.0 113.312 178.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 33.9 mm -43.22 -56.26 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.985 0.422 . . . . 0.0 111.036 172.035 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.34 -47.32 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 O-C-N 121.448 -0.783 . . . . 0.0 110.804 -175.87 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.41 -55.79 22.14 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.86 1.264 . . . . 0.0 111.155 -179.57 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.45 -57.8 11.22 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.593 1.157 . . . . 0.0 110.775 174.072 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -50.71 70.32 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.519 -0.738 . . . . 0.0 112.129 -170.528 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.04 -46.36 54.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 O-C-N 120.949 -1.095 . . . . 0.0 111.95 168.401 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -46.51 61.05 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.848 -1.157 . . . . 0.0 113.412 171.453 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -69.47 -70.23 0.29 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.301 0.955 . . . . 0.0 111.94 175.262 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 62.71 88.07 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.826 2.45 . . . . 0.0 114.509 -168.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.35 168.38 16.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.171 163.595 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.07 -63.47 1.35 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.061 -1.024 . . . . 0.0 111.301 -167.425 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 45.2 t -83.51 149.17 26.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 122.104 0.954 . . . . 0.0 113.097 -175.44 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -31.62 -55.33 0.27 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.467 1.907 . . . . 0.0 111.524 153.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -57.75 -41.63 82.28 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.204 -0.935 . . . . 0.0 112.747 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -71.18 -48.92 48.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.139 0.576 . . . . 0.0 110.592 -175.875 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.77 -41.58 93.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.357 174.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.308 2.2 pp -70.73 -33.3 70.7 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.691 1.132 . . . . 0.0 112.661 -178.42 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -56.2 -60.91 2.82 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.981 -1.075 . . . . 0.0 111.558 166.812 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -51.16 -55.22 19.0 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.478 1.111 . . . . 0.0 111.298 179.709 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.1 mt -55.8 -56.52 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 123.943 0.897 . . . . 0.0 111.46 177.437 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -49.38 -47.19 47.84 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 121.087 1.767 . . . . 0.0 111.791 177.571 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 22.2 m -55.94 -56.04 25.46 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.602 -0.686 . . . . 0.0 111.812 174.398 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -61.12 -34.35 74.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 178.846 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.564 ' CZ ' HG23 ' B' ' 84' ' ' ILE . 38.7 mtp180 -57.44 -36.55 71.53 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 119.73 -1.857 . . . . 0.0 110.783 168.269 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.295 77.3 m -72.9 -35.71 67.15 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 172.703 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -53.36 -57.52 10.3 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.993 1.27 . . . . 0.0 111.205 161.729 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -54.79 -45.03 74.24 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.227 -0.921 . . . . 0.0 113.147 179.172 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -45.41 -51.2 11.69 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.981 -1.074 . . . . 0.0 111.656 168.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.57 -45.84 88.59 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 175.675 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -54.86 -33.88 62.32 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 119.912 -1.743 . . . . 0.0 112.751 170.283 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -75.13 -7.21 53.14 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 119.994 -1.691 . . . . 0.0 112.805 175.618 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -111.73 -42.63 3.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.252 2.221 . . . . 0.0 113.434 -173.089 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -36.35 139.42 0.17 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 126.032 1.733 . . . . 0.0 114.956 178.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 130.03 43.02 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -178.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 17.4 tp -119.01 116.44 26.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.532 1.133 . . . . 0.0 109.733 157.711 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.52 23.65 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -174.382 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? . . . . . 0 CA--C 1.545 0.763 0 C-N-CA 126.772 2.029 . . . . 0.0 114.705 177.841 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.8 t -102.14 -170.36 1.8 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.518 1.927 . . . . 0.0 112.342 170.378 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.67 -63.56 1.02 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -168.265 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.5 p -66.18 -46.0 78.9 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.197 -0.939 . . . . 0.0 112.828 -171.375 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -67.22 -35.04 78.76 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.956 -1.09 . . . . 0.0 112.23 176.504 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.7 t -69.3 -42.78 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 O-C-N 120.687 -1.258 . . . . 0.0 112.217 173.682 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.39 64.14 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 122.418 1.104 . . . . 0.0 111.332 171.601 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.19 -35.92 60.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 123.469 0.708 . . . . 0.0 112.307 174.125 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mt -58.17 -33.7 69.51 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 168.32 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.23 -52.3 19.78 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.387 -0.821 . . . . 0.0 109.634 178.009 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 mt -56.84 -31.39 64.72 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.049 -1.032 . . . . 0.0 112.007 174.205 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CE1' HD12 ' B' ' 124' ' ' LEU . 9.6 m-85 -55.67 -58.63 7.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 120.764 -1.21 . . . . 0.0 113.43 165.108 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.28 52.4 mm-40 -72.49 -21.81 61.15 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 121.256 1.844 . . . . 0.0 113.622 -177.42 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -54.61 -40.19 68.65 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 119.973 -1.704 . . . . 0.0 111.674 158.441 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 p -84.42 9.22 13.86 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.234 -1.542 . . . . 0.0 114.214 171.003 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 39.86 58.2 2.15 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.307 2.243 . . . . 0.0 113.892 -163.699 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.688 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 22.9 mt -110.22 98.75 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.371 1.068 . . . . 0.0 113.256 178.053 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -68.63 129.33 39.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 118.739 -1.184 . . . . 0.0 109.417 164.507 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.9 mm -88.83 129.98 46.57 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.447 -0.783 . . . . 0.0 110.631 175.701 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.06 132.3 48.54 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.977 1.785 . . . . 0.0 112.187 169.819 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.8 m -41.17 -39.33 1.28 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.782 0.833 . . . . 0.0 112.922 168.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -36.9 81.33 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 178.517 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.7 mm -53.98 -54.16 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 O-C-N 120.743 -1.223 . . . . 0.0 109.294 167.297 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.66 -45.98 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 121.942 -0.474 . . . . 0.0 110.077 -168.651 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -41.96 -51.56 4.37 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.114 1.766 . . . . 0.0 112.829 173.121 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.47 -62.83 1.3 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.508 1.523 . . . . 0.0 111.187 174.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -44.28 74.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.168 1.387 . . . . 0.0 113.438 -170.075 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.2 t -51.41 -36.73 17.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 120.896 -1.127 . . . . 0.0 112.246 171.055 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -51.02 13.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.113 1.365 . . . . 0.0 113.111 174.145 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -57.67 -46.03 84.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.987 0.898 . . . . 0.0 111.781 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 47.4 69.38 0.52 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.808 2.443 . . . . 0.0 115.578 172.693 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.9 161.28 10.73 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.393 169.574 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -86.09 -63.69 1.28 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 122.134 0.968 . . . . 0.0 110.329 -158.731 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 m -78.87 145.58 34.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 122.319 1.057 . . . . 0.0 112.603 -176.237 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -31.75 -52.8 0.25 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.804 2.041 . . . . 0.0 112.593 159.247 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -67.94 -33.04 73.91 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.295 -1.503 . . . . 0.0 112.576 -179.427 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.88 -49.05 69.47 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.332 -0.855 . . . . 0.0 111.691 176.467 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.0 -41.79 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.917 -178.011 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.67 -39.72 88.27 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 118.272 -1.371 . . . . 0.0 112.234 174.844 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -52.77 -55.54 22.17 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 120.947 -1.096 . . . . 0.0 110.857 174.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -57.04 -67.21 0.34 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.008 1.323 . . . . 0.0 111.432 177.753 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.3 mt -48.15 -50.44 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 124.177 0.991 . . . . 0.0 111.586 -177.888 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.88 -45.53 82.47 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.871 -1.143 . . . . 0.0 112.071 -179.478 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.9 m -58.37 -55.12 39.07 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.227 -0.92 . . . . 0.0 111.599 170.386 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -54.37 -28.97 46.84 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.401 1.881 . . . . 0.0 112.241 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.688 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 36.2 ttt-85 -75.61 -41.51 54.17 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.213 -1.554 . . . . 0.0 112.293 176.485 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 m -63.57 -37.41 87.22 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.503 -1.373 . . . . 0.0 112.652 166.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -51.26 -59.61 4.02 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.075 0.852 . . . . 0.0 110.869 163.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -48.0 -48.18 32.78 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 177.793 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -47.51 -50.43 23.49 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.473 -0.767 . . . . 0.0 112.506 173.291 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.64 -41.51 75.52 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 176.295 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -56.59 -37.47 70.68 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.041 -1.662 . . . . 0.0 111.537 174.879 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -73.82 2.08 9.17 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.54 1.536 . . . . 0.0 113.779 174.031 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.68 -31.57 8.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.853 2.061 . . . . 0.0 112.508 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -50.91 141.89 12.71 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -175.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 122.33 8.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 129.309 3.044 . . . . 0.0 115.264 -178.79 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -117.53 122.91 44.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.142 0.977 . . . . 0.0 109.335 154.247 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.55 23.65 0.09 Allowed 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -178.095 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 CA--C 1.545 0.774 0 C-N-CA 125.892 1.677 . . . . 0.0 113.148 -172.934 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.545 0.777 0 CA-C-O 122.454 1.121 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -176.36 4.52 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.903 0.881 . . . . 0.0 111.687 164.159 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.88 -58.27 4.1 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -171.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -42.22 81.26 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.212 -0.93 . . . . 0.0 112.259 -173.919 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -71.17 -30.84 66.93 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.66 -0.65 . . . . 0.0 111.897 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.32 -47.87 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 O-C-N 120.437 -1.414 . . . . 0.0 111.453 166.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.18 80.86 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 122.017 0.913 . . . . 0.0 111.548 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -43.6 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 O-C-N 121.169 -0.957 . . . . 0.0 112.069 -178.819 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.93 -38.47 4.7 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.727 0.811 . . . . 0.0 113.079 165.933 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.39 -48.59 40.31 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.753 -0.592 . . . . 0.0 110.763 177.394 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.81 -42.46 17.14 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 119.996 -1.69 . . . . 0.0 111.784 169.414 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 79' ' ' TYR . . . . . 0.564 ' CE1' HD12 ' A' ' 124' ' ' LEU . 45.9 m-85 -59.45 -58.01 10.47 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 171.524 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.17 -24.99 29.92 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -169.722 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -43.77 -42.9 5.78 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.268 1.509 . . . . 0.0 110.478 152.241 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -87.08 2.99 47.97 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 178.555 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.323 0.0 OUTLIER 52.67 41.99 31.51 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 129.485 3.114 . . . . 0.0 115.247 -168.449 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.17 104.63 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 O-C-N 120.594 -1.317 . . . . 0.0 111.673 175.127 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.79 104.36 1.65 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 169.342 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 35.7 mm -69.98 117.57 55.22 Favored Pre-proline 0 CA--C 1.54 0.596 0 O-C-N 120.839 -1.163 . . . . 0.0 109.943 168.003 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -64.6 126.08 16.12 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 N-CA-C 109.386 -1.044 . . . . 0.0 109.386 173.797 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 58.6 p -41.88 -32.87 0.46 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.586 1.954 . . . . 0.0 114.397 -178.352 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.24 -44.55 53.54 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.477 1.111 . . . . 0.0 113.101 174.333 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 20.8 mm -49.9 -51.2 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 O-C-N 120.997 -1.065 . . . . 0.0 111.407 168.316 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.02 -42.78 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.036 0.934 . . . . 0.0 110.278 -171.135 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.06 -40.5 58.45 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.219 2.208 . . . . 0.0 112.589 175.207 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.45 -75.03 0.16 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.787 1.235 . . . . 0.0 109.85 167.422 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.5 -61.41 0.81 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.585 1.954 . . . . 0.0 113.682 -165.327 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 69.6 t -42.02 -69.34 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.508 1.123 . . . . 0.0 112.378 -178.515 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -14.33 58.81 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -177.508 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -64.18 -64.3 0.92 Allowed 'General case' 0 C--O 1.235 0.316 0 O-C-N 120.945 -1.097 . . . . 0.0 110.388 176.041 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.59 -169.4 1.74 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.336 -0.853 . . . . 0.0 112.728 -168.83 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 66.94 155.86 0.1 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.645 1.578 . . . . 0.0 114.229 165.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -167.32 52.68 0.07 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.443 1.097 . . . . 0.0 110.072 171.239 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.4 t -160.89 125.61 3.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.395 1.078 . . . . 0.0 110.261 -177.489 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 102' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.9 mp0 -47.88 -56.43 7.55 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.887 2.475 . . . . 0.0 113.918 -164.876 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -63.62 -41.32 98.3 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.244 -0.91 . . . . 0.0 111.394 178.623 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -69.4 -36.43 76.74 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.173 -1.579 . . . . 0.0 109.972 -175.147 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.88 -39.07 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 117.554 -1.212 . . . . 0.0 111.919 166.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.273 0.6 OUTLIER -64.18 -40.16 95.51 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 121.824 2.102 . . . . 0.0 111.842 178.115 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -54.5 -56.96 13.5 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.174 0.989 . . . . 0.0 110.832 171.73 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.06 -54.53 43.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.982 0.913 . . . . 0.0 112.652 179.001 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 83.1 mt -54.87 -52.75 39.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 C-N-CA 124.372 1.069 . . . . 0.0 111.082 177.113 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.51 -36.76 67.06 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.658 -1.276 . . . . 0.0 112.122 176.863 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 29.2 m -62.76 -59.52 4.77 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.594 -0.691 . . . . 0.0 112.374 171.609 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.33 -40.83 78.79 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.661 -1.275 . . . . 0.0 112.516 178.1 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -59.02 -30.25 67.86 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.801 2.041 . . . . 0.0 111.555 170.317 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.293 93.8 m -78.91 -37.35 40.15 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 119.421 -2.05 . . . . 0.0 114.073 171.359 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -48.36 -62.16 1.63 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.248 0.931 . . . . 0.0 110.594 158.445 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -53.01 -44.48 67.32 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -52.64 -48.18 66.59 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.8 -1.187 . . . . 0.0 112.953 174.316 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.68 -45.77 50.48 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.834 0.826 . . . . 0.0 112.522 178.496 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -52.55 -46.4 66.79 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.047 -1.658 . . . . 0.0 111.9 173.877 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -74.36 6.94 3.19 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.655 1.582 . . . . 0.0 113.69 174.145 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -84.07 -33.68 24.36 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.191 1.396 . . . . 0.0 111.534 165.786 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -59.63 140.17 56.61 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.677 0.671 . . . . 0.0 111.994 172.725 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -121.28 125.84 48.05 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.58 1.952 . . . . 0.0 112.505 -165.51 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -72.31 104.17 3.63 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.067 -1.021 . . . . 0.0 110.474 174.749 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -78.97 -17.34 55.59 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.968 -1.082 . . . . 0.0 113.033 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 150.378 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.316 8.1 mp . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 122.869 1.319 . . . . 0.0 111.621 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 t -81.83 -177.22 6.48 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.803 2.041 . . . . 0.0 112.376 166.61 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.59 -65.2 0.61 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -171.543 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -57.68 -52.36 65.74 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -177.615 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.02 -44.1 94.82 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.983 -1.073 . . . . 0.0 112.041 179.054 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.68 -43.97 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 120.746 -1.221 . . . . 0.0 112.168 172.757 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.28 -45.94 91.56 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.853 0.835 . . . . 0.0 110.902 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.56 HG12 ' CE2' ' A' ' 79' ' ' TYR . 14.5 t -74.29 -31.82 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 O-C-N 120.924 -1.11 . . . . 0.0 111.911 -179.494 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -37.6 29.5 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.825 -1.172 . . . . 0.0 113.007 165.555 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.5 -52.04 43.92 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.881 -0.512 . . . . 0.0 109.887 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.6 mt -55.5 -31.72 62.27 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.106 -0.996 . . . . 0.0 112.291 177.122 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.638 ' CE1' HD12 ' B' ' 124' ' ' LEU . 37.6 m-85 -62.07 -64.88 0.79 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.464 -1.397 . . . . 0.0 113.131 167.428 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -69.01 -37.05 78.44 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 120.049 1.295 . . . . 0.0 112.069 -171.49 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -63.48 -20.08 65.28 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.25 -1.531 . . . . 0.0 113.242 167.205 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -87.87 -1.88 58.26 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 119.79 -1.819 . . . . 0.0 112.793 167.653 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 58.37 46.85 14.72 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.729 2.412 . . . . 0.0 112.516 -167.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.9 mt -109.73 106.29 20.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 125.191 1.396 . . . . 0.0 109.829 167.262 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 133.94 50.5 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.001 -0.679 . . . . 0.0 109.651 165.121 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.6 mm -98.29 128.52 33.07 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.902 0.881 . . . . 0.0 109.603 170.646 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.04 143.45 25.9 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.952 1.768 . . . . 0.0 109.278 171.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 m -48.77 -36.44 16.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 126.059 1.743 . . . . 0.0 112.066 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.98 -37.22 52.3 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.449 1.899 . . . . 0.0 114.169 175.559 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.3 mm -60.14 -51.04 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 119.646 -1.909 . . . . 0.0 109.671 168.597 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 63.0 mt -70.84 -27.16 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.824 0.85 . . . . 0.0 111.501 -172.611 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -47.87 -66.31 0.42 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.855 2.062 . . . . 0.0 110.272 167.531 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.55 -63.77 1.05 Allowed 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.812 1.645 . . . . 0.0 110.869 178.134 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -53.2 20.76 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -164.274 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.06 -45.89 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.205 1.002 . . . . 0.0 113.431 172.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -23.02 67.23 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.098 -1.001 . . . . 0.0 112.857 178.894 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -84.64 -50.01 8.04 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.938 0.895 . . . . 0.0 111.685 168.646 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . 0.26 8.9 ptp85 41.37 73.51 0.13 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 128.296 2.638 . . . . 0.0 114.721 -172.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.6 165.07 10.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.565 1.146 . . . . 0.0 112.186 178.036 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -77.53 -62.65 1.59 Allowed 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.682 -1.261 . . . . 0.0 110.711 -164.788 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.4 t -91.61 151.05 20.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 122.756 1.265 . . . . 0.0 113.987 -175.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -34.67 -45.94 0.27 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.717 2.407 . . . . 0.0 112.35 155.809 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -58.02 -48.68 79.32 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.858 -1.152 . . . . 0.0 112.185 174.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -65.73 -50.16 65.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.053 -0.404 . . . . 0.0 110.648 -177.278 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.4 m -64.07 -37.04 78.8 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.375 178.662 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.259 0.9 OUTLIER -67.49 -43.13 81.66 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 120.65 1.568 . . . . 0.0 111.782 178.065 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.251 11.4 p30 -69.74 -40.82 75.94 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.795 1.179 . . . . 0.0 112.051 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -58.12 -57.3 13.44 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.837 0.855 . . . . 0.0 112.059 172.66 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 81.2 mt -52.82 -50.22 43.81 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 121.189 -0.944 . . . . 0.0 111.06 176.491 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.07 -38.26 70.43 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.953 -1.092 . . . . 0.0 112.446 175.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.4 m -62.87 -57.28 11.39 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.491 -0.756 . . . . 0.0 112.492 171.569 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -60.83 -28.87 69.13 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.566 -1.333 . . . . 0.0 112.825 177.336 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -74.94 -20.86 59.5 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.587 1.955 . . . . 0.0 111.643 171.532 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.261 95.7 m -76.92 -43.72 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 119.905 -1.747 . . . . 0.0 112.745 164.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -45.46 -63.14 1.02 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.174 0.897 . . . . 0.0 110.449 159.307 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -55.13 -42.12 72.62 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -31.3 72.44 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 120.218 -1.551 . . . . 0.0 114.105 175.737 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.61 -47.39 22.49 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 122.551 1.167 . . . . 0.0 111.332 173.663 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -54.2 -51.65 63.74 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.552 1.541 . . . . 0.0 111.571 176.307 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -68.75 0.17 4.62 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.532 -1.355 . . . . 0.0 114.059 174.03 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.52 -31.75 24.27 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.363 1.465 . . . . 0.0 112.012 167.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -60.47 146.19 45.6 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.166 0.894 . . . . 0.0 112.145 172.111 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -124.59 131.18 53.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.798 2.039 . . . . 0.0 111.635 -165.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.0 tp -86.36 105.9 17.03 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.017 -1.052 . . . . 0.0 110.319 174.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -67.7 4.63 1.04 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.35 -1.469 . . . . 0.0 114.108 177.795 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 126.267 1.827 . . . . 0.0 112.943 178.978 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 68' ' ' LEU . . . . . 0.474 ' CD1' HG23 ' B' ' 91' ' ' ILE . 6.9 mp . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -124.89 178.11 5.67 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.212 2.605 . . . . 0.0 110.702 171.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.58 -65.07 0.16 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -167.163 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.8 p -65.04 -56.26 14.1 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -172.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 pm0 -62.89 -33.87 76.2 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.441 1.473 . . . . 0.0 112.262 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.77 -50.96 77.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 O-C-N 120.804 -1.185 . . . . 0.0 111.514 173.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.66 -38.45 69.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.968 1.366 . . . . 0.0 111.483 175.541 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 t -73.6 -33.15 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.794 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -30.66 65.2 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.135 -0.978 . . . . 0.0 112.988 169.004 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.5 -53.71 8.21 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.256 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.9 mt -49.92 -40.16 42.41 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.295 -0.878 . . . . 0.0 111.601 170.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -55.84 -54.95 38.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 120.801 -1.187 . . . . 0.0 113.264 171.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.265 23.4 mm-40 -73.78 -21.77 60.06 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.89 1.677 . . . . 0.0 113.361 -178.568 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -55.27 -40.12 70.62 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.111 -1.618 . . . . 0.0 111.693 157.52 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 23.7 p -82.1 6.76 15.34 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 171.179 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 50.36 53.2 13.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.816 2.046 . . . . 0.0 112.804 -169.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 84' ' ' ILE . . . . . 0.645 HG23 ' CZ ' ' B' ' 113' ' ' ARG . 36.1 mt -114.69 102.6 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 178.427 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -66.77 123.52 20.36 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 120.96 -1.088 . . . . 0.0 108.623 160.367 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 36.1 mm -88.52 129.06 50.56 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 124.404 1.082 . . . . 0.0 109.865 171.653 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -51.74 138.19 50.36 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.219 1.946 . . . . 0.0 112.587 172.144 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.5 t -50.34 -44.86 54.58 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.893 0.877 . . . . 0.0 111.581 176.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.88 -43.34 49.25 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.709 1.204 . . . . 0.0 113.738 173.52 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.9 mm -56.34 -56.63 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 120.949 -1.094 . . . . 0.0 110.264 172.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 91' ' ' ILE . . . . . 0.474 HG23 ' CD1' ' B' ' 68' ' ' LEU . 60.1 mt -54.25 -44.69 66.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.735 0.814 . . . . 0.0 110.804 -176.495 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -57.35 -59.84 4.53 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.973 174.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.11 -51.74 60.9 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.137 -0.977 . . . . 0.0 110.842 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.64 -49.26 57.36 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.472 0.709 . . . . 0.0 112.867 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.36 -30.85 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 124.073 0.949 . . . . 0.0 112.752 175.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.25 -55.4 10.65 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.847 -1.158 . . . . 0.0 112.27 168.662 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -65.35 -37.29 86.59 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -174.751 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 54.79 75.52 0.3 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.154 1.381 . . . . 0.0 114.181 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.07 154.54 29.34 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.434 -0.791 . . . . 0.0 109.696 161.554 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.66 -56.49 2.77 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -164.18 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 6.7 p -87.9 157.81 18.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.107 1.321 . . . . 0.0 113.928 178.506 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -44.09 -49.92 8.7 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.806 2.042 . . . . 0.0 111.7 174.427 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.55 -45.31 73.44 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.438 1.095 . . . . 0.0 111.984 -178.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -67.27 -48.72 66.87 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.703 0.401 . . . . 0.0 110.937 -176.186 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.78 -43.6 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.171 178.435 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.306 3.9 pp -65.4 -30.15 70.93 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.501 -1.374 . . . . 0.0 113.38 177.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.4 -60.06 3.86 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.692 -1.255 . . . . 0.0 111.804 171.634 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.93 -44.27 86.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.628 0.371 . . . . 0.0 111.205 -179.087 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 92.3 mt -58.6 -53.85 41.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.319 -0.863 . . . . 0.0 113.009 173.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.81 -39.03 65.17 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 121.229 1.831 . . . . 0.0 112.095 175.806 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 22.5 m -62.39 -62.58 1.65 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.004 0.922 . . . . 0.0 112.529 175.056 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -55.9 -35.75 66.91 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.664 1.186 . . . . 0.0 112.108 177.358 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 113' ' ' ARG . . . . . 0.645 ' CZ ' HG23 ' B' ' 84' ' ' ILE . 23.3 ttt-85 -65.37 -30.43 71.26 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 119.622 -1.924 . . . . 0.0 111.754 173.335 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.268 54.5 m -73.18 -36.73 66.64 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.694 -1.254 . . . . 0.0 114.111 168.522 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.48 -62.05 1.76 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.442 1.019 . . . . 0.0 110.565 159.373 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -50.33 -47.17 55.9 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -48.48 -55.05 12.0 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.853 -1.155 . . . . 0.0 113.073 171.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.3 -40.97 98.84 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.212 -0.93 . . . . 0.0 112.094 177.75 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -59.04 -35.54 73.49 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.566 -1.334 . . . . 0.0 112.213 175.115 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -72.81 -11.41 60.59 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 120.038 -1.664 . . . . 0.0 113.188 171.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -94.39 -43.37 8.41 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.069 1.747 . . . . 0.0 112.398 -174.401 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -43.74 145.6 0.65 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -176.277 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 134.14 56.75 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.019 1.728 . . . . 0.0 114.928 174.499 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -107.05 124.49 49.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.685 1.194 . . . . 0.0 109.243 154.585 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.31 26.85 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -179.857 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 126.809 2.044 . . . . 0.0 114.122 -173.17 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.7 ttm 48.66 49.23 18.97 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.15 1.38 . . . . 0.0 112.408 -175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.35 148.01 7.25 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.702 2.001 . . . . 0.0 115.703 -170.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -72.02 66.68 0.6 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.379 1.472 . . . . 0.0 112.649 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 t -72.12 58.61 0.37 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.427 1.091 . . . . 0.0 112.469 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.39 127.93 41.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 O-C-N 120.576 -1.327 . . . . 0.0 111.566 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 46.53 47.13 14.45 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 166.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.64 111.25 2.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.836 0.854 . . . . 0.0 111.14 173.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 t -61.38 162.37 7.97 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.549 -0.719 . . . . 0.0 110.762 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.81 80.93 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.725 -1.234 . . . . 0.0 113.147 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.5 p -65.95 -49.03 69.33 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.935 -1.103 . . . . 0.0 112.686 171.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -55.62 -55.12 35.83 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.335 -0.853 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.85 -41.41 79.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.888 1.275 . . . . 0.0 111.648 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.81 75.83 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 122.074 0.94 . . . . 0.0 111.572 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.551 HG12 ' CE2' ' A' ' 79' ' ' TYR . 19.1 t -74.22 -38.93 48.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 O-C-N 120.654 -1.279 . . . . 0.0 111.577 -176.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.37 -41.27 2.8 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.654 1.582 . . . . 0.0 113.175 165.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.96 -54.13 24.94 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.0 mt -48.96 -41.52 34.36 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.713 -0.617 . . . . 0.0 112.513 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' HG12 ' A' ' 75' ' ' VAL . 54.6 m-85 -57.28 -65.18 0.67 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.921 1.237 . . . . 0.0 112.93 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.28 -41.19 98.98 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.425 0.557 . . . . 0.0 110.05 -171.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -61.03 -37.19 81.73 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.418 -1.426 . . . . 0.0 113.271 168.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.6 m -65.25 -8.47 17.87 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 119.58 -1.95 . . . . 0.0 113.471 168.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 73.66 23.94 2.29 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 129.162 2.985 . . . . 0.0 112.835 -172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mp -93.54 100.75 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.43 131.95 46.18 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.229 171.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.5 mm -92.16 129.7 40.56 Favored Pre-proline 0 CA--C 1.548 0.88 0 O-C-N 121.821 -0.549 . . . . 0.0 111.268 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -58.63 124.23 15.32 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.328 2.019 . . . . 0.0 110.423 165.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.2 p -49.82 -37.79 31.96 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.09 -54.21 3.67 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.509 1.123 . . . . 0.0 113.665 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 pt -73.95 -20.75 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 120.428 -1.42 . . . . 0.0 113.67 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.61 -45.95 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.89 1.223 . . . . 0.0 109.44 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.85 -49.0 59.92 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.986 1.714 . . . . 0.0 111.564 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.41 -61.69 2.41 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.304 1.042 . . . . 0.0 110.733 171.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.17 -50.43 58.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.553 0.741 . . . . 0.0 112.233 -171.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.07 -38.37 29.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.026 1.33 . . . . 0.0 112.689 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -46.06 68.52 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.569 1.148 . . . . 0.0 112.33 173.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -58.64 -41.84 86.93 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.268 0.556 . . . . 0.0 112.032 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 58.18 69.39 0.74 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.468 1.507 . . . . 0.0 114.314 170.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.6 mt -78.54 175.58 10.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.412 1.085 . . . . 0.0 112.447 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -94.1 -49.85 5.57 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.792 1.237 . . . . 0.0 112.058 -173.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.5 t -124.14 152.39 42.86 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -164.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -40.71 -48.35 2.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 129.276 3.03 . . . . 0.0 112.021 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -63.42 -42.84 98.74 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.518 -0.739 . . . . 0.0 112.755 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -64.72 -46.49 82.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.314 -0.866 . . . . 0.0 111.008 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.68 -44.84 93.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 O-C-N 121.909 -0.495 . . . . 0.0 110.277 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.519 ' HB3' HG11 ' A' ' 75' ' ' VAL . 2.8 pp -64.67 -31.6 72.89 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 120.783 -1.198 . . . . 0.0 112.46 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.39 -61.25 2.22 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.69 1.132 . . . . 0.0 110.476 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -50.31 -58.81 4.82 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.842 1.257 . . . . 0.0 111.273 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.405 HD13 ' CE2' ' A' ' 79' ' ' TYR . 77.5 mt -51.49 -49.09 34.02 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 O-C-N 121.637 -0.664 . . . . 0.0 111.438 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.34 -42.92 99.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 120.635 1.561 . . . . 0.0 113.012 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.1 p -59.61 -51.76 68.45 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.43 -0.794 . . . . 0.0 111.572 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.34 -32.92 73.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 123.16 1.457 . . . . 0.0 112.374 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -70.4 -19.36 63.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.433 -2.042 . . . . 0.0 112.361 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.7 m -90.07 -37.49 14.23 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.094 -1.629 . . . . 0.0 113.077 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -44.86 -54.47 6.38 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.144 0.884 . . . . 0.0 110.149 154.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.432 ' HA ' ' CE3' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -53.64 -50.25 66.14 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 178.33 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -49.45 -48.26 47.66 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.976 -1.078 . . . . 0.0 113.015 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.3 mt -58.62 -55.08 39.67 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.16 0.891 . . . . 0.0 112.603 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -64.02 -17.23 63.14 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.231 -1.543 . . . . 0.0 113.942 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -84.39 -18.17 36.96 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 119.77 -1.831 . . . . 0.0 112.757 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -99.1 -50.06 4.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.095 2.158 . . . . 0.0 112.799 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -49.14 146.91 3.25 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -167.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -42.66 109.71 0.15 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 129.179 2.992 . . . . 0.0 114.85 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 18.5 tp -103.29 118.74 37.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.814 1.188 . . . . 0.0 109.554 142.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.74 28.93 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? 65.0 -60.26 0.24 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.746 2.018 . . . . 0.0 114.116 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.68 -80.69 0.66 Allowed Glycine 0 CA--C 1.534 1.225 0 O-C-N 121.404 -0.81 . . . . 0.0 112.384 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 91.6 p -79.44 49.59 1.02 Allowed 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.364 -1.08 . . . . 0.0 112.601 -176.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -70.61 149.84 46.65 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -174.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 87.4 mttt . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 125.914 1.686 . . . . 0.0 111.071 179.034 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 . . . . . 0 CA--C 1.547 0.845 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 51.5 ttp -74.65 68.18 1.63 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.026 0.93 . . . . 0.0 110.914 173.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -127.62 166.02 18.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.328 1.851 . . . . 0.0 110.44 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.88 44.48 0.06 Allowed 'General case' 0 CA--C 1.55 0.969 0 O-C-N 121.191 -0.943 . . . . 0.0 113.339 164.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 16.4 m -158.19 69.7 0.52 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.783 2.433 . . . . 0.0 107.375 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 45.6 t -85.67 -66.53 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 124.64 1.176 . . . . 0.0 110.66 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -161.93 73.36 0.41 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.482 1.513 . . . . 0.0 110.384 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.448 ' H ' HG21 ' B' ' 95' ' ' VAL 0.291 6.8 mp 70.87 68.22 0.18 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 123.608 1.67 . . . . 0.0 111.351 -171.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.94 173.47 7.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 128.32 2.648 . . . . 0.0 111.155 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.52 -66.01 0.14 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.0 p -59.5 -58.37 8.89 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -63.01 -33.5 75.56 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.543 -1.348 . . . . 0.0 112.504 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.59 -49.95 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 121.214 -0.929 . . . . 0.0 111.323 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.12 69.64 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 122.324 1.059 . . . . 0.0 111.224 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.75 -37.03 54.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.624 -0.672 . . . . 0.0 112.66 176.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.57 -36.17 77.85 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 167.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.58 -51.14 53.93 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 53.9 mt -47.42 -50.85 21.72 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.0 -1.063 . . . . 0.0 112.27 170.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -47.14 -54.37 10.75 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.826 1.194 . . . . 0.0 112.783 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.251 6.8 mm-40 -83.73 -27.11 29.18 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -171.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -48.27 -46.43 35.82 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.286 -1.509 . . . . 0.0 109.636 154.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.77 -12.51 60.42 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.401 0.1 OUTLIER 63.87 51.41 2.36 Favored 'General case' 0 CA--C 1.546 0.81 1 C-N-CA 132.294 4.237 . . . . 0.0 116.066 -169.717 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.11 105.83 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.168 1.387 . . . . 0.0 111.331 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.49 130.03 40.8 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.076 -1.015 . . . . 0.0 110.372 171.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 31.8 mm -93.94 132.62 29.21 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 120.912 -1.118 . . . . 0.0 111.583 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -62.76 131.11 31.84 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.674 2.249 . . . . 0.0 110.936 166.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 34.6 p -41.0 -48.29 3.18 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.344 1.058 . . . . 0.0 111.686 167.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.07 -48.03 1.61 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 173.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 22.2 mm -51.98 -53.42 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 121.484 -0.76 . . . . 0.0 110.581 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -68.95 -46.04 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.201 1.0 . . . . 0.0 110.555 -172.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.26 -26.97 31.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 128.317 2.647 . . . . 0.0 113.975 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -84.58 -74.92 0.37 Allowed 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.553 1.141 . . . . 0.0 110.336 163.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.454 HD23 ' CD1' ' B' ' 108' ' ' TYR . 0.8 OUTLIER -40.74 -55.78 2.33 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 127.484 2.314 . . . . 0.0 113.469 -169.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.448 HG21 ' H ' ' B' ' 68' ' ' LEU . 0.3 OUTLIER -61.54 -17.08 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -172.232 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -77.46 -52.51 8.98 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.029 -1.044 . . . . 0.0 112.151 168.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -59.88 -28.49 67.59 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.352 1.061 . . . . 0.0 113.282 -168.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER 57.33 107.54 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.727 2.011 . . . . 0.0 115.539 177.228 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 72.6 mt -107.52 171.75 7.21 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.745 -1.222 . . . . 0.0 112.108 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -74.22 -39.37 63.14 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -158.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 9.4 t -171.22 -178.83 2.5 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.9 1.28 . . . . 0.0 109.603 -165.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -65.02 -51.44 61.55 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.216 1.406 . . . . 0.0 112.025 -159.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -58.42 -34.09 70.4 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.029 -1.044 . . . . 0.0 111.922 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -72.87 -40.22 65.8 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.716 1.206 . . . . 0.0 110.79 -173.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.49 -47.01 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.538 166.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.259 1.2 pp -63.69 -34.31 77.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.38 1.445 . . . . 0.0 112.422 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.9 -57.96 9.03 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.92 0.888 . . . . 0.0 110.459 170.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' TYR . . . . . 0.454 ' CD1' HD23 ' B' ' 94' ' ' LEU . 52.7 t80 -58.2 -54.1 50.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.085 0.554 . . . . 0.0 112.311 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 93.5 mt -51.47 -54.14 13.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 123.558 0.743 . . . . 0.0 111.213 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -55.25 -36.66 66.29 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.075 -1.015 . . . . 0.0 112.6 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 39.3 m -63.28 -59.84 4.19 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.577 -0.702 . . . . 0.0 112.415 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.39 -34.76 72.83 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-O 122.644 1.212 . . . . 0.0 112.258 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -63.17 -36.55 84.0 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.309 1.844 . . . . 0.0 111.468 170.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 58.4 m -69.38 -41.85 75.95 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 120.975 -1.078 . . . . 0.0 113.35 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -48.07 -55.9 9.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.563 0.62 . . . . 0.0 110.717 160.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -54.65 -42.04 70.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.281 15.4 pttm -62.11 -51.68 66.94 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.326 1.875 . . . . 0.0 113.605 171.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.69 -31.06 71.85 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.947 1.248 . . . . 0.0 112.412 -175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -62.7 -53.97 46.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.321 1.448 . . . . 0.0 111.488 168.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.2 -3.85 22.42 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 120.249 -1.532 . . . . 0.0 114.732 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.31 -40.01 58.92 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.312 2.245 . . . . 0.0 113.039 162.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -56.35 152.62 10.95 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -168.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 103.69 14.04 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 -172.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 79' ' ' TYR . 15.5 tp -87.25 112.9 22.49 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.288 -1.508 . . . . 0.0 108.829 154.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -70.67 29.85 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.99 1.716 . . . . 0.0 114.843 -175.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.73 -64.67 0.27 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.814 1.646 . . . . 0.0 114.33 177.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.84 -66.31 0.84 Allowed Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.222 0.915 . . . . 0.0 114.398 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 49.7 m -75.4 64.92 1.61 Allowed 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.393 -1.063 . . . . 0.0 113.769 -171.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.47 61.32 0.92 Allowed 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.073 -1.017 . . . . 0.0 110.945 172.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 CA--C 1.537 0.461 0 C-N-CA 125.011 1.324 . . . . 0.0 112.176 -175.743 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 120.534 0.207 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.4 ttm -41.96 120.23 1.51 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.603 1.161 . . . . 0.0 113.079 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -79.77 50.25 1.14 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.362 1.865 . . . . 0.0 113.11 -172.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -144.96 134.69 23.47 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.343 1.457 . . . . 0.0 110.637 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 m -72.42 61.18 0.48 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.06 1.344 . . . . 0.0 113.031 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.9 t -74.02 95.08 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 O-C-N 120.716 -1.24 . . . . 0.0 110.554 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.3 103.54 0.08 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.175 1.39 . . . . 0.0 112.408 172.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.8 mp 61.91 68.46 0.69 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 123.156 1.455 . . . . 0.0 111.256 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -71.84 167.93 18.96 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.887 1.275 . . . . 0.0 112.177 166.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.59 -49.25 14.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.808 1.243 . . . . 0.0 113.671 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.41 -66.2 0.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -61.28 -31.24 71.07 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 120.278 -1.514 . . . . 0.0 112.287 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.98 -48.63 87.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 119.054 0.843 . . . . 0.0 111.037 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.45 79.86 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 122.074 0.94 . . . . 0.0 111.768 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 79' ' ' TYR . 8.0 t -73.26 -34.92 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 O-C-N 120.721 -1.237 . . . . 0.0 112.16 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.31 -36.8 81.09 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.938 1.695 . . . . 0.0 113.706 172.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.15 -56.58 17.4 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.78 -33.39 70.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.542 ' CE2' HG12 ' A' ' 75' ' ' VAL . 13.6 m-85 -56.29 -53.64 54.9 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 120.957 -1.089 . . . . 0.0 111.249 170.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -72.44 -27.84 62.57 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.905 1.229 . . . . 0.0 112.94 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -56.65 -38.35 72.03 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.08 -1.638 . . . . 0.0 111.915 161.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.0 p -81.23 5.43 17.08 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.956 -1.09 . . . . 0.0 113.868 170.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 47.38 54.25 9.82 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.788 2.035 . . . . 0.0 112.498 -171.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.554 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 17.8 mt -113.15 109.0 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 125.986 1.714 . . . . 0.0 111.949 175.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -68.45 125.77 27.51 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.092 -1.005 . . . . 0.0 108.522 161.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.6 mm -84.68 127.16 66.49 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 120.811 -1.181 . . . . 0.0 109.111 166.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -52.28 134.05 49.74 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 121.206 1.271 . . . . 0.0 111.314 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.5 m -44.69 -44.36 9.06 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 124.871 1.268 . . . . 0.0 110.219 165.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.26 12.24 0.09 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.33 1.852 . . . . 0.0 115.463 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.9 mm -101.52 -54.27 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.214 -1.553 . . . . 0.0 108.432 157.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.29 -40.74 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 125.443 1.497 . . . . 0.0 110.518 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -30.07 -68.58 0.07 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.006 2.123 . . . . 0.0 112.845 164.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.76 -51.21 17.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.735 1.214 . . . . 0.0 112.134 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.37 -49.78 12.77 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.91 1.284 . . . . 0.0 112.641 -170.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.7 t -53.52 -39.41 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.978 0.911 . . . . 0.0 113.21 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -77.8 -48.81 15.65 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.537 1.135 . . . . 0.0 112.488 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -56.52 -31.81 64.48 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.506 0.669 . . . . 0.0 111.284 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? 60.58 52.01 4.78 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.741 1.216 . . . . 0.0 112.465 157.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.48 165.92 17.97 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.387 -0.821 . . . . 0.0 111.018 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -101.55 -47.51 4.63 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -162.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.1 p -108.96 164.6 12.26 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.659 1.183 . . . . 0.0 113.273 -175.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -49.44 -41.14 39.18 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 170.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -61.03 -43.29 99.1 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 121.402 -0.811 . . . . 0.0 112.41 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -68.22 -51.95 39.68 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.751 0.31 . . . . 0.0 110.93 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.527 HG23 HG21 ' A' ' 75' ' ' VAL . 14.1 m -64.9 -39.51 85.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.284 -177.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.18 -44.39 92.18 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 120.196 1.362 . . . . 0.0 111.731 177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -71.57 -43.53 66.17 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 118.04 -1.464 . . . . 0.0 111.923 -176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -61.34 -51.12 70.16 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.832 -0.543 . . . . 0.0 111.517 174.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 80.2 mt -53.82 -54.39 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 O-C-N 121.255 -0.903 . . . . 0.0 112.003 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' B' ' 123' ' ' LYS . 38.1 mt-10 -59.5 -38.67 81.51 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.165 -1.585 . . . . 0.0 112.687 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.5 m -58.03 -58.03 10.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.287 -0.883 . . . . 0.0 112.148 171.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -54.98 -39.57 69.13 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.167 -0.958 . . . . 0.0 112.185 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.554 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 23.2 ttt-85 -61.95 -27.83 69.11 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 119.984 -1.697 . . . . 0.0 111.499 175.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.265 89.0 m -78.57 -34.96 46.56 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 167.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -59.36 3.95 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.318 1.417 . . . . 0.0 110.041 159.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -52.69 -47.45 67.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -45.06 -48.56 11.8 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.74 -1.225 . . . . 0.0 112.808 169.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.95 -42.85 84.51 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.206 -0.934 . . . . 0.0 112.874 174.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.48 -15.26 62.47 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.042 -1.662 . . . . 0.0 113.489 171.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -84.93 -2.94 58.47 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 119.516 -1.99 . . . . 0.0 113.198 167.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -116.94 -45.53 2.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.482 1.913 . . . . 0.0 112.301 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -52.11 148.86 5.75 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -42.44 100.1 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.198 2.999 . . . . 0.0 114.908 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.656 HD12 ' CD1' ' B' ' 79' ' ' TYR . 4.4 tt -80.56 116.68 20.72 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.813 1.642 . . . . 0.0 107.182 141.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.437 ' N ' HD23 ' A' ' 124' ' ' LEU . 0.1 OUTLIER -72.2 36.54 0.07 Allowed 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.117 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 54.85 -71.31 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.011 2.125 . . . . 0.0 113.649 -168.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.29 -69.76 0.15 Allowed Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.401 1.001 . . . . 0.0 111.532 -173.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 61.9 m -54.49 89.26 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.445 1.498 . . . . 0.0 111.779 162.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 92.2 mt -122.5 57.43 1.09 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.163 1.785 . . . . 0.0 108.606 165.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 19.7 tttp . . . . . 0 CA--C 1.544 0.741 0 C-N-CA 125.384 1.474 . . . . 0.0 113.583 -167.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -75.15 68.35 1.9 Allowed 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.972 -1.08 . . . . 0.0 112.49 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -157.09 167.13 31.32 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.778 1.631 . . . . 0.0 111.108 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -46.12 133.22 9.28 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.053 2.541 . . . . 0.0 113.774 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 40.3 p -75.65 62.34 1.45 Allowed 'General case' 0 CA--C 1.538 0.49 0 O-C-N 120.871 -1.143 . . . . 0.0 110.729 168.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 77.0 t -130.94 136.89 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 125.372 1.469 . . . . 0.0 110.418 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -64.12 130.49 44.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.795 0.838 . . . . 0.0 112.291 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.506 ' H ' ' CG2' ' B' ' 95' ' ' VAL . 2.8 mp 50.58 66.4 1.17 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 123.194 1.473 . . . . 0.0 111.547 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -78.44 -176.53 4.81 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.409 1.1 . . . . 0.0 112.455 169.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.11 -58.39 7.19 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.839 1.256 . . . . 0.0 114.384 -168.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.8 p -62.5 -50.04 72.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -63.91 -41.56 97.64 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.115 -0.991 . . . . 0.0 111.77 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.4 -45.31 99.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 O-C-N 121.051 -1.031 . . . . 0.0 111.509 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.67 89.5 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 122.174 0.988 . . . . 0.0 110.947 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.05 -35.96 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 O-C-N 121.404 -0.81 . . . . 0.0 111.851 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -48.12 77.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.515 1.126 . . . . 0.0 112.094 172.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.11 -48.32 82.02 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.705 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.88 -29.48 68.35 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.18 -0.95 . . . . 0.0 112.818 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.656 ' CD1' HD12 ' A' ' 124' ' ' LEU . 58.6 m-85 -58.32 -56.5 21.29 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 120.779 1.627 . . . . 0.0 112.277 165.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -73.58 -39.51 64.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.695 1.134 . . . . 0.0 113.235 -173.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -57.89 -24.11 56.2 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.089 -1.632 . . . . 0.0 112.529 164.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.4 m -82.24 -15.77 51.9 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.088 -1.633 . . . . 0.0 115.401 166.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ASN . . . . . 0.442 ' C ' HD12 ' B' ' 84' ' ' ILE . 16.3 t-20 80.53 44.53 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 130.49 3.516 . . . . 0.0 113.363 -173.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.442 HD12 ' C ' ' B' ' 83' ' ' ASN . 2.1 mp -126.76 125.76 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 126.324 1.849 . . . . 0.0 108.603 173.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.49 155.16 23.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.917 1.235 . . . . 0.0 109.78 161.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 8.6 mm -105.7 130.26 23.33 Favored Pre-proline 0 N--CA 1.469 0.513 0 O-C-N 120.72 -1.238 . . . . 0.0 110.344 170.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -56.44 126.99 24.13 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.799 1.666 . . . . 0.0 111.061 171.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 87.6 p -49.66 -35.87 22.86 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.248 0.619 . . . . 0.0 111.189 171.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -52.51 -18.8 1.86 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 pt -106.01 -24.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.367 -1.458 . . . . 0.0 112.442 173.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.4 mt -63.24 -38.21 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 O-C-N 121.049 -1.032 . . . . 0.0 110.268 164.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -35.82 -52.12 0.71 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.398 2.679 . . . . 0.0 112.649 170.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.75 -65.19 1.02 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.874 2.07 . . . . 0.0 111.146 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.545 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.1 tm? -52.02 -43.93 63.92 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.619 1.168 . . . . 0.0 113.48 -166.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' VAL . . . . . 0.506 ' CG2' ' H ' ' B' ' 68' ' ' LEU . 0.5 OUTLIER -65.73 -12.61 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -177.38 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.73 -46.99 10.19 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.207 -0.933 . . . . 0.0 110.982 162.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -49.14 -46.27 44.93 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.147 0.979 . . . . 0.0 112.448 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 50.92 76.19 0.16 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.388 1.075 . . . . 0.0 112.608 169.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.82 164.21 22.87 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.246 1.018 . . . . 0.0 110.197 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -75.21 -62.38 1.58 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.845 -1.159 . . . . 0.0 110.707 -172.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 48.0 t -92.92 151.56 19.87 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -34.87 -46.26 0.3 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.001 2.52 . . . . 0.0 111.51 156.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -60.7 -48.89 79.75 Favored 'General case' 0 C--O 1.223 -0.312 0 O-C-N 121.316 -0.865 . . . . 0.0 111.467 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.37 -48.06 79.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.204 -0.935 . . . . 0.0 111.139 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 25.9 m -66.46 -38.84 82.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.823 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.82 -39.27 87.64 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.903 1.683 . . . . 0.0 111.534 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.0 -54.63 44.71 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.3 0.954 . . . . 0.0 110.349 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' TYR . . . . . 0.545 ' CD2' HD23 ' B' ' 94' ' ' LEU . 45.7 t80 -60.14 -55.45 33.72 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.262 1.025 . . . . 0.0 112.059 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.2 mt -54.31 -47.61 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.779 0.832 . . . . 0.0 111.744 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.81 -36.83 75.12 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 120.311 -1.493 . . . . 0.0 112.117 174.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 39.5 m -63.83 -55.27 24.14 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.007 -1.058 . . . . 0.0 112.606 172.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -51.87 -45.24 64.03 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 123.31 1.529 . . . . 0.0 112.124 171.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -62.26 -21.34 65.12 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 119.627 -1.921 . . . . 0.0 111.659 173.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.272 63.4 m -80.8 -38.46 28.41 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 119.343 -2.098 . . . . 0.0 114.101 165.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.9 -57.44 4.35 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.784 1.174 . . . . 0.0 110.556 158.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -57.53 -39.12 75.89 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -55.68 -50.21 70.87 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.44 -1.412 . . . . 0.0 112.595 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.68 -49.64 75.69 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.251 0.932 . . . . 0.0 111.503 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -51.83 -55.59 19.07 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.777 -1.202 . . . . 0.0 112.155 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -70.49 -4.22 21.75 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.69 -1.256 . . . . 0.0 113.782 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -84.78 -26.49 27.51 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.725 1.61 . . . . 0.0 112.887 163.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.74 140.47 58.74 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.343 1.429 . . . . 0.0 111.32 168.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 110' ' ' GLU . 8.7 tmtm? -116.56 128.7 55.66 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.08 1.752 . . . . 0.0 111.235 -175.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 79' ' ' TYR . 21.9 tp -77.29 93.01 3.94 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.716 -1.24 . . . . 0.0 110.563 175.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -67.64 -10.65 54.06 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.568 -1.333 . . . . 0.0 113.948 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 70.42 -60.77 0.48 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.669 1.988 . . . . 0.0 115.796 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.62 -68.44 0.41 Allowed Glycine 0 CA--C 1.538 1.49 0 O-C-N 121.019 -1.051 . . . . 0.0 111.177 -162.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 22.4 t -68.87 76.59 0.31 Allowed 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.994 -1.298 . . . . 0.0 111.465 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 32.5 tp -62.26 143.94 56.22 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.228 -0.92 . . . . 0.0 109.266 159.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 123.964 0.905 . . . . 0.0 110.995 172.654 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -73.83 66.11 1.1 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.845 1.258 . . . . 0.0 111.861 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -54.67 125.9 21.73 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.422 1.489 . . . . 0.0 113.577 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.31 48.67 1.85 Allowed 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 122.802 1.286 . . . . 0.0 109.256 164.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.7 m -153.43 -47.72 0.09 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.079 0.952 . . . . 0.0 112.066 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.4 t -89.3 -9.13 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 125.18 1.392 . . . . 0.0 110.833 170.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -32.37 139.64 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.18 2.592 . . . . 0.0 115.733 170.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.1 mt 55.63 60.34 3.37 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.856 1.312 . . . . 0.0 111.393 -169.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -74.6 168.69 19.29 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.801 1.24 . . . . 0.0 111.56 165.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.46 -54.66 3.77 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.0 p -59.92 -57.45 12.82 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.2 pm0 -63.11 -32.62 74.04 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.523 -1.361 . . . . 0.0 112.324 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.39 -48.6 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 120.853 -1.154 . . . . 0.0 111.747 172.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.87 -37.64 66.51 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 122.245 1.022 . . . . 0.0 111.28 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.26 57.4 t -80.33 -37.21 16.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.75 -45.77 14.72 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.773 -1.205 . . . . 0.0 113.59 161.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -70.41 -45.69 65.42 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.767 -0.583 . . . . 0.0 110.135 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.5 mt -47.78 -38.1 14.96 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.087 -1.633 . . . . 0.0 112.692 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CE1' HD12 ' B' ' 124' ' ' LEU . 37.1 m-85 -59.01 -59.64 5.14 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.676 -1.265 . . . . 0.0 113.657 168.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -84.63 -26.33 27.93 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -168.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -44.15 -49.19 9.12 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 123.014 1.388 . . . . 0.0 109.85 152.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 t -82.63 -0.68 48.23 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.16 38.25 1.96 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.359 2.664 . . . . 0.0 112.455 173.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.4 mt -103.06 113.19 39.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 125.953 1.701 . . . . 0.0 112.588 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -67.14 132.21 47.37 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.146 -0.971 . . . . 0.0 110.154 162.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mm -95.11 123.51 56.96 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 123.909 0.884 . . . . 0.0 109.723 167.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -67.94 104.39 1.0 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 N-CA-C 108.36 -1.439 . . . . 0.0 108.36 168.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -42.99 -22.65 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.148 2.579 . . . . 0.0 117.107 -168.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -43.86 -50.59 7.9 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.53 1.059 . . . . 0.0 112.403 165.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 mm -38.02 -54.71 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.035 1.334 . . . . 0.0 111.674 166.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.4 mt -73.04 -45.7 53.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 124.384 1.074 . . . . 0.0 110.085 -171.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -48.51 -57.49 6.07 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.036 0.935 . . . . 0.0 111.319 173.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -59.25 -56.54 20.86 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.868 0.842 . . . . 0.0 110.686 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.9 OUTLIER -55.69 -47.56 76.56 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.146 -0.972 . . . . 0.0 112.263 -175.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.51 -48.35 58.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.439 1.096 . . . . 0.0 112.031 169.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -56.59 -37.38 70.55 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.001 0.819 . . . . 0.0 113.025 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -79.11 -63.96 1.29 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.3 113.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.789 2.436 . . . . 0.0 114.322 -166.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -92.86 179.23 5.52 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.113 0.965 . . . . 0.0 109.378 158.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -81.72 -46.97 13.52 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.22 -0.925 . . . . 0.0 112.636 -167.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 t -129.5 160.19 33.96 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -170.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -36.39 -51.51 0.81 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.781 2.433 . . . . 0.0 113.338 171.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.95 -39.86 87.0 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.022 -1.048 . . . . 0.0 112.418 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.89 -47.61 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.89 -0.506 . . . . 0.0 110.503 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.1 m -65.72 -36.15 76.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.073 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.1 pp -63.78 -39.99 95.59 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.389 1.449 . . . . 0.0 111.059 173.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -57.81 -54.57 45.36 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.188 0.903 . . . . 0.0 111.647 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.425 ' CD1' HD23 ' A' ' 94' ' ' LEU . 43.1 t80 -56.22 -58.71 6.8 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.304 1.041 . . . . 0.0 112.02 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -50.82 -52.11 18.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 123.843 0.857 . . . . 0.0 110.737 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.71 -40.28 75.37 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 120.672 -1.267 . . . . 0.0 112.46 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 35.1 m -60.58 -55.13 37.07 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.218 -0.926 . . . . 0.0 112.225 171.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.17 -32.89 73.57 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.127 1.371 . . . . 0.0 112.313 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -67.24 -24.42 65.81 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.046 2.538 . . . . 0.0 111.061 169.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.259 88.1 m -83.47 -38.09 22.3 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 119.253 -2.154 . . . . 0.0 113.741 169.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -48.8 -57.08 6.93 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.36 0.982 . . . . 0.0 111.016 160.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -54.66 -41.22 69.88 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -53.65 -47.09 70.67 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.783 -1.823 . . . . 0.0 113.066 167.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -49.03 79.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.126 0.57 . . . . 0.0 110.799 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -54.1 -41.66 68.55 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 120.356 -1.465 . . . . 0.0 112.719 171.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -72.55 -11.77 60.79 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.618 -1.301 . . . . 0.0 113.179 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -48.18 6.51 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.112 1.765 . . . . 0.0 112.286 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -31.56 130.98 0.12 Allowed 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -173.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -46.66 132.68 10.92 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.119 1.768 . . . . 0.0 114.904 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -124.83 123.13 39.29 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.266 1.426 . . . . 0.0 108.907 158.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -74.49 25.6 0.08 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? 64.95 -60.74 0.23 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.473 1.909 . . . . 0.0 114.582 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.04 -70.04 1.02 Allowed Glycine 0 CA--C 1.535 1.306 0 O-C-N 121.259 -0.901 . . . . 0.0 112.455 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.4 t -77.1 74.03 3.68 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.273 -1.134 . . . . 0.0 111.929 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.65 62.36 1.04 Allowed 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.904 -1.122 . . . . 0.0 110.946 171.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.489 0 C-N-CA 125.659 1.584 . . . . 0.0 111.121 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 81.9 t60 . . . . . 0 CA--C 1.541 0.609 0 CA-C-O 121.305 0.574 . . . . 0.0 111.81 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 57.4 mtm -69.58 80.7 0.41 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.811 0.844 . . . . 0.0 109.808 170.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -68.92 156.03 39.24 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -162.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -120.5 73.23 0.99 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.896 1.678 . . . . 0.0 110.139 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t 44.31 -135.88 0.54 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.034 1.334 . . . . 0.0 114.18 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.91 157.72 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 C-N-CA 125.25 1.42 . . . . 0.0 114.115 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -53.13 129.52 31.35 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.869 -1.145 . . . . 0.0 109.073 164.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp 64.35 82.75 0.18 Allowed 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 122.053 0.93 . . . . 0.0 112.962 -172.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.1 t -103.95 -175.96 2.95 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.259 -0.901 . . . . 0.0 112.124 167.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.74 -67.89 0.19 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -163.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 85.8 m -61.22 -52.24 65.62 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.378 -0.827 . . . . 0.0 112.579 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -61.88 -38.8 89.68 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.667 -1.27 . . . . 0.0 112.426 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.0 -47.19 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 O-C-N 120.951 -1.093 . . . . 0.0 111.308 169.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.3 64.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.199 1.0 . . . . 0.0 111.666 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.43 -39.37 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 O-C-N 121.44 -0.787 . . . . 0.0 112.777 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -51.95 -41.1 61.8 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 164.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.08 -48.26 66.03 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 23.0 mt -47.18 -40.33 15.72 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 119.895 -1.753 . . . . 0.0 112.953 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 124' ' ' LEU . 26.7 m-85 -57.28 -62.11 2.0 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.514 -1.366 . . . . 0.0 113.485 169.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -82.07 -29.02 32.07 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.027 1.285 . . . . 0.0 114.176 -168.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -42.85 -55.25 3.77 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 122.926 1.346 . . . . 0.0 109.754 156.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 13.8 t -64.15 -47.7 78.88 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.773 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 124.14 34.87 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 131.643 3.977 . . . . 0.0 113.791 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 94.6 mt -105.49 115.7 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.817 1.647 . . . . 0.0 113.87 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -75.9 133.71 40.46 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.23 -0.919 . . . . 0.0 111.254 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 7.8 mm -103.61 134.52 19.7 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.283 1.433 . . . . 0.0 111.266 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -78.66 98.32 1.19 Allowed 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.274 1.982 . . . . 0.0 110.045 170.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -26.94 -41.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 128.867 2.867 . . . . 0.0 118.093 -174.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -32.18 -55.14 0.32 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.31 1.444 . . . . 0.0 113.851 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 25.2 pt -64.7 -36.01 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 120.988 -1.07 . . . . 0.0 113.152 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 47.4 mt -60.65 -47.22 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 O-C-N 121.288 -0.883 . . . . 0.0 110.238 172.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -57.58 -60.59 3.44 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.947 0.404 . . . . 0.0 111.031 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.15 -44.42 83.4 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.812 -1.18 . . . . 0.0 110.704 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.2 tm? -54.98 -43.79 73.84 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.132 -0.98 . . . . 0.0 112.199 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.2 t -57.24 -47.75 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 O-C-N 120.746 -1.221 . . . . 0.0 113.121 167.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -55.31 -48.69 73.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.263 0.938 . . . . 0.0 112.954 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -68.59 -56.83 6.95 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 120.302 -1.499 . . . . 0.0 111.608 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 69.13 72.63 0.26 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.84 2.856 . . . . 0.0 115.058 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.98 156.7 30.42 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.4 -0.813 . . . . 0.0 111.059 163.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -87.18 -65.89 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 120.971 -1.081 . . . . 0.0 111.925 -158.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 14.9 t -88.25 156.93 18.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.111 0.958 . . . . 0.0 113.492 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 1.9 mp0 -42.82 -46.95 5.42 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.459 1.904 . . . . 0.0 111.694 173.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -61.06 -44.07 97.93 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.329 -0.857 . . . . 0.0 111.868 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -64.8 -49.47 70.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.463 -0.773 . . . . 0.0 110.947 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.0 m -65.66 -40.08 86.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.384 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.291 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.269 1.3 pp -64.34 -39.98 94.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.105 1.32 . . . . 0.0 111.638 174.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.39 -53.77 53.49 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.721 1.146 . . . . 0.0 110.831 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' TYR . . . . . 0.53 ' CD2' HD23 ' B' ' 94' ' ' LEU . 53.2 t80 -59.04 -59.68 5.08 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.835 1.254 . . . . 0.0 112.431 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.4 -51.15 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.026 0.93 . . . . 0.0 110.695 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.51 -40.11 74.47 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.586 -1.321 . . . . 0.0 112.765 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.8 m -61.14 -55.45 32.25 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.447 -0.783 . . . . 0.0 111.941 171.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.33 -44.76 95.19 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.727 -1.233 . . . . 0.0 113.033 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -48.85 -35.95 15.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.397 1.879 . . . . 0.0 111.645 166.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.261 95.8 m -75.46 -35.55 60.85 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.23 -1.544 . . . . 0.0 114.28 171.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -50.27 -60.65 2.77 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.593 1.088 . . . . 0.0 111.02 159.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -52.42 -42.03 63.74 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.627 1.103 . . . . 0.0 112.979 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -52.47 -51.29 60.08 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.211 -0.931 . . . . 0.0 112.045 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.36 -39.1 74.84 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -52.02 -45.56 64.63 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.691 1.596 . . . . 0.0 111.175 170.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -73.3 -5.25 38.33 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.513 -1.367 . . . . 0.0 113.545 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -101.93 -32.99 9.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.749 2.02 . . . . 0.0 112.274 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -38.23 132.63 1.03 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.233 1.413 . . . . 0.0 113.954 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.21 130.37 10.36 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.782 2.033 . . . . 0.0 114.413 173.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -121.8 119.19 30.96 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.126 0.97 . . . . 0.0 108.392 155.737 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -69.94 24.94 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? 63.33 -63.7 0.12 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.655 1.982 . . . . 0.0 113.209 -172.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.64 -73.63 0.16 Allowed Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.528 1.061 . . . . 0.0 111.164 -173.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 41.4 t -73.57 58.95 0.61 Allowed 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.698 -0.883 . . . . 0.0 111.948 168.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.49 62.44 1.88 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 122.426 1.107 . . . . 0.0 108.913 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 63.2 tttt . . . . . 0 CA--C 1.535 0.401 0 O-C-N 120.989 -1.07 . . . . 0.0 112.208 -158.191 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.933 0.396 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 13.4 tpt -116.15 81.81 1.67 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.054 1.342 . . . . 0.0 110.605 166.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.69 55.24 0.66 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 130.61 3.564 . . . . 0.0 111.295 -168.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -78.93 34.64 0.23 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -159.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -73.76 -176.64 2.48 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.048 0.539 . . . . 0.0 111.846 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.267 3.0 p 57.33 -9.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 N-CA-C 118.472 2.768 . . . . 0.0 118.472 167.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -72.89 65.35 0.73 Allowed 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.025 -1.672 . . . . 0.0 114.397 -176.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mp -67.62 87.88 0.22 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.156 1.782 . . . . 0.0 110.324 161.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -86.13 168.65 13.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.401 1.48 . . . . 0.0 111.435 171.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.51 -54.88 1.47 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 99.2 m -59.09 -65.85 0.6 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.715 1.206 . . . . 0.0 113.541 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 pm0 -56.88 -36.59 70.28 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.158 -1.588 . . . . 0.0 112.318 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.2 t -61.33 -42.94 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 O-C-N 121.589 -0.694 . . . . 0.0 111.577 171.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.94 -44.8 94.16 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.182 0.993 . . . . 0.0 111.04 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.496 HG12 ' CE2' ' A' ' 79' ' ' TYR . 15.1 t -70.19 -35.38 62.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.58 -1.325 . . . . 0.0 111.312 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 mt -56.45 -36.07 68.6 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 167.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -50.53 68.6 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.578 -0.701 . . . . 0.0 109.609 172.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.2 mt -53.71 -43.37 68.96 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.558 -1.339 . . . . 0.0 111.776 174.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.496 ' CE2' HG12 ' A' ' 75' ' ' VAL . 22.1 m-85 -54.68 -60.96 2.65 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.926 0.89 . . . . 0.0 112.154 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -75.82 -33.88 60.11 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.032 0.833 . . . . 0.0 112.602 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -50.89 -48.56 60.34 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.357 -1.464 . . . . 0.0 110.974 162.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.406 ' HB3' HD13 ' A' ' 84' ' ' ILE . 27.7 m -71.15 -11.35 60.89 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 69.8 42.36 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.311 2.645 . . . . 0.0 111.824 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.406 HD13 ' HB3' ' A' ' 82' ' ' SER . 1.7 mp -111.38 109.27 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 127.059 2.144 . . . . 0.0 107.822 174.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -66.98 155.1 39.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 118.16 -1.416 . . . . 0.0 111.672 162.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.7 mm -110.46 131.88 21.83 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.511 1.524 . . . . 0.0 108.698 167.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.58 133.02 53.91 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 122.728 2.285 . . . . 0.0 111.802 168.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 p -47.74 -43.76 27.39 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.304 1.041 . . . . 0.0 113.366 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -40.03 -61.92 0.8 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.607 1.163 . . . . 0.0 114.124 172.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.256 8.1 pt -67.13 -28.58 43.17 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 120.328 -1.482 . . . . 0.0 113.425 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.66 -47.79 87.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 119.972 1.26 . . . . 0.0 110.012 168.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -58.26 -57.81 11.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.277 0.631 . . . . 0.0 111.176 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -52.35 -53.26 46.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.794 0.838 . . . . 0.0 110.743 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 94' ' ' LEU . 1.3 tm? -51.23 -60.53 3.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.088 0.955 . . . . 0.0 111.474 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 71.1 t -52.85 -39.79 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.179 0.592 . . . . 0.0 111.465 174.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -41.82 97.05 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -63.06 -39.2 94.01 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.296 0.953 . . . . 0.0 110.509 167.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.16 53.73 1.3 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.034 1.334 . . . . 0.0 111.561 173.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.93 167.84 1.47 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.15 0.98 . . . . 0.0 112.79 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -87.2 -55.91 3.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.369 1.068 . . . . 0.0 110.896 -171.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -106.43 146.05 31.0 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -161.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.99 -46.09 2.02 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.695 1.998 . . . . 0.0 111.733 163.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.486 HE22 HD11 ' A' ' 106' ' ' LEU . 22.0 tp60 -64.92 -42.53 94.62 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.809 -1.182 . . . . 0.0 112.877 177.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -65.55 -44.09 87.86 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.126 0.57 . . . . 0.0 111.042 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.455 HG23 HG21 ' A' ' 75' ' ' VAL . 28.6 m -69.63 -39.73 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 O-C-N 121.667 -0.646 . . . . 0.0 110.071 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.579 HD13 ' HD2' ' B' ' 126' ' ' ARG 0.254 1.0 OUTLIER -62.85 -38.18 89.8 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 117.777 -1.569 . . . . 0.0 112.259 171.177 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -57.77 -59.5 5.12 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.767 -1.208 . . . . 0.0 111.515 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -61.07 -52.64 64.08 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.828 0.851 . . . . 0.0 111.713 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.6 mt -52.07 -53.38 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 121.432 -0.792 . . . . 0.0 110.715 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -55.32 -41.12 71.99 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.86 -1.15 . . . . 0.0 112.278 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 43.0 m -58.27 -58.03 10.29 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.671 -0.643 . . . . 0.0 112.036 173.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -64.8 -37.97 89.4 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.917 -1.115 . . . . 0.0 112.228 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -53.76 -28.03 32.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.08 1.752 . . . . 0.0 111.951 166.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.278 90.4 m -80.78 -40.22 25.46 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 118.89 -2.381 . . . . 0.0 114.532 170.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -55.36 9.62 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.593 1.088 . . . . 0.0 111.591 161.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -54.79 -40.94 69.96 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -51.94 -52.54 49.53 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.291 -1.506 . . . . 0.0 112.912 167.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.73 -47.15 74.14 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.204 0.911 . . . . 0.0 112.557 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.466 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 78.3 mm-40 -54.54 -44.77 73.14 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 120.782 -1.199 . . . . 0.0 112.517 172.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.95 -19.19 61.93 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 120.255 -1.528 . . . . 0.0 113.024 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -82.04 -48.04 11.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.284 1.834 . . . . 0.0 113.135 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.466 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 49.1 mtmt -42.77 145.45 0.46 Allowed 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -172.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.79 143.88 57.08 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.409 1.483 . . . . 0.0 114.938 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -130.85 109.28 10.45 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.292 1.437 . . . . 0.0 109.35 172.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -73.06 -7.5 51.55 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -171.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? 67.69 -76.35 0.05 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.142 1.777 . . . . 0.0 114.656 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 64.48 -67.23 0.06 OUTLIER Glycine 0 CA--C 1.54 1.649 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -159.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.3 p -29.42 115.16 0.1 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.964 2.106 . . . . 0.0 113.532 163.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.6 mt -69.67 74.94 0.42 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.911 1.284 . . . . 0.0 114.307 -162.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.5 tptp . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 126.855 2.062 . . . . 0.0 115.244 -178.506 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 82.2 mtp -95.54 -155.74 0.49 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.419 1.888 . . . . 0.0 109.035 160.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -38.66 117.51 0.65 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.38 132.6 0.57 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.432 1.893 . . . . 0.0 115.387 -171.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 49.6 p -63.62 86.57 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.204 1.402 . . . . 0.0 113.891 -167.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 40.1 t -71.98 79.8 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 120.692 -1.255 . . . . 0.0 108.581 163.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -58.13 102.93 0.12 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp 74.71 70.04 0.09 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.484 1.514 . . . . 0.0 113.812 165.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -79.8 -171.39 2.84 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.993 1.317 . . . . 0.0 112.559 160.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.4 -67.39 0.31 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -167.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 30.3 p -59.57 -44.73 93.21 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.463 -0.773 . . . . 0.0 112.422 -174.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -65.52 -41.27 93.3 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.804 -1.185 . . . . 0.0 111.935 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.41 -48.57 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 120.583 -1.323 . . . . 0.0 111.064 174.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.96 -47.65 80.24 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 122.091 0.948 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.08 -38.01 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 O-C-N 121.472 -0.767 . . . . 0.0 111.938 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -42.05 80.2 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.703 1.201 . . . . 0.0 112.862 171.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.17 -39.69 95.39 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.433 -0.792 . . . . 0.0 110.144 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.423 ' HB3' HD11 ' A' ' 124' ' ' LEU . 50.2 mt -53.94 -45.77 71.34 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 120.551 -1.343 . . . . 0.0 110.535 171.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.446 ' HA ' ' CD2' ' A' ' 124' ' ' LEU . 39.4 m-85 -57.96 -54.37 47.71 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.581 -0.699 . . . . 0.0 112.214 174.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -81.53 -35.34 30.44 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -164.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -56.96 -34.07 67.68 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.451 -2.031 . . . . 0.0 111.679 161.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -78.97 -3.47 45.16 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.48 -1.387 . . . . 0.0 113.103 171.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 40.6 74.52 0.1 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.862 2.865 . . . . 0.0 114.728 -160.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.6 mt -122.14 118.37 55.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 126.293 1.837 . . . . 0.0 110.976 164.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -70.18 143.29 52.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 118.684 -1.206 . . . . 0.0 111.06 162.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 25.7 mm -99.95 129.6 28.12 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 125.065 1.346 . . . . 0.0 108.83 164.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.05 119.88 4.34 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.026 2.484 . . . . 0.0 112.419 172.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -28.3 -62.22 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.512 2.325 . . . . 0.0 113.549 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.46 -49.73 5.27 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.543 1.537 . . . . 0.0 114.18 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' ILE . . . . . 0.634 HG21 ' HB3' ' B' ' 112' ' ' GLN 0.271 14.8 pt -73.73 -28.94 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 O-C-N 120.256 -1.527 . . . . 0.0 112.742 178.473 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 14.4 mt -59.12 -49.33 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 120.202 1.365 . . . . 0.0 109.868 165.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -51.34 -63.06 1.25 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.604 1.561 . . . . 0.0 110.384 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.53 -43.53 97.05 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 120.962 -1.087 . . . . 0.0 112.001 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -46.37 83.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.103 -0.998 . . . . 0.0 111.97 176.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 25.2 t -58.5 -23.93 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 125.271 1.429 . . . . 0.0 114.297 167.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.09 -55.23 6.35 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 119.932 -1.73 . . . . 0.0 110.689 166.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.15 -59.98 4.55 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -176.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 14.1 mtm105 48.5 74.25 0.18 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.012 1.325 . . . . 0.0 112.563 -167.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.01 148.58 43.51 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.139 168.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . 0.261 5.4 pp0? -72.31 -44.97 61.93 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 120.878 -1.139 . . . . 0.0 113.231 -163.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 27.6 t -95.68 150.09 20.75 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -40.24 -42.96 1.6 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.636 1.975 . . . . 0.0 110.747 160.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -62.53 -41.52 98.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.267 -0.896 . . . . 0.0 112.4 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -71.99 -49.49 36.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.846 -0.534 . . . . 0.0 110.761 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 25.7 m -63.78 -38.16 81.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.288 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.7 pp -65.39 -39.35 92.12 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.213 -1.555 . . . . 0.0 111.564 174.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -55.43 -57.52 11.54 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 120.227 1.376 . . . . 0.0 111.661 172.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -51.52 -60.0 3.63 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.435 0.636 . . . . 0.0 111.493 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.0 mt -57.26 -50.56 76.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 O-C-N 121.286 -0.883 . . . . 0.0 111.378 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.9 -42.64 97.4 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.823 -1.173 . . . . 0.0 112.081 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 64.0 p -61.09 -50.33 73.71 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.368 -0.832 . . . . 0.0 111.775 170.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLN . . . . . 0.634 ' HB3' HG21 ' B' ' 90' ' ' ILE . 14.3 mm100 -64.52 -38.31 90.57 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.069 0.938 . . . . 0.0 112.751 -177.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -56.17 -37.89 70.18 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.909 1.683 . . . . 0.0 111.085 168.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 87.2 m -73.92 -38.14 64.39 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.234 -0.916 . . . . 0.0 113.403 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.05 -61.13 2.33 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.205 0.912 . . . . 0.0 110.405 162.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' TRP . . . . . 0.629 ' HE1' HG23 ' B' ' 90' ' ' ILE . 42.5 m95 -50.51 -44.69 56.25 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -51.07 -52.27 45.01 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.243 -0.911 . . . . 0.0 112.262 174.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.75 -38.36 83.37 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.47 -42.67 83.02 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 120.339 -1.475 . . . . 0.0 111.96 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -72.11 -4.42 28.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.663 -1.273 . . . . 0.0 113.154 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -108.12 -39.58 5.46 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.401 2.28 . . . . 0.0 112.357 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -47.87 147.18 2.08 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.326 1.85 . . . . 0.0 114.9 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.13 102.72 0.05 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.781 2.032 . . . . 0.0 116.197 -170.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -100.72 109.66 21.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.939 0.791 . . . . 0.0 109.462 162.862 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -7.83 52.19 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -173.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.579 ' HD2' HD13 ' A' ' 106' ' ' LEU . 26.7 mmt85 71.83 -40.25 0.47 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.95 2.1 . . . . 0.0 114.686 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.3 43.49 6.99 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.673 1.13 . . . . 0.0 110.341 -166.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 6.0 t 61.13 -167.23 0.19 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.168 0.987 . . . . 0.0 113.084 -169.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 33.4 tp -78.12 133.32 37.87 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.889 1.276 . . . . 0.0 109.239 164.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp . . . . . 0 CA--C 1.536 0.44 0 O-C-N 121.417 -0.802 . . . . 0.0 112.319 -178.114 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 ttp -158.85 160.41 36.14 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.826 2.051 . . . . 0.0 108.307 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.6 179.89 0.22 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -73.66 69.74 1.31 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.018 1.727 . . . . 0.0 115.066 -146.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.7 t -69.15 66.54 0.16 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.806 1.242 . . . . 0.0 111.753 168.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.88 59.15 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -160.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -68.58 62.6 0.1 Allowed 'General case' 0 CA--C 1.546 0.827 0 O-C-N 119.879 -1.763 . . . . 0.0 112.83 166.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.25 97.73 0.05 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.495 1.118 . . . . 0.0 110.54 167.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t -110.39 -178.29 3.46 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.323 2.249 . . . . 0.0 111.783 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -34.17 -68.5 0.11 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.456 1.902 . . . . 0.0 115.108 -169.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.7 p -58.3 -61.99 2.16 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pm0 -58.9 -39.85 82.71 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 120.319 -1.488 . . . . 0.0 112.255 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.9 -42.88 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.569 -0.707 . . . . 0.0 111.526 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.72 -50.49 66.73 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 122.354 1.073 . . . . 0.0 111.278 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.595 HG12 ' CE2' ' A' ' 79' ' ' TYR . 13.6 t -68.55 -27.87 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 120.349 -1.469 . . . . 0.0 111.177 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.17 -31.32 61.28 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 165.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.58 -52.38 26.65 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 170.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.98 -33.88 62.85 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.189 -0.944 . . . . 0.0 112.293 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.691 ' CE1' HD12 ' B' ' 124' ' ' LEU . 29.3 m-85 -61.22 -61.76 2.32 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.323 1.449 . . . . 0.0 112.848 168.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.74 -35.64 67.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.856 1.207 . . . . 0.0 112.675 -172.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -61.08 -20.91 63.14 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.314 -1.491 . . . . 0.0 112.848 163.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.1 -9.28 58.73 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 119.832 -1.792 . . . . 0.0 114.688 165.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 62.68 43.32 7.49 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.344 2.657 . . . . 0.0 112.541 -165.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.2 mt -104.48 95.27 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 124.528 1.131 . . . . 0.0 109.877 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.75 74.31 5.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.958 -177.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.0 mm -42.37 131.15 2.79 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 125.44 1.496 . . . . 0.0 113.508 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.14 146.9 32.69 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.494 2.129 . . . . 0.0 110.636 170.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -45.06 -42.99 9.1 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.64 1.576 . . . . 0.0 111.883 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.19 -4.44 21.62 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.585 1.554 . . . . 0.0 114.397 -174.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.1 mm -79.98 -56.47 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 120.623 -1.298 . . . . 0.0 109.314 156.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.2 mt -57.89 -45.2 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.592 1.157 . . . . 0.0 110.518 -169.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -37.71 -79.01 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.544 2.338 . . . . 0.0 112.887 164.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.29 -36.81 83.25 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.3 1.04 . . . . 0.0 111.499 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -66.26 0.47 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.185 0.594 . . . . 0.0 112.078 172.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.57 -38.16 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 O-C-N 121.553 -0.717 . . . . 0.0 112.759 -175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -45.63 -38.79 7.0 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 171.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -74.77 -20.56 59.75 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.084 -1.01 . . . . 0.0 113.663 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 52.44 56.08 8.2 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.695 1.598 . . . . 0.0 113.976 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.1 mt -64.71 168.08 6.57 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.321 -0.862 . . . . 0.0 112.301 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -110.31 -55.58 2.44 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -166.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.2 p -103.31 164.81 11.41 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 123.562 1.648 . . . . 0.0 115.095 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.401 ' OE2' ' NZ ' ' B' ' 130' ' ' LYS . 20.5 mp0 -57.4 -37.33 72.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.889 1.676 . . . . 0.0 111.656 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -60.42 -46.15 91.04 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.261 -0.9 . . . . 0.0 111.761 173.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.8 -47.27 81.52 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.392 -0.818 . . . . 0.0 111.0 -177.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -65.27 -41.17 90.82 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.29 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 1.2 pp -65.64 -38.54 89.65 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.124 1.329 . . . . 0.0 111.999 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -60.16 -57.37 13.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.679 0.752 . . . . 0.0 110.45 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 112' ' ' GLN . 28.2 t80 -58.68 -52.03 67.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.592 1.157 . . . . 0.0 111.772 -177.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.07 -53.61 32.57 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 O-C-N 121.684 -0.635 . . . . 0.0 111.209 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.6 -40.44 83.24 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.689 -1.257 . . . . 0.0 112.226 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.1 m -57.9 -58.69 7.28 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.43 0.692 . . . . 0.0 112.312 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.411 ' HG3' ' CE1' ' A' ' 108' ' ' TYR . 12.9 mm100 -64.95 -25.25 67.79 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 120.861 -1.149 . . . . 0.0 113.117 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -74.31 -16.5 60.93 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.517 1.927 . . . . 0.0 111.351 169.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.308 87.2 m -86.36 -36.51 19.18 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.04 -1.662 . . . . 0.0 114.081 164.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -61.28 2.39 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.756 1.162 . . . . 0.0 110.85 160.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -53.37 -46.8 69.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -45.38 -50.42 12.31 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.691 -1.256 . . . . 0.0 113.287 167.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.79 -46.4 89.69 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.159 0.891 . . . . 0.0 112.599 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -65.76 -13.41 59.33 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.081 -1.637 . . . . 0.0 113.867 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -88.12 -4.0 58.81 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 119.571 -1.956 . . . . 0.0 113.121 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -120.77 -43.44 2.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.484 1.914 . . . . 0.0 113.224 -169.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -50.18 138.2 16.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.531 1.133 . . . . 0.0 113.286 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.85 126.17 26.52 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.058 1.343 . . . . 0.0 114.082 -173.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.471 HD23 ' CE1' ' B' ' 79' ' ' TYR . 6.4 tp -116.07 121.19 41.46 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 151.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.62 14.73 0.07 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.376 2.271 . . . . 0.0 116.333 -176.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.428 ' HE ' HD13 ' B' ' 106' ' ' LEU . 6.5 mmm180 68.48 -63.17 0.35 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.018 1.727 . . . . 0.0 114.085 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.28 -74.1 0.4 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.114 0.864 . . . . 0.0 113.429 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 41.5 t -75.9 63.19 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.388 -1.066 . . . . 0.0 113.463 -173.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.38 61.13 1.2 Allowed 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.75 -1.219 . . . . 0.0 113.351 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? . . . . . 0 CA--C 1.543 0.703 0 O-C-N 120.236 -1.54 . . . . 0.0 110.93 172.303 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.425 ' HE2' ' CD ' ' B' ' 102' ' ' GLU . 29.7 t-80 . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 121.487 0.66 . . . . 0.0 111.56 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 89.7 mmm -75.6 57.34 0.96 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.751 1.22 . . . . 0.0 112.697 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.65 160.86 31.91 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.242 0.617 . . . . 0.0 111.705 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -33.33 116.53 0.25 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.821 2.449 . . . . 0.0 113.494 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 7.8 t -75.31 53.7 0.67 Allowed 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.036 -1.04 . . . . 0.0 113.273 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 9.4 p -116.22 171.59 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 126.644 1.978 . . . . 0.0 111.871 -175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -67.76 132.9 48.31 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.469 -0.769 . . . . 0.0 111.812 170.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 mp 47.44 72.23 0.27 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.251 1.42 . . . . 0.0 113.94 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -99.49 -172.82 2.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.176 1.79 . . . . 0.0 112.061 170.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.55 -62.48 1.42 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -164.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 p -58.34 -57.79 11.37 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 pm0 -59.38 -39.81 84.53 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.818 -1.176 . . . . 0.0 112.575 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.61 -46.9 95.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.289 -0.882 . . . . 0.0 111.482 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.07 91.06 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.956 0.884 . . . . 0.0 111.061 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.518 HG12 ' CE2' ' B' ' 79' ' ' TYR . 20.8 t -73.03 -32.34 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.083 -1.011 . . . . 0.0 111.832 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.89 -29.1 54.99 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.48 -1.388 . . . . 0.0 114.35 166.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.78 -51.62 13.63 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 173.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 68.6 mt -47.78 -44.75 28.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.599 -1.313 . . . . 0.0 112.19 171.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.518 ' CE2' HG12 ' B' ' 75' ' ' VAL . 20.0 m-85 -51.5 -57.11 9.94 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.122 -0.986 . . . . 0.0 112.46 172.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.253 9.2 mm-40 -81.33 -26.68 35.4 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -46.72 -46.34 20.18 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.115 -1.616 . . . . 0.0 109.875 155.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -78.28 -7.34 57.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.279 9.8 t-20 51.05 80.63 0.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 130.356 3.462 . . . . 0.0 116.342 -163.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.0 mp -136.43 110.37 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.088 1.755 . . . . 0.0 110.001 170.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -64.87 134.22 53.56 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 118.691 -1.204 . . . . 0.0 108.664 159.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 30.3 mm -96.56 132.32 26.57 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.944 1.298 . . . . 0.0 109.306 171.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.12 141.4 87.45 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.168 1.912 . . . . 0.0 112.617 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 27.1 m -43.95 -49.48 8.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.784 1.234 . . . . 0.0 111.195 166.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.17 -47.07 46.1 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 17.7 mm -55.28 -54.08 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.692 -1.255 . . . . 0.0 109.824 172.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.7 mt -57.62 -44.73 85.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.989 -0.445 . . . . 0.0 110.743 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.15 -70.88 0.08 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.273 1.029 . . . . 0.0 111.693 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -52.95 -51.88 59.94 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.638 1.175 . . . . 0.0 111.331 -174.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -55.26 22.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.986 1.314 . . . . 0.0 111.946 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.75 -41.29 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 O-C-N 121.12 -0.987 . . . . 0.0 112.155 174.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.28 -49.44 77.6 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.823 0.849 . . . . 0.0 112.592 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -63.46 -28.05 69.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.371 -0.831 . . . . 0.0 112.304 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? 66.56 44.38 2.3 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.345 1.058 . . . . 0.0 113.555 164.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.01 155.58 19.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.574 0.75 . . . . 0.0 111.231 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -131.87 34.96 3.8 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.275 -0.89 . . . . 0.0 112.12 -168.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 30.0 t -160.82 135.14 7.2 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.527 -0.733 . . . . 0.0 111.483 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.425 ' CD ' ' HE2' ' B' ' 61' ' ' HIS . 43.5 mp0 -52.38 -47.42 66.19 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.222 1.809 . . . . 0.0 111.823 -176.031 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.5 -42.26 98.51 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.887 -1.133 . . . . 0.0 111.861 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -69.66 -34.13 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 120.61 -1.306 . . . . 0.0 111.254 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.31 -47.32 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.823 168.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.46 ' HB3' HG11 ' B' ' 75' ' ' VAL . 1.6 pp -63.2 -29.88 71.14 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.111 -1.618 . . . . 0.0 113.061 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -64.28 -62.3 1.7 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.116 0.966 . . . . 0.0 110.922 169.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -57.49 -50.4 73.18 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.515 0.726 . . . . 0.0 111.44 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -51.69 -54.58 12.12 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 C-N-CA 123.03 0.532 . . . . 0.0 110.852 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.35 -37.28 80.19 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.903 -1.123 . . . . 0.0 112.471 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 28.2 m -58.41 -59.36 5.47 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.778 0.831 . . . . 0.0 111.838 172.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -65.76 -32.15 73.54 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.893 -1.129 . . . . 0.0 112.08 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -61.19 -29.5 69.84 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.313 -1.492 . . . . 0.0 111.246 168.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.271 87.8 m -80.47 -37.52 31.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.272 -1.518 . . . . 0.0 114.049 173.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -48.77 -60.33 2.82 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.026 0.83 . . . . 0.0 110.749 157.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -50.04 -46.31 52.95 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.54 -47.23 57.69 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.662 -0.649 . . . . 0.0 112.608 173.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.56 -40.32 66.76 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.756 0.707 . . . . 0.0 112.873 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -56.75 -33.17 66.3 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.025 -1.672 . . . . 0.0 112.087 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -78.02 -7.95 57.54 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.277 -1.514 . . . . 0.0 114.279 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -92.62 -48.61 6.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.125 1.77 . . . . 0.0 112.481 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -41.95 143.96 0.49 Allowed 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 135.18 57.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.289 1.435 . . . . 0.0 114.77 178.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.691 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -110.13 123.51 49.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.748 0.819 . . . . 0.0 109.41 155.675 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.1 29.26 0.05 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? 63.07 -53.4 0.18 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 128.179 2.592 . . . . 0.0 116.174 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.29 47.23 1.24 Allowed Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.155 1.36 . . . . 0.0 110.848 -166.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 59.6 p 48.54 -112.3 0.49 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.303 1.041 . . . . 0.0 112.264 -167.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 64.7 tp -116.64 117.91 31.12 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.922 1.689 . . . . 0.0 109.303 171.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' LYS . . . . . 0.401 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.714 0 C-N-CA 125.611 1.564 . . . . 0.0 114.253 -173.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 91.0 mtp -68.09 131.62 45.75 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.899 -0.501 . . . . 0.0 109.726 164.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.5 119.83 16.2 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -171.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -83.87 50.52 1.84 Allowed 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.572 -1.33 . . . . 0.0 111.511 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . 0.256 13.8 t 45.74 -169.28 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.333 1.853 . . . . 0.0 114.988 -172.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.4 p -45.89 -65.64 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -164.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -83.94 122.0 28.14 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.1 -1.0 . . . . 0.0 113.424 -169.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.453 ' H ' ' CG2' ' A' ' 95' ' ' VAL . 7.0 mp 50.41 74.19 0.23 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.885 2.074 . . . . 0.0 112.367 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.7 t -86.24 -175.14 5.39 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.057 1.343 . . . . 0.0 113.357 171.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.74 -50.36 66.14 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -167.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.1 p -69.94 -48.65 57.59 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.315 -0.866 . . . . 0.0 113.331 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -69.19 -35.08 75.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.373 1.069 . . . . 0.0 110.602 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.36 -47.01 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 O-C-N 120.991 -1.068 . . . . 0.0 111.418 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.54 65.43 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 123.219 1.485 . . . . 0.0 111.985 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.402 HG12 ' CE2' ' A' ' 79' ' ' TYR . 3.6 t -74.95 -36.81 39.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.567 -1.333 . . . . 0.0 113.001 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.87 -32.81 72.23 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.272 1.429 . . . . 0.0 114.22 171.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -67.52 -55.57 12.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.769 -1.196 . . . . 0.0 107.769 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.22 -37.42 82.97 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.621 -1.299 . . . . 0.0 113.037 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.502 ' CD1' HD22 ' B' ' 124' ' ' LEU . 3.9 m-85 -47.77 -50.07 26.71 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.952 -1.092 . . . . 0.0 112.221 165.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.6 -31.67 47.23 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -56.08 -29.43 60.56 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 119.282 -2.136 . . . . 0.0 111.818 158.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.1 m -85.99 -4.63 59.21 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.284 -1.51 . . . . 0.0 115.073 168.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 46.5 62.05 2.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.759 2.824 . . . . 0.0 114.148 -163.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.4 mt -118.48 97.74 5.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 125.91 1.684 . . . . 0.0 111.116 173.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 -71.26 108.19 4.62 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.081 -1.012 . . . . 0.0 110.329 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.8 mm -71.77 124.61 91.16 Favored Pre-proline 0 CA--C 1.545 0.777 0 O-C-N 119.297 -2.127 . . . . 0.0 111.007 175.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.445 ' CD ' HH12 ' A' ' 113' ' ' ARG . 14.4 Cg_endo -71.74 148.57 52.89 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.102 1.868 . . . . 0.0 109.782 172.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -30.95 -43.06 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 127.092 2.157 . . . . 0.0 113.056 163.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.89 -5.58 55.82 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 127.0 2.12 . . . . 0.0 112.886 -166.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.7 mm -81.2 -45.43 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 119.786 -1.821 . . . . 0.0 109.958 155.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.1 mt -71.92 -35.67 55.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.878 0.871 . . . . 0.0 111.077 -167.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -31.41 -55.78 0.25 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.661 2.784 . . . . 0.0 112.024 165.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.12 -68.0 0.63 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.928 2.491 . . . . 0.0 110.537 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 108' ' ' TYR . 1.2 tm? -60.17 -47.24 86.76 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -158.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.453 ' CG2' ' H ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -54.25 -26.98 16.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -174.416 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -73.22 -60.48 2.22 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.362 0.601 . . . . 0.0 110.798 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -94.42 53.83 1.74 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.968 0.907 . . . . 0.0 112.209 -176.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 34.0 0.17 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -169.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.1 mt 51.94 -154.02 0.19 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.642 0.777 . . . . 0.0 113.063 167.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -111.3 -52.56 2.78 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.048 1.339 . . . . 0.0 111.509 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.2 m -113.7 152.38 30.56 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -168.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -39.24 -54.39 1.81 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.273 1.029 . . . . 0.0 112.665 165.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -55.87 -39.97 72.28 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.606 -0.684 . . . . 0.0 111.825 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.23 -49.99 51.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.871 -0.518 . . . . 0.0 110.704 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.5 -36.05 76.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.831 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' B' ' 126' ' ' ARG 0.28 2.3 pp -70.59 -39.04 74.06 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 120.078 1.308 . . . . 0.0 113.196 174.664 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -53.97 -56.35 18.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.468 1.031 . . . . 0.0 110.923 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.453 ' CD1' HD23 ' A' ' 94' ' ' LEU . 50.2 t80 -55.73 -57.48 11.84 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.929 1.292 . . . . 0.0 112.088 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.32 -47.38 77.98 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 123.889 0.876 . . . . 0.0 111.632 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.65 -37.99 83.33 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 120.659 1.572 . . . . 0.0 112.358 176.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.4 m -61.06 -60.42 3.8 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.617 -0.677 . . . . 0.0 112.049 171.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -56.62 -34.64 67.44 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.197 0.999 . . . . 0.0 112.243 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -64.2 -30.49 71.55 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.471 -1.393 . . . . 0.0 111.525 172.765 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.252 54.9 m -77.98 -35.67 49.83 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.537 -1.352 . . . . 0.0 113.765 169.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -50.66 -57.72 7.57 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.722 1.146 . . . . 0.0 111.199 161.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -54.85 -44.11 73.69 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.733 -1.229 . . . . 0.0 113.413 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -47.65 -49.85 26.27 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.576 -1.328 . . . . 0.0 111.192 168.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.92 -42.48 94.67 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -54.16 -29.85 47.05 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 119.784 -1.822 . . . . 0.0 112.153 168.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.7 6.04 33.17 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.377 -1.452 . . . . 0.0 113.714 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -122.74 -32.13 3.6 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.635 2.374 . . . . 0.0 112.713 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -46.97 145.25 2.13 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.169 1.388 . . . . 0.0 114.174 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 132.45 47.39 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.513 1.525 . . . . 0.0 114.964 175.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.694 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -110.22 123.08 49.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.929 0.892 . . . . 0.0 109.109 152.121 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -74.9 30.58 0.09 Allowed 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.323 -1.486 . . . . 0.0 114.32 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? 63.78 -67.88 0.09 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.164 1.786 . . . . 0.0 113.724 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.38 -73.74 0.42 Allowed Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.558 -0.713 . . . . 0.0 112.401 -173.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 97.7 p -76.54 67.29 2.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.337 -1.096 . . . . 0.0 112.465 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.52 60.18 0.64 Allowed 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.004 -1.06 . . . . 0.0 111.053 171.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 76.3 tttt . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 124.058 0.943 . . . . 0.0 112.786 -165.716 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 20.3 t60 . . . . . 0 CA--C 1.542 0.651 0 CA-C-O 121.381 0.61 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 40.3 ttm -74.39 54.65 0.59 Allowed 'General case' 0 CA--C 1.547 0.846 0 O-C-N 120.968 -1.083 . . . . 0.0 110.293 168.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -85.3 101.08 12.24 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.083 -1.01 . . . . 0.0 112.225 -162.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.435 ' H ' ' HD3' ' B' ' 64' ' ' LYS . 0.0 OUTLIER -49.95 79.22 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.924 2.089 . . . . 0.0 114.196 178.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 85.6 m 58.34 124.33 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.606 1.562 . . . . 0.0 111.622 -154.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 p -46.4 130.59 3.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 124.774 1.229 . . . . 0.0 113.158 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -71.2 68.84 0.5 Allowed 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.83 93.01 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.88 1.672 . . . . 0.0 110.447 157.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -97.02 176.92 5.78 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.867 1.267 . . . . 0.0 112.542 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.23 -61.64 0.86 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.696 1.598 . . . . 0.0 115.039 -168.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 p -61.93 -55.84 25.34 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -62.14 -35.2 78.03 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.876 -1.14 . . . . 0.0 112.192 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.58 -51.04 75.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 O-C-N 121.27 -0.894 . . . . 0.0 111.185 173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.84 -38.03 69.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.326 1.06 . . . . 0.0 111.496 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 t -72.0 -36.97 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 O-C-N 121.537 -0.727 . . . . 0.0 112.482 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.37 -27.82 69.34 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.932 -1.105 . . . . 0.0 113.96 168.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.67 -51.75 13.52 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.781 -0.574 . . . . 0.0 109.742 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 42.5 mt -46.51 -41.41 14.12 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.646 -1.284 . . . . 0.0 111.684 168.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.694 ' CE1' HD12 ' A' ' 124' ' ' LEU . 19.9 m-85 -56.79 -56.23 24.21 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 169.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.11 -28.86 60.41 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 121.671 2.032 . . . . 0.0 114.14 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -49.78 -45.91 50.25 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.169 -1.582 . . . . 0.0 110.606 159.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.3 p -77.3 -6.18 52.23 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.013 -1.054 . . . . 0.0 113.658 175.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 42.52 69.82 0.34 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.608 2.763 . . . . 0.0 115.045 -159.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 62.7 mt -117.37 109.53 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.331 1.452 . . . . 0.0 112.667 167.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -69.78 121.5 17.35 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.745 -1.222 . . . . 0.0 110.459 167.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 48.7 mm -90.34 121.49 68.46 Favored Pre-proline 0 CA--C 1.543 0.696 0 O-C-N 119.987 -1.695 . . . . 0.0 110.207 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.53 126.16 21.05 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 121.636 1.557 . . . . 0.0 111.502 170.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -41.32 -41.34 1.91 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.998 2.119 . . . . 0.0 113.885 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -49.57 -45.25 47.51 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.233 1.013 . . . . 0.0 113.441 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 13.4 mm -50.06 -53.97 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 122.215 1.007 . . . . 0.0 110.522 169.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 41.0 mt -64.87 -46.84 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.209 -170.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -48.9 -63.7 1.02 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.206 1.002 . . . . 0.0 111.499 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.65 -55.48 29.2 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.719 -0.613 . . . . 0.0 109.886 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.459 HD23 ' CD2' ' B' ' 108' ' ' TYR . 0.9 OUTLIER -53.01 -49.07 66.98 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -175.512 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 t -49.36 -38.19 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.733 1.213 . . . . 0.0 113.754 172.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -72.8 -58.35 3.4 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.647 0.779 . . . . 0.0 111.897 171.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -52.73 -48.64 66.54 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.106 1.362 . . . . 0.0 112.802 -174.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 61.27 75.63 0.4 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 164.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.83 173.32 5.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.646 0.779 . . . . 0.0 112.255 172.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -75.14 -35.96 61.62 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.081 -1.012 . . . . 0.0 112.994 -170.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 26.2 p -145.86 164.33 32.29 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -172.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -36.95 -54.03 0.95 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.522 2.729 . . . . 0.0 112.602 170.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -56.57 -47.18 80.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.141 0.972 . . . . 0.0 111.86 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.77 -44.37 73.8 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.794 -0.566 . . . . 0.0 110.781 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.11 -39.02 83.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.637 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.301 3.7 pp -63.97 -39.6 94.51 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.794 1.634 . . . . 0.0 112.204 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -60.38 -53.37 58.39 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.286 -0.884 . . . . 0.0 111.643 175.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' TYR . . . . . 0.459 ' CD2' HD23 ' B' ' 94' ' ' LEU . 72.0 t80 -57.05 -55.56 33.1 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.997 1.319 . . . . 0.0 112.239 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 60.4 mt -49.09 -53.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 124.204 1.002 . . . . 0.0 111.224 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -62.64 -40.4 96.88 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.182 -0.949 . . . . 0.0 112.867 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 52.3 m -54.26 -53.62 51.24 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.18 -0.95 . . . . 0.0 111.709 170.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.26 -28.27 69.05 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.009 -1.057 . . . . 0.0 112.295 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -79.51 -4.43 51.31 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.251 -1.53 . . . . 0.0 113.545 171.48 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.317 12.4 m -83.09 -36.95 24.45 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 119.634 -1.916 . . . . 0.0 112.951 156.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.39 -64.42 0.83 Allowed 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.469 1.032 . . . . 0.0 111.846 160.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -55.43 -38.52 69.09 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.004 -1.06 . . . . 0.0 113.622 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.26 -57.13 6.39 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.616 -1.303 . . . . 0.0 112.653 164.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.96 -39.72 90.62 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.034 0.834 . . . . 0.0 112.217 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.5 -27.96 63.02 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.528 -1.358 . . . . 0.0 112.63 170.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -91.56 25.9 2.5 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.997 1.719 . . . . 0.0 112.627 170.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -146.35 -18.98 0.43 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -68.45 50.26 0.07 Allowed 'General case' 0 CA--C 1.563 1.466 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -173.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.18 91.97 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 118.768 2.877 . . . . 0.0 118.768 164.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 79' ' ' TYR . 17.5 tp -81.96 93.05 6.86 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.245 -1.535 . . . . 0.0 112.058 167.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -63.28 -43.84 96.78 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.822 0.849 . . . . 0.0 112.116 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.492 ' HG3' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER 76.29 -40.92 0.4 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.28 1.832 . . . . 0.0 114.794 170.161 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.92 -56.92 3.7 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 99.3 p -69.18 74.39 0.33 Allowed 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.67 -0.9 . . . . 0.0 110.1 161.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 59.1 tp -52.98 123.04 10.53 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.678 1.591 . . . . 0.0 113.608 -171.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt . . . . . 0 CA--C 1.541 0.604 0 O-C-N 121.637 -0.664 . . . . 0.0 112.678 175.776 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.75 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.5 ttp -48.13 104.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -71.48 171.16 11.82 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.763 1.625 . . . . 0.0 112.345 173.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -22.86 100.87 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.895 2.478 . . . . 0.0 113.441 162.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.7 p -77.67 58.38 1.8 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.952 1.301 . . . . 0.0 112.501 -174.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -84.51 -23.27 7.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.804 1.241 . . . . 0.0 111.175 165.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -90.88 174.64 7.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.027 1.331 . . . . 0.0 111.579 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.273 5.0 tp 65.66 48.73 1.89 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.64 1.209 . . . . 0.0 109.303 -135.021 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.6 t -118.2 -167.35 1.34 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 128.196 2.598 . . . . 0.0 110.725 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -28.26 -69.76 0.05 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.355 2.262 . . . . 0.0 116.256 -164.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.08 -57.85 9.25 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -175.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pm0 -63.13 -29.78 71.07 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.517 -1.365 . . . . 0.0 112.864 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.55 -42.42 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 120.611 -1.306 . . . . 0.0 111.712 170.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.29 79.75 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.791 1.282 . . . . 0.0 111.43 172.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.734 HG21 HG23 ' A' ' 105' ' ' VAL . 12.7 t -62.47 -36.58 75.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 119.296 -2.128 . . . . 0.0 111.628 169.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -34.63 58.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 166.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -45.06 78.39 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.505 -0.747 . . . . 0.0 110.528 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' B' ' 124' ' ' LEU . 6.3 mt -63.25 -36.55 84.04 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.108 -0.995 . . . . 0.0 111.33 174.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.739 ' CE1' HD12 ' B' ' 124' ' ' LEU . 18.2 m-85 -59.79 -45.33 92.65 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.777 -1.202 . . . . 0.0 113.316 167.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.76 -50.86 72.35 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.891 0.769 . . . . 0.0 110.382 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -53.26 -40.22 64.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.082 1.353 . . . . 0.0 112.481 170.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 m -80.3 1.27 29.34 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 52.43 58.04 5.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.301 1.44 . . . . 0.0 111.735 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.552 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 25.4 mt -121.23 113.3 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 O-C-N 120.871 -1.143 . . . . 0.0 112.651 -174.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -78.94 128.91 33.9 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.988 -1.07 . . . . 0.0 110.323 168.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.2 mm -93.01 122.91 62.61 Favored Pre-proline 0 CA--C 1.542 0.663 0 O-C-N 120.898 -1.127 . . . . 0.0 111.276 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.6 141.71 73.78 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.376 2.05 . . . . 0.0 112.521 168.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -36.63 -51.37 0.85 Allowed 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.481 1.112 . . . . 0.0 110.906 156.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.5 3.05 4.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -175.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.1 mm -84.54 -50.43 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 120.597 -1.315 . . . . 0.0 108.979 155.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.76 -46.61 91.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 125.048 1.339 . . . . 0.0 110.074 -170.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -37.27 -37.58 0.18 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 129.173 2.989 . . . . 0.0 113.37 167.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.28 -62.96 1.33 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.697 1.599 . . . . 0.0 113.169 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -54.07 -45.87 71.83 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.468 1.107 . . . . 0.0 113.594 -171.214 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.4 t -54.11 -21.99 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 124.624 1.17 . . . . 0.0 112.905 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -74.52 -44.42 51.32 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.137 -0.977 . . . . 0.0 112.098 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -65.98 -59.05 4.21 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -168.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? 62.24 81.0 0.21 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.977 1.311 . . . . 0.0 112.034 -169.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.3 mt -74.21 175.57 7.44 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 122.955 0.502 . . . . 0.0 111.069 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -77.54 -47.02 20.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.479 -0.763 . . . . 0.0 111.405 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.0 t -116.89 148.36 41.38 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -166.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -42.68 -48.01 5.44 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.658 1.583 . . . . 0.0 110.807 161.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -60.68 -40.89 93.82 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.742 -1.224 . . . . 0.0 112.684 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -67.89 -45.94 73.03 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.808 -0.557 . . . . 0.0 111.475 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.734 HG23 HG21 ' A' ' 75' ' ' VAL 0.272 33.4 m -64.67 -37.74 80.88 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.402 177.117 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.409 ' HB3' HG13 ' A' ' 75' ' ' VAL 0.318 4.5 pp -66.13 -36.41 83.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 118.028 -1.469 . . . . 0.0 113.408 173.164 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -58.75 -57.45 12.96 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 120.775 -1.203 . . . . 0.0 111.596 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.422 ' CD1' HD23 ' A' ' 94' ' ' LEU . 40.5 t80 -53.19 -54.18 39.67 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.855 1.262 . . . . 0.0 111.481 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.81 -47.59 88.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 121.406 -0.808 . . . . 0.0 111.809 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.99 -41.48 64.65 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.103 -1.623 . . . . 0.0 112.097 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.1 m -61.89 -57.27 12.43 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.503 0.721 . . . . 0.0 112.241 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -60.95 -23.75 65.54 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.62 -1.3 . . . . 0.0 112.814 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.552 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 14.9 ttt-85 -76.84 -21.35 55.17 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 119.817 -1.802 . . . . 0.0 112.557 170.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.5 m -72.05 -47.02 54.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 120.423 -1.423 . . . . 0.0 112.768 163.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -47.73 -61.2 2.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.252 0.933 . . . . 0.0 110.718 162.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -53.66 -46.17 70.5 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -39.65 79.6 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.616 -1.302 . . . . 0.0 112.519 173.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.25 -47.22 85.32 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.319 -0.863 . . . . 0.0 112.857 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -58.36 -33.61 69.76 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 119.885 -1.759 . . . . 0.0 112.382 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -73.07 -9.09 58.36 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.007 -1.683 . . . . 0.0 114.004 172.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -112.4 -40.76 4.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.717 2.007 . . . . 0.0 113.614 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -42.96 143.03 0.8 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.317 1.847 . . . . 0.0 114.87 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 138.4 56.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.351 1.46 . . . . 0.0 114.094 173.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' B' ' 78' ' ' LEU . 4.4 tt -139.17 115.91 10.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.986 1.715 . . . . 0.0 108.122 166.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -74.32 27.19 0.08 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 -166.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 68.44 -54.12 0.54 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.586 1.954 . . . . 0.0 114.899 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.6 -75.3 0.41 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.496 1.046 . . . . 0.0 112.429 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 35.6 t -82.64 153.31 25.48 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.448 0.642 . . . . 0.0 111.589 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.2 tp -163.39 111.64 1.23 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.078 1.351 . . . . 0.0 110.028 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt . . . . . 0 CA--C 1.54 0.561 0 O-C-N 120.615 -1.303 . . . . 0.0 111.337 -174.892 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 36.2 t60 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 29.6 ttm -144.77 14.21 1.53 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 122.974 1.369 . . . . 0.0 114.396 159.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -63.11 176.84 0.68 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.94 2.496 . . . . 0.0 111.863 171.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -142.01 158.11 44.14 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.636 1.174 . . . . 0.0 111.456 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -143.37 -152.05 0.39 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.486 1.514 . . . . 0.0 109.344 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.0 t -65.62 79.45 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 O-C-N 120.779 -1.201 . . . . 0.0 109.74 169.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.36 141.75 28.56 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.185 1.794 . . . . 0.0 114.599 -167.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.271 6.6 mp 46.78 59.56 3.88 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 122.952 1.358 . . . . 0.0 112.034 -170.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.6 t -74.56 174.59 8.8 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.453 1.101 . . . . 0.0 111.808 165.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.83 -55.72 6.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.063 1.345 . . . . 0.0 113.53 -175.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 26.1 p -59.68 -59.61 5.16 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pm0 -65.13 -32.89 74.81 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 121.231 1.832 . . . . 0.0 112.96 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.11 -47.67 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 119.003 0.819 . . . . 0.0 110.959 170.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.91 87.99 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.257 0.551 . . . . 0.0 110.57 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.487 HG12 ' CE2' ' B' ' 79' ' ' TYR . 6.2 t -67.74 -39.2 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 O-C-N 121.152 -0.968 . . . . 0.0 111.266 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 23.8 mt -53.38 -30.14 38.26 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.918 1.287 . . . . 0.0 114.46 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -78.62 -48.15 15.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.461 ' HB3' HD21 ' A' ' 124' ' ' LEU . 29.6 mt -51.72 -40.13 59.63 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 119.838 -1.789 . . . . 0.0 112.599 169.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.487 ' CE2' HG12 ' B' ' 75' ' ' VAL . 25.7 m-85 -49.12 -60.69 2.58 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.22 170.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -80.68 -27.75 36.98 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -48.23 -45.9 34.69 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 120.033 -1.667 . . . . 0.0 110.358 160.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.6 p -80.25 -1.15 39.45 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.285 -0.884 . . . . 0.0 113.23 177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 54.3 58.25 5.13 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.161 2.584 . . . . 0.0 113.355 -170.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 60.4 mt -116.71 117.84 56.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 125.06 1.344 . . . . 0.0 111.267 162.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -70.99 131.54 43.83 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 160.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 6.2 mm -88.16 134.33 35.11 Favored Pre-proline 0 CA--C 1.541 0.634 0 O-C-N 120.866 -1.146 . . . . 0.0 109.016 167.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.02 137.66 19.77 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 121.077 1.185 . . . . 0.0 110.222 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 4.8 m -46.36 -42.78 15.42 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.437 1.895 . . . . 0.0 112.764 -173.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -44.59 -58.84 2.77 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.975 1.31 . . . . 0.0 113.577 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.0 pt -70.05 -22.7 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 O-C-N 120.139 -1.601 . . . . 0.0 112.612 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 16.4 mt -62.43 -49.93 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 120.774 -1.204 . . . . 0.0 110.007 166.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -54.25 -42.05 69.46 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.574 1.15 . . . . 0.0 112.362 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -67.21 -64.76 0.79 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.434 0.694 . . . . 0.0 110.714 173.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.58 -49.49 36.47 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.8 1.24 . . . . 0.0 111.8 -174.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 56.0 t -53.84 -38.91 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 O-C-N 121.153 -0.967 . . . . 0.0 113.171 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -47.6 64.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.763 0.825 . . . . 0.0 112.317 173.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -55.02 -32.61 61.97 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.496 0.665 . . . . 0.0 111.729 173.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? 58.45 41.46 22.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.16 1.384 . . . . 0.0 112.197 169.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.0 157.39 5.83 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -76.77 -44.6 32.29 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -161.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.1 p -154.08 175.45 13.42 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.827 0.822 . . . . 0.0 112.65 -172.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.4 mp0 -54.23 -43.91 71.27 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 125.932 1.693 . . . . 0.0 113.457 -167.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -65.78 -34.02 77.21 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.122 0.963 . . . . 0.0 112.39 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 -69.61 -41.52 75.61 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 121.189 -0.944 . . . . 0.0 111.697 173.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.47 -56.7 14.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.278 2.1 pp -58.76 -47.41 84.76 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.469 -0.769 . . . . 0.0 112.465 -174.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . 0.253 2.7 p30 -65.34 -45.7 83.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.902 1.683 . . . . 0.0 112.789 -177.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -65.88 -55.45 16.92 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.458 -0.776 . . . . 0.0 112.085 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -44.57 50.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 O-C-N 121.206 -0.934 . . . . 0.0 110.744 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.29 -34.57 78.65 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.801 -1.187 . . . . 0.0 111.176 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 87.7 m -61.84 -58.24 8.74 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.209 0.604 . . . . 0.0 111.855 170.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -60.91 -41.89 96.98 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.595 1.188 . . . . 0.0 112.224 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -54.86 -32.13 60.37 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.234 -1.541 . . . . 0.0 111.921 167.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 54.4 m -78.07 -36.52 48.19 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 119.879 -1.763 . . . . 0.0 113.916 172.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.96 -57.94 5.68 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.516 1.053 . . . . 0.0 110.638 160.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -55.09 -40.47 70.45 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -55.57 -55.13 35.53 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.839 -1.163 . . . . 0.0 112.354 172.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.26 -38.03 87.73 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.622 0.725 . . . . 0.0 112.172 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -63.31 -53.17 56.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.712 1.205 . . . . 0.0 111.341 173.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ASN . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 113' ' ' ARG . 87.3 m-20 -68.46 -11.76 60.23 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.156 1.782 . . . . 0.0 114.413 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -39.41 94.46 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.015 0.926 . . . . 0.0 111.193 164.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.06 139.4 58.09 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -118.65 139.01 52.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.264 2.226 . . . . 0.0 111.072 -165.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.739 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -84.76 100.74 11.72 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.084 -1.01 . . . . 0.0 110.087 176.431 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -76.94 6.79 5.66 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.357 -1.465 . . . . 0.0 113.762 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 75.29 -48.12 0.62 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.165 1.786 . . . . 0.0 113.736 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.18 -56.25 4.0 Favored Glycine 0 CA--C 1.535 1.306 0 O-C-N 121.486 -0.759 . . . . 0.0 112.959 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 13.5 t -151.91 -156.29 0.69 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.019 0.928 . . . . 0.0 111.168 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.55 63.54 1.54 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.769 1.228 . . . . 0.0 112.221 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 C--O 1.24 0.602 0 C-N-CA 125.065 1.346 . . . . 0.0 110.605 179.549 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.6 ttp -86.97 72.56 10.08 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.212 0.605 . . . . 0.0 109.819 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -15.52 87.91 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.766 2.826 . . . . 0.0 116.471 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -74.88 36.7 0.11 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.413 1.885 . . . . 0.0 114.494 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 p -33.45 -58.24 0.41 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.378 3.071 . . . . 0.0 113.77 174.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.97 -23.75 23.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -83.84 45.18 1.05 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.18 -1.575 . . . . 0.0 114.026 -166.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.63 109.05 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.957 1.303 . . . . 0.0 111.727 -174.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 t -76.03 178.52 6.25 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.801 0.81 . . . . 0.0 111.324 168.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.63 64.54 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -160.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.1 p -61.29 -51.22 69.81 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 120.842 -1.161 . . . . 0.0 113.508 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -66.46 -36.7 83.4 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.908 -1.12 . . . . 0.0 112.118 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.37 -46.48 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 120.855 -1.153 . . . . 0.0 111.671 172.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.13 69.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 122.791 1.281 . . . . 0.0 112.225 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.9 t -76.16 -32.58 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 119.977 -1.702 . . . . 0.0 112.18 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.88 -33.24 55.84 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.805 -1.184 . . . . 0.0 113.153 161.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . 0.257 0.0 OUTLIER -66.56 -45.11 80.43 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.728 -0.608 . . . . 0.0 109.869 174.714 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.576 ' HB3' HD11 ' B' ' 124' ' ' LEU . 17.1 mt -59.36 -39.33 82.89 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.619 -1.301 . . . . 0.0 111.914 171.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.732 ' CE1' HD12 ' B' ' 124' ' ' LEU . 24.3 m-85 -55.95 -47.0 78.4 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 117.558 -1.211 . . . . 0.0 113.068 170.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.261 67.0 mm-40 -80.45 -29.12 37.52 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -50.63 -28.7 9.33 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.293 -1.504 . . . . 0.0 110.779 155.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.76 -1.1 41.31 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 35.39 85.74 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 128.464 2.706 . . . . 0.0 115.58 -158.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -137.47 113.51 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 127.007 2.123 . . . . 0.0 111.232 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -66.69 134.69 52.75 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.543 -1.348 . . . . 0.0 109.358 160.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.0 mm -95.11 129.43 35.51 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 124.636 1.174 . . . . 0.0 109.791 171.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.48 122.51 11.89 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 121.882 1.721 . . . . 0.0 111.395 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.7 m -37.67 -41.15 0.46 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.173 2.189 . . . . 0.0 114.084 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -51.96 -41.83 62.41 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.5 mm -51.77 -59.39 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.811 0.815 . . . . 0.0 110.179 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.84 -45.46 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.004 0.922 . . . . 0.0 110.857 -172.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -50.75 -45.46 58.83 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.817 1.647 . . . . 0.0 112.317 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.1 -60.89 2.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.583 0.753 . . . . 0.0 111.538 172.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -46.81 38.29 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.16 0.984 . . . . 0.0 112.944 -169.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.07 -36.07 30.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 O-C-N 121.648 -0.658 . . . . 0.0 112.321 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -72.77 -50.13 26.37 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.248 1.419 . . . . 0.0 111.328 173.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -73.31 70.26 1.17 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.275 1.43 . . . . 0.0 110.958 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -63.35 77.34 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.556 1.542 . . . . 0.0 114.721 -172.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.93 166.44 13.52 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.679 0.792 . . . . 0.0 110.585 163.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -86.18 -62.78 1.44 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.219 -0.926 . . . . 0.0 111.385 -169.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.3 p -102.33 167.39 10.0 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -173.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -42.81 -53.53 4.56 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.841 0.829 . . . . 0.0 112.358 163.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -53.71 -43.6 69.12 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.352 1.072 . . . . 0.0 111.027 -171.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.35 -49.1 70.64 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 123.848 0.859 . . . . 0.0 111.06 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . 0.266 9.5 m -66.26 -40.62 87.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.181 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 4.6 pp -62.82 -30.6 71.61 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.242 -1.537 . . . . 0.0 112.444 173.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -68.0 -57.14 6.64 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.311 -1.493 . . . . 0.0 111.749 172.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -57.0 -53.44 58.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.264 0.625 . . . . 0.0 111.489 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -51.99 -51.25 30.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 123.27 0.628 . . . . 0.0 111.822 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -57.59 -40.44 79.04 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 120.979 1.718 . . . . 0.0 112.518 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.0 m -58.12 -57.77 11.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.691 0.796 . . . . 0.0 111.436 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.97 -33.05 66.67 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.548 1.939 . . . . 0.0 113.206 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -79.87 -16.12 56.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.901 2.48 . . . . 0.0 111.565 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.287 97.8 m -86.05 -37.22 19.13 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 119.899 -1.751 . . . . 0.0 112.595 166.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -48.87 -63.82 0.98 Allowed 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.638 -0.664 . . . . 0.0 111.604 156.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -55.27 -39.84 70.29 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.025 -1.047 . . . . 0.0 113.806 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -52.86 -52.66 56.5 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.827 -1.171 . . . . 0.0 112.54 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.25 -43.93 83.41 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.09 0.859 . . . . 0.0 112.588 175.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -59.21 -33.66 71.24 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.876 -1.14 . . . . 0.0 113.024 170.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -78.26 -10.86 59.84 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 119.617 -1.927 . . . . 0.0 114.229 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -96.31 -50.36 4.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.241 1.816 . . . . 0.0 112.896 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -46.39 147.23 1.2 Allowed 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -168.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.76 108.33 0.17 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 129.838 3.255 . . . . 0.0 117.082 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' B' ' 79' ' ' TYR . 0.3 OUTLIER -107.76 101.15 10.47 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.641 1.176 . . . . 0.0 111.546 168.053 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -12.1 60.36 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -169.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 64.68 -66.69 0.13 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.96 1.704 . . . . 0.0 112.362 -168.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.03 -70.37 1.0 Allowed Glycine 0 CA--C 1.534 1.224 0 O-C-N 121.466 -0.771 . . . . 0.0 112.891 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 35.3 t -73.9 147.73 42.91 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.96 -0.73 . . . . 0.0 112.389 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.63 178.73 3.39 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 122.929 0.492 . . . . 0.0 110.376 162.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.6 tttm . . . . . 0 CA--C 1.54 0.595 0 O-C-N 120.986 -1.071 . . . . 0.0 110.997 -175.825 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 5.0 p80 . . . . . 0 CA--C 1.542 0.67 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 27.9 ttt -63.12 90.56 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.64 -0.662 . . . . 0.0 109.231 166.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -73.42 117.6 15.37 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.84 -1.163 . . . . 0.0 114.085 -157.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.424 ' H ' ' HE3' ' B' ' 64' ' ' LYS . 0.0 OUTLIER -55.05 137.01 47.38 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 177.796 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 36.3 p -72.35 68.25 0.75 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.596 1.558 . . . . 0.0 111.811 175.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 97.9 t -126.31 133.1 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.875 0.87 . . . . 0.0 112.049 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -42.3 109.88 0.15 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.059 2.143 . . . . 0.0 114.209 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp 58.33 64.95 1.36 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 122.974 1.369 . . . . 0.0 112.235 173.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.3 m -74.55 160.45 30.87 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.055 0.942 . . . . 0.0 111.66 164.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.46 -52.1 0.84 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -177.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.4 p -59.32 -60.57 3.64 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -61.47 -33.11 73.2 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.277 -1.514 . . . . 0.0 112.501 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -45.17 95.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 O-C-N 121.511 -0.743 . . . . 0.0 111.646 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.9 86.03 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 122.759 1.266 . . . . 0.0 110.843 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' B' ' 79' ' ' TYR . 16.1 t -70.26 -36.33 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 O-C-N 120.848 -1.158 . . . . 0.0 111.87 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.37 -25.56 59.68 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 170.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -75.37 -46.21 34.45 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 171.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.3 mt -52.83 -44.75 66.95 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.631 -1.293 . . . . 0.0 109.816 170.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.564 ' CE2' HG12 ' B' ' 75' ' ' VAL . 36.7 m-85 -53.93 -61.23 2.44 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.696 0.68 . . . . 0.0 111.913 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -75.46 -44.03 46.28 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -166.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -53.31 -40.19 64.6 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 119.949 -1.719 . . . . 0.0 112.389 169.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.0 t -74.9 -4.44 38.02 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.806 -1.184 . . . . 0.0 113.489 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 66.56 48.47 1.48 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 129.548 3.139 . . . . 0.0 112.937 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 mp -114.88 109.11 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 125.555 1.542 . . . . 0.0 109.159 167.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -72.39 142.93 48.72 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.312 166.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 29.4 mm -105.06 129.47 24.76 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 124.795 1.238 . . . . 0.0 110.169 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -78.71 150.94 24.63 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.031 1.82 . . . . 0.0 111.446 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 7.0 m -36.73 -46.0 0.57 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 126.621 1.968 . . . . 0.0 112.157 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.64 -1.06 12.33 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.643 1.577 . . . . 0.0 115.084 -173.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.22 -44.56 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 120.855 -1.153 . . . . 0.0 109.46 158.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 81.6 mt -72.03 -43.13 67.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 124.976 1.31 . . . . 0.0 110.755 -168.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -28.98 -63.99 0.1 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 128.255 2.622 . . . . 0.0 112.362 164.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -65.07 -70.23 0.24 Allowed 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.218 1.807 . . . . 0.0 109.108 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.542 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.0 OUTLIER -53.27 -47.38 69.17 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -163.416 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 49.2 t -48.18 -46.97 13.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 O-C-N 121.227 -0.92 . . . . 0.0 113.339 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -84.21 -40.8 17.66 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.301 1.041 . . . . 0.0 112.138 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -50.37 -45.27 55.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.234 1.414 . . . . 0.0 112.017 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 63.85 61.8 0.94 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 160.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.88 165.4 17.7 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.585 -0.697 . . . . 0.0 111.327 167.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -107.67 5.69 27.05 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.733 1.382 . . . . 0.0 114.733 -160.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 19.8 p -153.88 165.0 37.46 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 120.262 -1.524 . . . . 0.0 114.615 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -46.16 -47.0 17.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.802 2.041 . . . . 0.0 111.236 167.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.49 -45.14 95.49 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 122.029 0.919 . . . . 0.0 111.11 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -67.71 -45.31 75.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.281 -0.887 . . . . 0.0 111.005 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.408 HG23 HG21 ' B' ' 75' ' ' VAL . 19.7 m -70.2 -34.0 57.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.342 0 O-C-N 121.567 -0.708 . . . . 0.0 111.233 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 pp -67.39 -36.99 82.44 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.899 1.681 . . . . 0.0 112.352 172.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.12 -57.22 13.42 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 122.365 1.079 . . . . 0.0 110.337 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' TYR . . . . . 0.542 ' CD2' HD23 ' B' ' 94' ' ' LEU . 55.7 t80 -60.16 -55.01 39.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.646 1.178 . . . . 0.0 112.598 -176.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.438 HG21 ' CE2' ' B' ' 79' ' ' TYR . 86.8 mt -50.88 -46.91 30.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 O-C-N 121.343 -0.848 . . . . 0.0 111.186 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -61.33 -39.58 91.07 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.667 1.121 . . . . 0.0 112.518 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 25.6 m -59.04 -58.4 8.8 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.823 0.849 . . . . 0.0 112.3 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -61.34 -31.47 71.34 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.796 -1.19 . . . . 0.0 112.418 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -71.17 -20.6 62.27 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.151 1.38 . . . . 0.0 111.981 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 98.5 m -78.65 -43.89 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 119.928 -1.732 . . . . 0.0 112.162 168.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -46.09 -66.71 0.36 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.507 0.594 . . . . 0.0 110.444 159.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -56.85 -38.4 72.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.274 0.0 OUTLIER -58.92 -47.9 83.39 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.381 -1.45 . . . . 0.0 112.379 170.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.96 -43.69 95.03 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.383 0.992 . . . . 0.0 111.801 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.42 -39.71 84.34 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.733 -1.229 . . . . 0.0 111.881 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -71.7 -18.99 62.13 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.323 -1.485 . . . . 0.0 114.14 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -79.37 -32.26 43.09 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.673 1.589 . . . . 0.0 112.212 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -48.5 128.63 15.15 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.418 -0.801 . . . . 0.0 112.921 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 138.82 55.09 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.708 1.203 . . . . 0.0 113.924 174.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.732 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -113.77 100.57 8.56 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.052 0.842 . . . . 0.0 109.96 149.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -67.36 27.25 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.964 2.106 . . . . 0.0 115.913 -171.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 69.98 -53.09 0.63 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.78 2.032 . . . . 0.0 114.196 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.6 28.99 66.35 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 -165.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 40.0 m 46.81 -121.63 1.18 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.71 1.204 . . . . 0.0 112.683 -176.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 65.2 mt -82.51 66.34 8.06 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.859 0.864 . . . . 0.0 112.194 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.24 0.555 0 C-N-CA 124.789 1.235 . . . . 0.0 110.551 168.503 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.7 ttt -81.94 97.2 7.95 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.966 0.507 . . . . 0.0 110.186 172.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' CG ' ' HZ2' ' A' ' 64' ' ' LYS . 30.7 t70 -9.2 102.63 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 128.44 2.696 . . . . 0.0 114.988 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HZ2' ' CG ' ' A' ' 63' ' ' ASP 0.321 0.0 OUTLIER 26.4 44.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 118.494 2.775 . . . . 0.0 118.494 -172.668 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.3 m -73.55 78.05 1.46 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.546 -1.346 . . . . 0.0 112.354 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.59 57.1 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 127.166 2.186 . . . . 0.0 114.797 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.28 64.52 4.2 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 119.611 -1.931 . . . . 0.0 111.87 177.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.527 ' HB3' HG22 ' A' ' 73' ' ' VAL . 71.4 mt -69.16 116.12 9.24 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.943 1.297 . . . . 0.0 111.937 177.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 73' ' ' VAL . 52.9 p -110.45 171.95 7.16 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.374 1.469 . . . . 0.0 112.093 167.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -28.59 -66.62 0.08 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -159.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.5 p -63.8 -54.08 40.84 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -173.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' CD ' HH12 ' A' ' 98' ' ' ARG . 22.7 pm0 -60.37 -34.91 74.55 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.145 -1.597 . . . . 0.0 113.093 172.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 68' ' ' LEU . 42.4 t -59.8 -47.82 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 120.475 -1.39 . . . . 0.0 110.486 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.61 93.78 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.252 1.025 . . . . 0.0 111.607 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.1 t -68.12 -38.3 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 O-C-N 120.627 -1.295 . . . . 0.0 112.012 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -41.0 79.43 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.887 0.875 . . . . 0.0 112.48 168.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.54 -48.41 81.16 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.581 -0.699 . . . . 0.0 110.032 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -55.45 -43.4 75.39 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.055 -1.028 . . . . 0.0 111.798 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CD1' HD22 ' B' ' 124' ' ' LEU . 25.7 m-85 -53.14 -51.73 61.02 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 120.601 -1.312 . . . . 0.0 112.692 171.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.06 -31.46 25.35 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.458 1.026 . . . . 0.0 113.621 -167.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -49.89 -32.51 14.73 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.735 -1.228 . . . . 0.0 111.601 154.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -89.48 -8.74 52.25 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 173.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . 0.338 0.2 OUTLIER 54.94 50.41 15.6 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 131.401 3.88 . . . . 0.0 116.443 -163.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -116.62 73.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 120.103 -1.623 . . . . 0.0 112.144 -173.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -61.65 133.91 56.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.61 0.719 . . . . 0.0 112.094 -165.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.4 HD13 ' NH1' ' A' ' 113' ' ' ARG . 26.2 mm -85.24 125.55 69.73 Favored Pre-proline 0 CA--C 1.548 0.898 0 O-C-N 120.536 -1.353 . . . . 0.0 111.056 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.98 135.54 25.57 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.007 1.804 . . . . 0.0 109.13 171.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -40.35 -52.61 2.69 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 128.302 2.641 . . . . 0.0 113.113 -174.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -38.76 -47.23 1.36 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.2 mm -52.03 -55.62 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 121.334 -0.854 . . . . 0.0 111.079 173.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.36 -50.8 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.883 0.849 . . . . 0.0 110.518 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -51.86 -29.28 19.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.268 3.027 . . . . 0.0 112.912 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -83.87 -65.76 0.97 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.643 1.577 . . . . 0.0 112.469 166.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -48.29 -47.47 36.38 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.227 2.611 . . . . 0.0 112.858 -169.527 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 51.5 t -47.12 -42.66 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.281 1.032 . . . . 0.0 113.347 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -70.96 -50.33 35.75 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.262 -0.899 . . . . 0.0 111.749 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -77.37 69.87 3.68 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 122.337 1.065 . . . . 0.0 111.223 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.486 HH12 ' CD ' ' A' ' 72' ' ' GLU . 8.8 tpm_? -49.56 77.76 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.591 2.356 . . . . 0.0 114.699 -178.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.65 160.85 21.76 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.256 -0.903 . . . . 0.0 110.498 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -81.16 -62.08 1.76 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.574 1.149 . . . . 0.0 110.82 -171.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 t -102.63 153.66 19.89 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -166.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 29.4 mp0 -35.43 -51.59 0.61 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 128.018 2.527 . . . . 0.0 110.776 157.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -61.25 -40.81 95.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.112 -0.993 . . . . 0.0 112.009 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -72.05 -48.0 47.6 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.945 0.898 . . . . 0.0 111.379 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.3 m -63.78 -40.04 87.61 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 O-C-N 121.405 -0.809 . . . . 0.0 110.214 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.252 1.5 pp -67.2 -37.69 84.08 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 118.581 -1.248 . . . . 0.0 111.586 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -55.01 -57.52 11.37 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.516 -1.365 . . . . 0.0 111.943 170.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.403 ' CD2' HD23 ' A' ' 94' ' ' LEU . 82.4 t80 -53.67 -58.08 8.5 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.72 0.808 . . . . 0.0 111.596 177.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.407 HG21 ' CE2' ' A' ' 79' ' ' TYR . 93.0 mt -55.54 -53.65 34.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.071 0.948 . . . . 0.0 112.083 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -54.58 -48.24 72.36 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.058 -1.027 . . . . 0.0 112.171 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.1 m -56.96 -56.31 23.4 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.824 0.45 . . . . 0.0 111.639 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -66.65 -37.43 84.8 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.685 -0.634 . . . . 0.0 112.148 -174.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.4 ' NH1' HD13 ' A' ' 86' ' ' ILE . 5.0 ptm85 -66.57 -25.92 66.87 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.61 -1.931 . . . . 0.0 111.702 172.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 m -70.74 -39.18 73.47 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.887 -1.133 . . . . 0.0 113.809 165.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -57.07 7.45 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.97 1.259 . . . . 0.0 110.66 163.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -52.15 -44.94 64.81 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -49.71 -48.87 49.58 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.47 -1.394 . . . . 0.0 111.511 172.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.2 -46.27 91.16 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -51.61 -36.39 45.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.251 -1.531 . . . . 0.0 112.721 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -82.13 -0.54 45.27 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.573 -1.329 . . . . 0.0 113.648 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -112.23 -42.25 3.76 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.25 2.22 . . . . 0.0 112.75 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -50.0 154.42 1.12 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -174.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.58 132.99 55.44 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.044 1.737 . . . . 0.0 115.153 -176.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -125.35 130.17 51.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.96 0.904 . . . . 0.0 109.045 156.032 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.61 -1.7 11.96 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 63.99 -67.15 0.11 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.575 1.95 . . . . 0.0 114.561 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.97 -74.04 0.12 Allowed Glycine 0 CA--C 1.539 1.55 0 CA-C-N 119.05 0.841 . . . . 0.0 114.753 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 87.0 p -75.48 61.91 1.33 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.336 1.455 . . . . 0.0 113.543 -172.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -66.42 165.38 14.39 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.242 -0.911 . . . . 0.0 111.982 168.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 45.1 tptt . . . . . 0 CA--C 1.543 0.689 0 O-C-N 120.949 -1.094 . . . . 0.0 113.553 -175.018 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.455 ' HE2' ' CD ' ' B' ' 102' ' ' GLU . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 41.9 ttp -67.6 155.06 40.04 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.95 155.56 27.01 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.144 0.978 . . . . 0.0 111.376 164.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -123.0 59.89 1.05 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.833 1.253 . . . . 0.0 110.414 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 8.3 m 56.58 49.48 14.58 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.761 1.624 . . . . 0.0 110.049 -176.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.392 0.8 OUTLIER 52.99 -66.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 129.02 2.928 . . . . 0.0 116.455 -172.097 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -40.95 88.18 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.211 2.204 . . . . 0.0 115.832 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp 55.75 85.87 0.07 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 122.479 1.133 . . . . 0.0 112.094 -173.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 6.6 m -105.21 179.14 4.36 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.501 1.921 . . . . 0.0 111.235 170.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.95 -68.2 0.15 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -169.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 2.4 p -58.35 -57.15 14.19 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -175.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -60.27 -39.38 86.62 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.829 -1.169 . . . . 0.0 112.077 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.73 -48.13 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.414 -0.804 . . . . 0.0 111.372 173.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.51 -49.12 78.55 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.597 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.486 HG12 ' CE2' ' B' ' 79' ' ' TYR . 14.2 t -69.77 -31.48 48.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 O-C-N 121.239 -0.913 . . . . 0.0 111.623 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.34 -32.3 69.98 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 167.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.92 -50.01 58.56 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 170.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.08 -40.22 67.04 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.276 -1.515 . . . . 0.0 111.52 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.614 ' CE1' HD12 ' A' ' 124' ' ' LEU . 24.8 m-85 -52.12 -66.0 0.46 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.361 0.982 . . . . 0.0 113.377 168.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -77.32 -32.28 55.14 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.696 1.134 . . . . 0.0 113.222 -168.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -56.66 -40.8 76.14 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.151 -1.593 . . . . 0.0 110.952 162.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -78.94 1.66 22.93 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.867 -1.146 . . . . 0.0 113.828 170.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.78 32.46 2.47 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.277 2.231 . . . . 0.0 111.761 170.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.1 mt -106.73 120.8 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 126.716 2.007 . . . . 0.0 111.069 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -75.26 152.71 38.24 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 118.856 -1.138 . . . . 0.0 112.232 162.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 34.4 mm -114.27 126.76 27.58 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.674 1.99 . . . . 0.0 109.767 170.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.6 138.63 67.02 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.521 2.148 . . . . 0.0 112.834 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.2 -49.36 12.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.926 0.89 . . . . 0.0 111.856 173.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.69 -46.99 5.27 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.26 -57.02 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 121.339 -0.85 . . . . 0.0 109.274 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.96 -45.4 87.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.396 0.678 . . . . 0.0 110.727 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -49.01 -57.23 6.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.712 1.605 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -72.26 -55.79 6.6 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.469 -0.769 . . . . 0.0 111.854 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.402 HD23 ' CD1' ' B' ' 108' ' ' TYR . 0.8 OUTLIER -43.55 -46.36 7.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.797 1.639 . . . . 0.0 112.973 -177.664 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 51.0 t -54.61 -64.87 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 123.244 0.617 . . . . 0.0 111.92 168.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -35.12 65.67 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -174.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -61.18 -24.21 66.15 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 46.73 63.61 1.85 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 122.868 1.318 . . . . 0.0 112.989 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 32.6 mt -67.34 160.69 26.73 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.946 -1.096 . . . . 0.0 111.982 172.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -84.14 -48.35 9.93 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.324 1.05 . . . . 0.0 112.838 -157.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 46.4 p -145.61 174.36 11.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.283 1.039 . . . . 0.0 113.693 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.455 ' CD ' ' HE2' ' B' ' 61' ' ' HIS . 48.6 mp0 -38.31 -43.72 0.83 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 130.378 3.471 . . . . 0.0 112.569 175.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -60.71 -50.22 74.35 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.399 -0.813 . . . . 0.0 111.856 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -68.95 -37.65 78.98 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.281 -0.887 . . . . 0.0 112.312 -177.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.03 -44.37 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.563 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.4 pp -64.32 -36.23 83.45 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.16 1.345 . . . . 0.0 111.685 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -57.28 -62.17 1.95 Allowed 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.034 -1.041 . . . . 0.0 111.309 172.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' TYR . . . . . 0.402 ' CD1' HD23 ' B' ' 94' ' ' LEU . 26.4 t80 -51.98 -56.28 15.22 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.456 0.702 . . . . 0.0 110.733 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.1 mt -57.05 -58.1 7.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 C-N-CA 122.77 0.428 . . . . 0.0 110.238 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.03 -37.56 69.37 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.71 -1.244 . . . . 0.0 112.715 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 64.9 m -63.05 -59.38 4.88 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.647 -0.658 . . . . 0.0 112.457 172.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -67.68 -34.79 77.61 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 122.267 1.032 . . . . 0.0 111.802 -174.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -54.01 -43.87 70.44 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.814 1.646 . . . . 0.0 111.122 165.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.262 53.3 m -64.57 -44.61 90.16 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 119.894 -1.754 . . . . 0.0 113.579 174.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -46.46 -58.08 4.09 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.553 0.615 . . . . 0.0 111.256 162.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -50.8 -48.45 59.57 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -57.51 -41.67 81.26 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.398 -1.439 . . . . 0.0 113.089 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.15 -45.21 74.17 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.256 0.934 . . . . 0.0 112.569 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -49.74 -34.11 18.09 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.267 -1.521 . . . . 0.0 112.249 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -90.02 20.94 3.93 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 120.323 -1.485 . . . . 0.0 112.668 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -121.86 -25.14 5.07 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.683 1.993 . . . . 0.0 113.311 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -75.2 58.09 0.9 Allowed 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -164.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.97 92.11 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.871 2.915 . . . . 0.0 118.871 162.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.534 HD22 ' CD1' ' A' ' 79' ' ' TYR . 20.7 tp -88.81 114.32 25.31 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 119.789 -1.819 . . . . 0.0 112.717 165.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -81.66 -36.9 28.28 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.443 1.497 . . . . 0.0 113.826 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 36.42 47.11 0.47 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.691 1.996 . . . . 0.0 116.331 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 49.59 32.26 16.1 Favored Glycine 0 CA--C 1.543 1.786 0 N-CA-C 114.658 0.623 . . . . 0.0 114.658 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . 0.283 11.4 p 87.07 -89.02 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.05 2.54 . . . . 0.0 112.906 -170.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.2 mp 36.34 91.68 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.684 2.394 . . . . 0.0 115.233 174.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? . . . . . 0 CA--C 1.536 0.435 0 O-C-N 120.748 -1.22 . . . . 0.0 111.499 167.529 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.05 76.07 1.34 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.041 1.736 . . . . 0.0 112.839 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -68.78 57.82 0.09 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.648 1.979 . . . . 0.0 113.901 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.3 169.67 16.87 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.691 -1.256 . . . . 0.0 113.188 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.5 p -67.5 109.98 3.45 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.087 0.955 . . . . 0.0 111.77 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.17 50.82 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 125.75 1.62 . . . . 0.0 114.133 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.34 57.83 3.38 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 119.452 -2.03 . . . . 0.0 110.186 176.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.3 mt -118.35 101.87 8.52 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.697 1.199 . . . . 0.0 112.059 -165.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -70.34 -179.25 1.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.632 0.729 . . . . 0.0 111.409 162.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.74 30.81 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -162.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -64.27 -46.56 83.14 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.426 -1.421 . . . . 0.0 112.789 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -68.73 -32.09 71.63 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.574 -1.329 . . . . 0.0 113.005 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -45.22 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 119.648 -1.908 . . . . 0.0 111.427 171.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.46 -30.07 69.69 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.984 0.897 . . . . 0.0 112.315 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -42.48 40.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 120.326 -1.483 . . . . 0.0 112.12 173.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.01 -36.61 8.03 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.29 -0.881 . . . . 0.0 112.381 162.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . 0.259 0.0 OUTLIER -66.62 -46.42 75.92 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.506 -0.746 . . . . 0.0 110.872 173.322 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.07 -42.84 63.5 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.504 -1.372 . . . . 0.0 111.145 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.627 ' CE1' HD12 ' B' ' 124' ' ' LEU . 52.8 m-85 -61.77 -58.96 5.98 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 172.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.33 -27.7 42.1 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.369 1.44 . . . . 0.0 114.067 -170.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.49 -18.86 54.44 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.218 -1.551 . . . . 0.0 112.141 158.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -100.22 7.66 44.32 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.434 -1.416 . . . . 0.0 114.582 164.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 p30 47.95 32.53 2.87 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 129.749 3.22 . . . . 0.0 115.665 -170.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.5 mt -87.48 117.98 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 125.183 1.393 . . . . 0.0 111.435 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -71.74 139.03 48.92 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.136 -0.977 . . . . 0.0 110.743 166.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.2 128.9 24.83 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 126.039 1.736 . . . . 0.0 108.876 172.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.19 140.82 71.34 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.28 1.987 . . . . 0.0 113.066 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.8 t -39.82 -47.92 2.18 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.655 1.582 . . . . 0.0 111.568 162.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.42 -47.69 62.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.345 1.058 . . . . 0.0 113.443 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 mm -57.82 -48.17 84.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 120.657 -1.277 . . . . 0.0 109.946 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.1 -45.21 99.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 O-C-N 121.598 -0.689 . . . . 0.0 110.121 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -50.71 -50.76 54.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.225 1.81 . . . . 0.0 112.331 173.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -63.62 -69.2 0.29 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.164 0.985 . . . . 0.0 109.723 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -43.2 69.13 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.792 1.637 . . . . 0.0 113.528 -168.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.85 -33.17 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 O-C-N 120.386 -1.446 . . . . 0.0 112.617 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -54.75 6.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.922 0.889 . . . . 0.0 110.265 165.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 48.54 0.43 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 128.396 2.678 . . . . 0.0 113.316 -174.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.2 ttm105 -73.98 88.28 1.86 Allowed 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.707 -1.245 . . . . 0.0 112.739 -171.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.87 161.4 15.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.136 0.975 . . . . 0.0 110.615 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.18 -62.55 1.59 Allowed 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.815 -1.178 . . . . 0.0 110.429 -158.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.5 t -82.04 148.54 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.088 0.955 . . . . 0.0 112.591 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -39.24 -40.82 0.8 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.13 0.972 . . . . 0.0 112.59 159.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -58.15 -53.22 60.68 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.464 0.65 . . . . 0.0 111.108 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.93 -50.4 73.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.745 -0.597 . . . . 0.0 110.869 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.1 m -62.52 -37.93 80.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.919 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.291 0.9 OUTLIER -68.14 -36.46 79.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 120.457 1.48 . . . . 0.0 112.806 174.861 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.14 -55.67 29.68 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.796 0.808 . . . . 0.0 110.178 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.9 -51.94 67.54 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.834 0.854 . . . . 0.0 112.154 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -53.5 -52.98 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 O-C-N 121.441 -0.787 . . . . 0.0 110.588 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.9 -38.37 67.52 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.857 -1.152 . . . . 0.0 112.096 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.9 m -61.77 -59.19 5.53 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.585 -0.697 . . . . 0.0 112.509 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.41 -36.63 78.6 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 120.635 -1.291 . . . . 0.0 111.795 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -60.14 -30.54 69.36 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 119.914 -1.741 . . . . 0.0 111.99 169.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.2 m -75.7 -40.36 55.94 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.741 -1.224 . . . . 0.0 113.03 172.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -46.87 -54.38 10.06 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.142 0.883 . . . . 0.0 110.382 159.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -54.71 -43.53 72.64 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 175.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -48.29 -53.63 16.61 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.458 1.481 . . . . 0.0 111.049 170.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.92 -51.41 70.14 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.85 -0.531 . . . . 0.0 112.234 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -63.95 -14.42 53.64 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.801 -1.187 . . . . 0.0 113.942 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.3 -18.97 22.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 119.74 -1.85 . . . . 0.0 114.154 167.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -89.14 -47.19 8.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.963 2.105 . . . . 0.0 113.029 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -53.1 150.58 5.65 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -170.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.48 136.18 45.88 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.384 1.874 . . . . 0.0 115.385 -171.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.3 tp -126.24 125.63 42.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.021 1.328 . . . . 0.0 110.198 160.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.11 34.6 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.703 1.601 . . . . 0.0 114.952 177.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 61.72 -78.65 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.613 1.965 . . . . 0.0 113.227 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.71 78.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -163.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.7 m 45.14 32.86 0.99 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.521 1.528 . . . . 0.0 114.527 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 37.24 49.01 0.85 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.09 1.756 . . . . 0.0 113.768 -172.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 82.1 tttt . . . . . 0 CA--C 1.538 0.505 0 O-C-N 120.96 -1.087 . . . . 0.0 111.8 -174.796 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 31.1 ttp -81.29 59.09 3.82 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.72 1.146 . . . . 0.0 111.467 -178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -159.78 -160.03 0.78 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.869 1.668 . . . . 0.0 110.307 -175.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -42.71 111.4 0.25 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.358 1.863 . . . . 0.0 113.428 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 75.1 p -77.92 69.37 4.14 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.824 -1.172 . . . . 0.0 112.972 -169.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.1 161.39 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 163.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.78 69.68 0.68 Allowed 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.601 -1.312 . . . . 0.0 113.732 -173.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.2 99.08 0.86 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.115 1.366 . . . . 0.0 110.885 170.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.6 p -75.55 178.99 5.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.659 0.784 . . . . 0.0 111.158 167.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.69 -54.42 42.06 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -157.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.8 p -62.74 -50.61 70.41 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.874 -1.141 . . . . 0.0 112.917 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 pm0 -63.98 -42.45 97.22 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.536 -1.353 . . . . 0.0 112.476 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -38.16 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 O-C-N 120.029 -1.669 . . . . 0.0 111.952 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.33 -52.93 42.14 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.72 0.772 . . . . 0.0 111.267 175.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.87 -35.95 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 120.933 -1.104 . . . . 0.0 111.485 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -41.71 76.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.428 1.091 . . . . 0.0 112.387 169.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.46 -51.73 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.481 -0.762 . . . . 0.0 109.686 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.8 mt -49.49 -43.46 45.28 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.389 -0.819 . . . . 0.0 112.941 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -53.27 -53.3 52.85 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.069 1.304 . . . . 0.0 112.502 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.67 -43.56 96.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.562 0.745 . . . . 0.0 111.695 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -53.83 -40.55 66.52 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.376 1.084 . . . . 0.0 110.758 167.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -8.1 54.45 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 173.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 66.3 56.22 0.81 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 128.058 2.543 . . . . 0.0 112.674 -171.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.5 mt -126.31 119.88 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.764 1.226 . . . . 0.0 110.912 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -75.89 138.97 41.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.285 161.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 mm -95.43 130.47 32.06 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 125.205 1.402 . . . . 0.0 110.086 170.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.91 131.67 43.48 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.561 2.174 . . . . 0.0 111.415 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.0 m -45.42 -46.04 13.17 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.183 1.393 . . . . 0.0 112.064 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -43.09 -43.24 4.33 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.2 mm -56.98 -54.88 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 O-C-N 120.607 -1.308 . . . . 0.0 109.883 173.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.16 -42.23 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 123.942 0.897 . . . . 0.0 111.449 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -52.13 -53.1 46.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.413 1.885 . . . . 0.0 112.158 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -68.67 -63.56 1.04 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.926 1.691 . . . . 0.0 112.274 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.05 -48.07 11.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.534 2.334 . . . . 0.0 113.878 -164.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 94.1 t -54.03 -37.95 36.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 O-C-N 121.422 -0.798 . . . . 0.0 112.948 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -74.08 -44.83 52.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.065 0.946 . . . . 0.0 111.869 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -52.87 -38.21 61.31 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.048 0.928 . . . . 0.0 110.935 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? 62.5 43.09 8.09 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.992 1.317 . . . . 0.0 114.228 161.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.16 160.66 17.9 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.391 -0.818 . . . . 0.0 112.223 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -82.52 -63.63 1.33 Allowed 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.294 -0.879 . . . . 0.0 111.212 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 25.2 p -104.66 164.88 11.44 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -169.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -50.0 -41.42 47.06 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.181 1.792 . . . . 0.0 111.449 172.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -62.12 -43.67 98.31 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.401 -0.812 . . . . 0.0 112.135 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.06 -50.36 62.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.751 -0.593 . . . . 0.0 110.796 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 17.9 m -63.19 -42.08 95.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.788 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.07 -41.58 97.28 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.106 1.321 . . . . 0.0 111.712 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . 0.285 5.9 p30 -73.96 -43.16 59.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.969 1.259 . . . . 0.0 113.09 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -60.01 -51.85 67.91 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.422 -0.799 . . . . 0.0 111.717 172.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 77.3 mt -51.88 -53.25 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 O-C-N 121.39 -0.819 . . . . 0.0 109.966 176.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.19 -36.57 70.98 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.082 -1.011 . . . . 0.0 112.93 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 67.6 m -61.52 -56.75 16.59 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.253 -0.904 . . . . 0.0 112.177 171.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.72 -34.34 72.79 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.823 -1.173 . . . . 0.0 112.274 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -68.55 -20.89 64.56 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.509 1.923 . . . . 0.0 111.902 172.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.29 76.8 m -80.03 -47.44 14.9 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 119.069 -2.269 . . . . 0.0 112.674 170.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -47.57 -51.62 20.36 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.331 0.514 . . . . 0.0 112.078 161.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -56.61 -49.85 73.71 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.301 13.0 pttm -52.98 -42.43 65.53 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 121.142 1.792 . . . . 0.0 113.228 170.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.88 -47.32 83.09 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.871 1.214 . . . . 0.0 112.469 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -62.49 -30.22 71.11 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.03 -1.669 . . . . 0.0 113.474 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -73.72 -20.46 60.51 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 119.425 -2.047 . . . . 0.0 113.092 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -94.52 -51.4 4.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.702 2.401 . . . . 0.0 113.449 -175.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -41.91 139.64 1.23 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.096 1.758 . . . . 0.0 115.699 -168.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 127.11 22.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.901 1.281 . . . . 0.0 114.426 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' A' ' 79' ' ' TYR . 1.1 tt -111.37 111.19 22.06 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 158.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.41 1.21 3.17 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -171.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.437 ' NH2' HD13 ' B' ' 124' ' ' LEU . 11.9 mmp_? 70.57 -50.59 0.66 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.239 1.816 . . . . 0.0 113.863 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 73.71 -165.53 54.78 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 123.61 0.624 . . . . 0.0 112.168 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.4 m -71.81 59.72 0.35 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.009 1.324 . . . . 0.0 113.266 -176.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 43.7 mt 49.07 40.42 17.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.992 1.317 . . . . 0.0 112.701 -169.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 65.8 tttm . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 123.516 0.726 . . . . 0.0 111.79 -179.748 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 119.685 -0.198 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 14.4 mmt -101.92 81.89 2.18 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.916 0.886 . . . . 0.0 111.987 -175.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.84 62.88 0.29 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.587 1.155 . . . . 0.0 111.756 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HZ2' ' CD ' ' A' ' 92' ' ' GLU . 1.4 tmtp? -141.45 120.41 12.79 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.719 1.208 . . . . 0.0 112.243 -162.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.1 m -48.47 111.21 0.42 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.975 1.31 . . . . 0.0 113.727 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.5 t -72.24 69.9 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 124.713 1.205 . . . . 0.0 111.83 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.03 64.47 3.96 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.735 -1.228 . . . . 0.0 111.755 -178.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.77 102.02 0.54 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.717 0.77 . . . . 0.0 112.597 176.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -62.39 163.11 9.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.6 1.96 . . . . 0.0 111.347 170.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.28 -52.79 41.86 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -169.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.3 p -62.51 -48.06 81.21 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.444 -1.41 . . . . 0.0 113.372 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -63.29 -44.85 93.86 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.038 -1.039 . . . . 0.0 111.913 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -44.12 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 120.699 -1.25 . . . . 0.0 111.549 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.43 86.36 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.038 0.923 . . . . 0.0 111.557 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.8 t -74.65 -39.38 46.69 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 O-C-N 120.907 -1.12 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -40.85 29.66 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.121 -0.987 . . . . 0.0 113.068 161.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.53 -49.73 45.14 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.786 -0.571 . . . . 0.0 109.862 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.7 mt -50.64 -44.19 57.3 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.751 -1.218 . . . . 0.0 112.081 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -51.1 -52.81 40.01 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.087 -1.008 . . . . 0.0 112.601 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -76.76 -26.7 54.83 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 120.273 1.397 . . . . 0.0 114.247 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -56.57 -25.88 53.7 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 119.601 -1.937 . . . . 0.0 111.712 158.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.43 3.67 55.0 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 170.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 37.83 67.75 0.36 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.212 2.605 . . . . 0.0 115.395 -156.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.2 mt -121.32 110.93 29.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 125.063 1.345 . . . . 0.0 111.022 170.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -72.97 148.39 44.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 120.024 -0.67 . . . . 0.0 109.58 166.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mm -114.3 126.05 28.47 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 124.774 1.23 . . . . 0.0 109.734 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.76 130.04 37.82 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.247 1.965 . . . . 0.0 111.153 172.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 m -44.49 -38.94 4.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.462 1.105 . . . . 0.0 113.639 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.46 -43.94 17.02 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 171.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.9 mm -56.09 -55.38 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.137 -0.977 . . . . 0.0 109.922 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.35 -41.93 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 124.219 1.007 . . . . 0.0 111.051 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.526 ' CD ' ' HZ2' ' A' ' 64' ' ' LYS . 20.3 tp10 -46.34 -59.13 3.13 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.065 1.346 . . . . 0.0 111.456 172.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -71.21 -49.72 40.57 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.741 0.817 . . . . 0.0 112.232 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -47.16 -54.08 11.51 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.216 -0.928 . . . . 0.0 111.526 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.6 t -59.48 -34.84 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 174.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -58.73 -46.6 87.03 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 120.026 -1.671 . . . . 0.0 111.764 169.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -81.73 -68.48 0.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 63.22 89.62 0.09 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 128.563 2.745 . . . . 0.0 112.062 -168.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.88 175.47 8.02 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.47 0.653 . . . . 0.0 112.595 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -58.17 -39.9 80.06 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.341 -0.849 . . . . 0.0 112.945 -163.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 p -169.29 174.91 5.84 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.125 0.97 . . . . 0.0 112.082 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 3.1 mp0 -35.58 -54.54 0.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 129.527 3.131 . . . . 0.0 113.204 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.55 -43.44 98.8 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.349 -0.844 . . . . 0.0 111.838 -178.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.26 -39.45 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.447 -0.783 . . . . 0.0 112.298 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.05 -48.98 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.963 172.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 4.0 pp -61.69 -35.26 77.49 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.632 -1.292 . . . . 0.0 112.872 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -55.98 -59.51 4.8 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.62 -1.3 . . . . 0.0 111.561 170.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.56 -52.98 63.19 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.229 1.012 . . . . 0.0 111.462 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.8 mt -53.16 -51.89 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.839 0.856 . . . . 0.0 111.188 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.96 -38.87 73.58 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.305 -1.497 . . . . 0.0 112.251 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.4 m -58.72 -59.04 6.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.384 0.674 . . . . 0.0 111.563 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.36 -34.67 69.06 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.92 -1.112 . . . . 0.0 113.641 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -72.01 -22.18 61.45 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.255 1.822 . . . . 0.0 111.512 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.261 99.4 m -79.64 -41.67 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 119.7 -1.875 . . . . 0.0 112.359 169.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -48.08 -59.82 3.09 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.579 0.627 . . . . 0.0 111.106 158.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -51.73 -46.22 63.92 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.252 14.1 pttm -60.12 -48.24 82.55 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.4 -1.437 . . . . 0.0 114.121 169.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.15 -46.97 84.7 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.482 1.492 . . . . 0.0 112.838 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -44.28 -54.6 5.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.844 1.658 . . . . 0.0 111.152 164.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -66.02 -26.99 67.78 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.215 -1.553 . . . . 0.0 113.707 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -69.99 -19.67 63.33 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.755 1.622 . . . . 0.0 112.915 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -56.04 130.07 42.47 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.898 -1.126 . . . . 0.0 113.219 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 141.94 22.15 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 170.304 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.682 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.1 OUTLIER -127.6 122.39 33.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.521 1.528 . . . . 0.0 109.064 155.137 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -72.01 24.41 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? 65.88 -62.73 0.24 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.327 1.851 . . . . 0.0 114.311 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 71.25 -81.24 0.48 Allowed Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.171 -0.956 . . . . 0.0 112.517 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.9 t -76.99 116.84 18.01 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.093 0.946 . . . . 0.0 110.925 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 90.4 mt -126.46 66.21 1.24 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.048 1.339 . . . . 0.0 110.368 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? . . . . . 0 CA--C 1.541 0.628 0 O-C-N 120.609 -1.307 . . . . 0.0 111.857 -171.887 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.408 ' CE1' ' SG ' ' B' ' 71' ' ' CYS . 6.5 t-160 . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.734 0.302 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 91.5 mtp -58.82 133.1 55.69 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.023 0.529 . . . . 0.0 111.192 172.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -115.02 112.11 22.15 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -169.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -74.44 69.19 1.64 Allowed 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.972 -1.08 . . . . 0.0 109.135 156.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 25.7 m -42.18 -31.33 0.37 Allowed 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 117.502 2.408 . . . . 0.0 117.502 -164.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.1 t -63.74 79.55 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 121.139 -0.976 . . . . 0.0 110.765 165.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.6 t30 55.69 118.03 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 128.485 2.714 . . . . 0.0 116.162 166.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.42 ' HB3' HG22 ' B' ' 73' ' ' VAL . 96.4 mt 68.68 101.21 0.06 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 174.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 47.7 m -122.94 -168.25 1.72 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.696 1.998 . . . . 0.0 112.272 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.72 -74.12 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 -157.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.408 ' SG ' ' CE1' ' B' ' 61' ' ' HIS . 14.6 p -64.58 -43.67 93.12 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 -65.93 -35.66 81.21 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.023 -1.048 . . . . 0.0 112.626 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' B' ' 68' ' ' LEU . 76.7 t -64.96 -49.69 78.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.194 -0.941 . . . . 0.0 110.94 172.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.93 82.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 122.401 1.096 . . . . 0.0 111.097 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.47 -33.02 60.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.082 -1.011 . . . . 0.0 111.837 175.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.67 -29.24 69.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 168.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -78.04 -45.35 23.87 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.796 -0.565 . . . . 0.0 110.199 172.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 46.5 mt -50.7 -41.27 55.8 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 119.257 -2.152 . . . . 0.0 111.03 169.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.682 ' CE1' HD12 ' A' ' 124' ' ' LEU . 16.1 m-85 -58.22 -58.04 10.24 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 120.935 -1.103 . . . . 0.0 113.798 166.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -78.57 -32.94 47.95 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 120.137 1.335 . . . . 0.0 113.51 -165.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -43.96 -47.63 8.56 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.03 -1.669 . . . . 0.0 111.009 154.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -79.79 3.2 20.26 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.075 1.35 . . . . 0.0 113.0 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 42.05 58.06 3.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.43 3.092 . . . . 0.0 115.072 -164.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.53 HG23 ' NH2' ' B' ' 113' ' ' ARG . 21.3 mt -108.24 112.46 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.556 1.143 . . . . 0.0 111.663 170.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 50.6 ttp85 -86.81 115.27 24.12 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.162 -0.961 . . . . 0.0 109.796 166.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.35 132.91 89.45 Favored Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 120.548 -1.345 . . . . 0.0 111.45 173.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.53 135.88 29.65 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.844 1.696 . . . . 0.0 109.324 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 33.6 p -49.41 -38.62 29.65 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.595 1.958 . . . . 0.0 114.548 -171.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -44.19 -51.47 8.14 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.492 1.117 . . . . 0.0 113.162 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 mm -48.81 -52.31 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 121.982 0.896 . . . . 0.0 110.459 172.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -65.8 -42.54 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.65 -171.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -48.25 -70.24 0.1 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.506 0.593 . . . . 0.0 110.867 169.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -53.03 -51.82 60.46 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 122.682 1.229 . . . . 0.0 110.388 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' B' ' 108' ' ' TYR . 0.7 OUTLIER -58.79 -43.73 90.53 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.32 -0.863 . . . . 0.0 112.944 -178.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.5 t -58.06 -35.79 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 121.156 -0.965 . . . . 0.0 112.703 171.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -66.38 -63.86 0.98 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.33 0.968 . . . . 0.0 112.407 169.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -65.96 -43.57 87.53 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.221 -0.925 . . . . 0.0 112.893 -171.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 57.15 72.47 0.51 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 168.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.23 171.7 1.28 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.799 1.285 . . . . 0.0 114.339 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.86 -66.12 0.59 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 120.743 -1.223 . . . . 0.0 110.344 -164.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.37 173.46 11.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.177 0.991 . . . . 0.0 113.046 -167.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.3 mp0 -44.65 -54.64 5.96 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 127.502 2.321 . . . . 0.0 112.499 -170.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.6 -39.88 77.86 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.502 -0.749 . . . . 0.0 111.617 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -69.32 -50.82 43.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.843 -0.536 . . . . 0.0 111.342 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 34.7 m -64.06 -37.45 79.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 C-N-CA 119.18 -1.008 . . . . 0.0 111.035 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.74 -39.36 76.82 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.358 1.436 . . . . 0.0 112.578 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -46.28 84.74 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.375 0.989 . . . . 0.0 111.176 175.448 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' TYR . . . . . 0.404 ' CD1' HD23 ' B' ' 94' ' ' LEU . 57.4 t80 -58.64 -55.62 32.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.476 0.71 . . . . 0.0 112.122 175.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.8 mt -51.12 -54.52 10.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 124.063 0.945 . . . . 0.0 110.86 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -31.56 72.77 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.168 -0.957 . . . . 0.0 111.876 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -61.95 -58.6 7.28 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.091 -1.005 . . . . 0.0 113.142 168.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -57.33 -35.74 70.25 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.397 -1.439 . . . . 0.0 111.212 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.53 ' NH2' HG23 ' B' ' 84' ' ' ILE . 19.8 ttt85 -68.46 -30.59 69.49 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 119.775 -1.828 . . . . 0.0 112.121 174.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.2 m -68.37 -43.61 77.02 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.038 1.335 . . . . 0.0 112.492 168.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -47.84 -53.57 15.15 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.582 0.628 . . . . 0.0 110.15 162.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -54.91 -40.69 70.1 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -50.74 -58.03 6.91 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 120.611 1.55 . . . . 0.0 110.643 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.14 -45.48 91.71 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.863 0.839 . . . . 0.0 111.983 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -53.62 -39.95 65.36 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.8 -1.187 . . . . 0.0 112.083 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -74.29 -17.24 60.88 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.245 -1.534 . . . . 0.0 114.448 172.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -80.8 -38.15 28.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.374 1.87 . . . . 0.0 111.955 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -47.26 149.9 0.95 Allowed 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 134.09 36.36 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.222 1.809 . . . . 0.0 114.738 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 15.7 tp -112.54 119.38 37.98 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.724 0.81 . . . . 0.0 109.243 152.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.44 27.62 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.449 1.899 . . . . 0.0 115.765 -176.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? 63.87 -65.91 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.699 1.999 . . . . 0.0 113.523 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.39 -93.92 0.31 Allowed Glycine 0 CA--C 1.535 1.324 0 CA-C-N 118.438 0.563 . . . . 0.0 112.401 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 49.0 m -73.99 72.22 1.61 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -57.52 147.34 27.08 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.513 -0.742 . . . . 0.0 110.876 157.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 48.3 tttp . . . . . 0 CA--C 1.543 0.677 0 O-C-N 121.13 -0.981 . . . . 0.0 113.161 -167.229 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 13.1 ttt -80.11 41.99 0.54 Allowed 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -68.51 107.41 2.91 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 161.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.7 33.23 4.67 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.857 1.263 . . . . 0.0 111.674 176.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.7 m -80.08 121.27 25.33 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.763 1.225 . . . . 0.0 111.664 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.326 2.8 p 57.49 -45.75 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 130.756 3.622 . . . . 0.0 118.949 172.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.84 166.69 5.32 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -175.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.354 6.8 mp 66.56 47.72 1.6 Allowed 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 122.728 1.252 . . . . 0.0 111.876 -114.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.9 t -83.83 -172.03 3.93 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.702 2.001 . . . . 0.0 111.704 161.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.09 -58.85 5.31 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -170.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.4 p -63.57 -49.35 73.73 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.375 -0.828 . . . . 0.0 113.098 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 pm0 -69.12 -33.21 73.1 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.887 -1.133 . . . . 0.0 112.568 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.37 -48.44 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 120.764 -1.21 . . . . 0.0 111.008 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.4 -39.92 70.77 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.151 0.977 . . . . 0.0 111.237 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.251 8.6 t -71.89 -33.84 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 O-C-N 121.532 -0.73 . . . . 0.0 112.653 176.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.09 -33.64 76.23 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 168.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -70.06 -50.49 40.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.598 -0.689 . . . . 0.0 109.202 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -52.05 -45.15 64.58 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.603 -1.311 . . . . 0.0 111.386 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -49.43 -49.09 46.61 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.077 -1.014 . . . . 0.0 112.798 170.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -83.42 -29.88 27.77 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.12 -17.81 20.86 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 119.198 -2.189 . . . . 0.0 112.174 154.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.83 -1.62 45.76 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 165.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 47.63 59.78 3.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 130.019 3.328 . . . . 0.0 114.508 -164.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.4 mt -112.62 98.39 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 124.389 1.076 . . . . 0.0 111.234 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.2 73.46 7.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.055 176.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.5 mm -32.1 129.15 0.32 Allowed Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 126.665 1.986 . . . . 0.0 113.631 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -71.69 139.11 33.25 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.902 1.735 . . . . 0.0 109.74 170.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.0 p -48.46 -42.14 31.62 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 125.878 1.671 . . . . 0.0 112.905 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.71 -49.54 4.27 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 172.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 mm -49.32 -55.63 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.923 0.868 . . . . 0.0 109.618 172.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.8 mt -64.98 -40.3 88.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.443 0.697 . . . . 0.0 110.708 -174.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.57 -59.28 4.2 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.608 1.563 . . . . 0.0 110.223 177.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.25 -56.45 14.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.294 -0.879 . . . . 0.0 111.712 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -48.13 76.12 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -168.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.25 -31.07 36.8 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.647 1.179 . . . . 0.0 113.256 172.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -51.13 17.15 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.569 -0.707 . . . . 0.0 111.721 171.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -59.75 -52.58 64.89 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.872 0.869 . . . . 0.0 112.905 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 59.78 68.64 0.77 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.778 1.231 . . . . 0.0 113.327 -177.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.02 158.4 13.57 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.908 -0.495 . . . . 0.0 110.56 166.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -79.17 -60.46 2.37 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.015 0.912 . . . . 0.0 111.229 -167.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.5 t -81.42 139.75 35.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.885 0.85 . . . . 0.0 113.268 -171.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -33.42 -49.85 0.3 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.132 1.773 . . . . 0.0 112.08 155.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -68.12 -36.27 79.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.394 -1.441 . . . . 0.0 112.777 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.01 -45.93 76.05 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.496 -0.753 . . . . 0.0 111.629 177.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.3 m -63.16 -43.24 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 118.983 0.81 . . . . 0.0 110.084 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.6 pp -67.32 -37.94 84.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 118.382 -1.327 . . . . 0.0 113.002 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -55.81 -58.37 8.15 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.265 -0.897 . . . . 0.0 111.349 172.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -54.97 -55.19 33.48 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.419 1.087 . . . . 0.0 111.967 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.17 -53.56 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.802 -0.561 . . . . 0.0 111.054 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -52.65 -44.42 66.13 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.645 -1.284 . . . . 0.0 112.357 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 m -56.53 -53.33 58.83 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.45 -0.781 . . . . 0.0 111.889 172.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -66.56 -31.25 71.84 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.867 -1.146 . . . . 0.0 113.858 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -60.57 -28.06 68.17 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 119.967 -1.708 . . . . 0.0 111.364 165.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.32 44.7 m -80.3 -40.07 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 119.866 -1.771 . . . . 0.0 114.297 174.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -47.63 -55.3 9.65 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.28 0.946 . . . . 0.0 110.796 157.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -52.81 -44.07 66.37 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -53.52 -52.14 60.57 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.108 -0.995 . . . . 0.0 112.886 170.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.77 -42.07 98.51 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 121.994 0.902 . . . . 0.0 112.021 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.5 -29.39 69.95 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.202 -1.561 . . . . 0.0 112.895 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -77.79 1.99 18.48 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 119.862 -1.774 . . . . 0.0 113.479 171.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -127.3 -20.49 4.06 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.434 1.894 . . . . 0.0 113.774 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -71.35 35.75 0.05 Allowed 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 118.314 2.709 . . . . 0.0 118.314 -162.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.18 124.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.597 2.359 . . . . 0.0 117.277 168.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.97 124.65 35.59 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.591 1.556 . . . . 0.0 109.785 159.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.59 33.94 0.11 Allowed 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.553 -1.342 . . . . 0.0 114.079 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.453 HH22 ' CD ' ' B' ' 110' ' ' GLU . 0.0 OUTLIER 61.97 -62.36 0.1 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.051 2.14 . . . . 0.0 114.268 -175.245 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.9 -70.71 1.18 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 123.675 0.655 . . . . 0.0 112.177 -174.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 92.3 p -77.51 64.1 2.78 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.009 -1.289 . . . . 0.0 112.275 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.32 75.7 0.25 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.875 0.87 . . . . 0.0 111.439 176.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 CA--C 1.541 0.627 0 O-C-N 120.451 -1.406 . . . . 0.0 111.361 -176.502 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 . . . . . 0 CA--C 1.54 0.59 0 CA-C-O 120.278 0.085 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.6 ttt -96.21 78.78 3.12 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.743 0.817 . . . . 0.0 110.839 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.89 158.55 0.49 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.808 2.043 . . . . 0.0 112.141 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.4 ' HZ2' ' CD ' ' B' ' 92' ' ' GLU . 6.3 mmtm -126.87 138.0 53.25 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -154.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -84.83 59.78 5.78 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.899 2.08 . . . . 0.0 112.209 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 t -74.04 71.54 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 O-C-N 120.486 -1.384 . . . . 0.0 112.674 -174.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -115.66 68.22 0.71 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.939 1.296 . . . . 0.0 113.212 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.9 107.66 1.28 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.063 1.345 . . . . 0.0 113.415 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t -85.1 -175.75 5.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.554 0.742 . . . . 0.0 111.449 163.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -61.77 2.1 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -158.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 7.9 p -57.65 -45.96 84.81 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.421 -1.425 . . . . 0.0 113.4 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -68.62 -42.29 78.31 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.021 -1.049 . . . . 0.0 111.459 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.32 -40.31 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 120.615 -1.303 . . . . 0.0 111.53 175.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.1 99.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.999 0.904 . . . . 0.0 111.499 174.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -72.68 -35.3 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 O-C-N 120.653 -1.28 . . . . 0.0 112.585 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -39.99 58.45 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.417 1.087 . . . . 0.0 113.055 161.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.49 -49.96 42.98 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.873 -0.517 . . . . 0.0 109.892 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.54 -44.8 66.02 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.353 -1.467 . . . . 0.0 111.81 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -52.7 -49.29 65.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.536 171.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.26 64.9 mm-40 -79.84 -29.64 40.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 121.366 1.894 . . . . 0.0 114.478 -177.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -52.81 -28.85 24.51 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 119.856 -1.778 . . . . 0.0 111.195 155.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 29.6 m -95.75 1.58 53.43 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 171.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 40.17 69.12 0.34 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.454 2.302 . . . . 0.0 116.75 -160.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -122.19 105.2 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 126.122 1.769 . . . . 0.0 111.835 168.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.4 110.71 18.84 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 120.054 -1.654 . . . . 0.0 110.691 -177.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 33.3 mm -70.3 132.06 88.14 Favored Pre-proline 0 CA--C 1.551 1.016 0 O-C-N 118.814 -2.429 . . . . 0.0 112.225 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.477 ' CD ' HH12 ' B' ' 113' ' ' ARG . 59.1 Cg_endo -77.42 136.52 15.82 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.163 2.575 . . . . 0.0 109.394 168.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -44.39 -40.67 5.59 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 128.717 2.807 . . . . 0.0 113.537 -176.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.61 -37.91 42.87 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 21.0 mm -55.62 -53.0 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 O-C-N 121.004 -1.06 . . . . 0.0 109.933 170.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.63 -45.18 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.874 -168.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' B' ' 64' ' ' LYS . 4.0 tp10 -35.72 -59.2 0.58 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.649 1.979 . . . . 0.0 111.879 171.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.4 -62.95 1.19 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.723 1.209 . . . . 0.0 110.874 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' B' ' 108' ' ' TYR . 1.2 tm? -52.55 -42.08 64.11 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.84 1.256 . . . . 0.0 113.349 -164.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 72.0 t -48.17 -41.26 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 O-C-N 121.246 -0.909 . . . . 0.0 112.862 173.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -74.05 -42.87 59.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.33 1.052 . . . . 0.0 112.464 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -71.38 67.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.329 1.452 . . . . 0.0 110.663 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -67.21 77.88 0.15 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.291 1.436 . . . . 0.0 113.52 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.62 173.05 2.96 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.604 0.761 . . . . 0.0 111.936 172.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -71.19 -43.89 66.52 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.614 -0.679 . . . . 0.0 112.754 -168.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 4.4 p -168.6 175.24 6.27 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -170.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 3.0 mp0 -33.06 -56.51 0.39 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 130.201 3.4 . . . . 0.0 114.338 178.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -57.93 -47.36 83.09 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.881 -1.137 . . . . 0.0 111.414 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -69.11 -38.42 78.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.913 -0.492 . . . . 0.0 111.715 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.63 -39.28 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.795 173.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.269 1.1 pp -64.11 -40.4 96.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 121.269 1.849 . . . . 0.0 111.121 176.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -53.77 -57.47 10.77 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.431 -0.793 . . . . 0.0 110.716 172.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' TYR . . . . . 0.5 ' CD1' HD23 ' B' ' 94' ' ' LEU . 46.9 t80 -56.49 -58.4 8.17 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.565 -0.709 . . . . 0.0 112.309 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 83.9 mt -49.36 -46.55 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 123.768 0.827 . . . . 0.0 111.374 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' GLU . . . . . 0.453 ' CD ' HH22 ' A' ' 126' ' ' ARG . 56.2 mt-10 -66.79 -36.7 83.01 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 68.9 p -61.25 -51.74 67.66 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 120.535 -1.353 . . . . 0.0 112.082 168.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -67.34 -28.75 68.24 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.666 -1.271 . . . . 0.0 112.541 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.477 HH12 ' CD ' ' B' ' 87' ' ' PRO . 2.0 ttt85 -65.9 -29.78 70.26 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.04 -1.663 . . . . 0.0 111.48 167.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 92.5 m -75.22 -35.48 61.47 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.976 -1.078 . . . . 0.0 113.238 170.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -51.93 -56.46 13.99 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.365 0.984 . . . . 0.0 110.399 157.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -54.7 -41.85 70.76 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -60.69 -45.33 94.59 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.698 -1.251 . . . . 0.0 111.536 172.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.14 -48.36 76.33 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.188 0.904 . . . . 0.0 112.697 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -51.26 -41.91 60.71 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.549 -1.344 . . . . 0.0 111.568 171.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -79.44 -9.14 59.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 173.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -82.44 -32.93 28.72 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.24 1.816 . . . . 0.0 111.487 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -47.62 122.02 4.5 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.76 130.81 42.14 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.368 2.267 . . . . 0.0 114.434 172.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 26.8 tp -99.02 113.84 26.22 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.54 1.064 . . . . 0.0 109.933 149.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -69.69 -29.96 67.5 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.034 0.934 . . . . 0.0 112.677 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.412 ' HE ' ' C ' ' B' ' 126' ' ' ARG . 0.0 OUTLIER 73.2 -38.39 0.41 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.323 2.249 . . . . 0.0 115.282 173.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.35 74.62 1.23 Allowed Glycine 0 CA--C 1.536 1.372 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -164.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . 0.3 15.1 p 110.04 -136.98 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 129.376 3.07 . . . . 0.0 113.994 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -75.35 168.43 20.0 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -166.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt . . . . . 0 CA--C 1.534 0.346 0 C-N-CA 125.95 1.7 . . . . 0.0 110.648 -178.144 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 93.4 mtp -61.36 84.93 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.982 0.913 . . . . 0.0 111.344 166.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -97.7 -161.3 0.86 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.694 1.597 . . . . 0.0 111.474 173.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -74.59 72.15 1.92 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.001 1.32 . . . . 0.0 110.484 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.6 p -72.38 65.1 0.61 Allowed 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.774 -1.204 . . . . 0.0 112.29 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.8 t -141.09 144.99 25.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 127.116 2.166 . . . . 0.0 108.557 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.7 99.33 0.11 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.005 0.522 . . . . 0.0 111.147 172.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 mp 70.71 92.01 0.09 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.994 1.318 . . . . 0.0 112.789 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -113.74 -177.93 3.25 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.472 1.509 . . . . 0.0 112.175 170.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -30.61 -65.16 0.12 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.693 1.997 . . . . 0.0 116.22 -170.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.7 p -65.17 -57.57 8.22 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -57.38 -42.49 82.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.132 -0.98 . . . . 0.0 112.047 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.77 -47.67 92.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 120.901 -1.124 . . . . 0.0 111.35 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.79 70.21 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.749 0.785 . . . . 0.0 112.392 177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.8 t -75.5 -45.4 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 O-C-N 121.081 -1.012 . . . . 0.0 112.151 174.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.95 -42.05 65.08 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.423 1.489 . . . . 0.0 113.45 169.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.68 -54.18 46.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.566 0.698 . . . . 0.0 109.159 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.67 -35.61 70.8 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.777 -0.577 . . . . 0.0 112.489 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CD1' HD22 ' B' ' 124' ' ' LEU . 15.2 m-85 -55.13 -59.51 4.67 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.167 0.894 . . . . 0.0 111.97 168.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -70.88 -28.55 64.64 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 120.057 1.299 . . . . 0.0 112.537 -173.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -55.74 -39.59 71.34 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.405 -1.434 . . . . 0.0 112.344 160.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.4 p -80.63 5.77 14.59 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 170.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 57.98 42.5 22.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.396 2.278 . . . . 0.0 113.174 -173.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.2 mt -105.54 104.3 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 124.565 1.146 . . . . 0.0 112.363 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -69.26 142.74 54.09 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.872 0.844 . . . . 0.0 111.724 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.1 mm -108.59 120.47 46.22 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.253 1.421 . . . . 0.0 110.202 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.82 134.79 26.49 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 121.778 1.652 . . . . 0.0 109.961 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -34.1 -56.01 0.49 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.755 2.422 . . . . 0.0 114.391 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -32.14 -50.39 0.22 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.209 1.803 . . . . 0.0 114.404 173.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.2 mm -53.22 -55.02 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 O-C-N 120.781 -1.199 . . . . 0.0 111.028 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.25 -46.18 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 C-N-CA 124.277 1.031 . . . . 0.0 111.355 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -50.27 -49.76 52.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.12 1.768 . . . . 0.0 112.212 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -70.36 -61.23 1.85 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.375 1.47 . . . . 0.0 111.507 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.82 -42.98 48.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.289 1.436 . . . . 0.0 113.972 -165.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.6 t -49.94 -39.97 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 O-C-N 121.401 -0.812 . . . . 0.0 112.729 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -72.32 -44.48 62.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.037 0.935 . . . . 0.0 111.85 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -56.23 -40.45 74.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.222 1.009 . . . . 0.0 111.799 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? 63.14 44.62 5.64 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 157.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.94 169.23 17.32 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.183 -0.948 . . . . 0.0 113.425 -171.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -80.04 -58.96 2.91 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 120.821 -1.174 . . . . 0.0 112.075 -168.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.4 p -115.55 168.2 10.21 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -171.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -46.05 -42.23 13.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.47 1.108 . . . . 0.0 113.15 169.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -64.61 -45.98 84.61 Favored 'General case' 0 C--O 1.222 -0.391 0 O-C-N 121.148 -0.97 . . . . 0.0 111.073 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.43 -46.44 79.93 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.919 -1.113 . . . . 0.0 111.259 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.98 -42.4 94.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.406 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.016 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.94 -39.33 93.35 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.404 1.456 . . . . 0.0 112.24 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -60.21 -56.85 16.55 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.092 0.86 . . . . 0.0 110.461 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -58.56 -51.4 70.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.798 0.439 . . . . 0.0 111.648 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.84 -54.63 15.44 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 O-C-N 121.535 -0.728 . . . . 0.0 110.837 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -30.47 71.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.982 -1.074 . . . . 0.0 111.923 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.4 m -61.87 -58.62 7.26 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.663 -1.273 . . . . 0.0 112.659 169.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.73 -34.16 75.32 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.276 -1.515 . . . . 0.0 111.7 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -63.94 -33.84 76.63 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 119.551 -1.968 . . . . 0.0 111.536 171.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 97.9 m -62.93 -44.86 94.94 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.116 -0.99 . . . . 0.0 112.376 167.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -47.3 -56.68 6.34 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.614 0.643 . . . . 0.0 110.892 164.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -54.38 -41.08 68.8 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 174.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -51.11 -55.27 18.6 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.67 -1.269 . . . . 0.0 109.295 170.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.66 -45.63 88.93 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.911 0.884 . . . . 0.0 113.007 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.495 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 73.8 mm-40 -53.07 -45.56 68.2 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.587 -1.321 . . . . 0.0 111.961 173.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -75.13 -20.13 59.56 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.76 -43.4 37.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.698 1.599 . . . . 0.0 112.349 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.495 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 47.3 mtmt -53.07 144.19 15.89 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -172.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -60.97 136.65 58.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.394 2.278 . . . . 0.0 114.533 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.5 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.5 OUTLIER -114.02 121.66 44.55 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 153.336 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.46 -9.38 12.46 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' H ' HD22 ' A' ' 124' ' ' LEU . 26.4 mmt85 68.31 -71.82 0.11 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.947 1.699 . . . . 0.0 112.635 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.9 -69.97 0.13 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 123.905 0.764 . . . . 0.0 112.325 -172.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.9 m -72.09 60.35 0.4 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.876 1.67 . . . . 0.0 113.326 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.05 65.16 0.55 Allowed 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.15 -0.969 . . . . 0.0 110.192 168.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 84.0 tttt . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 124.181 0.992 . . . . 0.0 111.357 -172.69 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 CA--C 1.546 0.824 0 CA-C-O 121.684 0.754 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 74.0 mtm -80.55 69.42 7.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.903 1.281 . . . . 0.0 110.705 172.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -77.05 38.42 0.21 Allowed 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -166.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -74.07 77.94 1.73 Allowed 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.394 -1.441 . . . . 0.0 110.641 174.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -36.19 -45.1 0.43 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 128.449 2.7 . . . . 0.0 117.128 -167.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -80.86 130.73 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 124.375 1.07 . . . . 0.0 111.81 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 47.41 94.83 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.791 2.036 . . . . 0.0 114.53 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mp 62.47 78.7 0.28 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 122.822 1.296 . . . . 0.0 112.649 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -96.29 170.76 9.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.331 2.653 . . . . 0.0 111.683 169.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.26 -66.22 0.13 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.055 1.742 . . . . 0.0 115.446 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.6 p -60.73 -56.37 22.11 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -61.28 -38.07 85.45 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.336 1.426 . . . . 0.0 112.174 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.63 -46.39 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.244 -0.91 . . . . 0.0 111.704 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.06 74.99 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.975 0.893 . . . . 0.0 110.901 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.495 HG12 ' CE2' ' B' ' 79' ' ' TYR 0.287 7.4 t -78.32 -27.76 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 O-C-N 121.317 -0.864 . . . . 0.0 112.685 177.535 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.62 -37.63 73.61 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.03 -1.669 . . . . 0.0 112.857 166.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.41 -52.12 62.9 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' LEU . . . . . 0.438 ' HB3' HD21 ' A' ' 124' ' ' LEU . 96.0 mt -49.71 -43.01 47.3 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.626 -0.671 . . . . 0.0 112.226 172.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.5 ' CE1' HD12 ' A' ' 124' ' ' LEU . 27.9 m-85 -57.25 -66.4 0.46 Allowed 'General case' 0 C--O 1.239 0.501 0 O-C-N 120.467 -1.395 . . . . 0.0 113.51 170.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.58 -42.96 67.14 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.442 -0.786 . . . . 0.0 111.507 -167.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -57.93 -39.0 76.93 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.905 -1.122 . . . . 0.0 112.345 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 45.3 t -60.23 -50.21 74.54 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 120.777 -1.202 . . . . 0.0 111.228 171.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.252 26.7 p-10 123.81 40.82 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 130.658 3.583 . . . . 0.0 112.941 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 40.7 mt -116.83 119.87 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 126.632 1.973 . . . . 0.0 110.77 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -80.64 145.99 31.39 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.213 0.53 . . . . 0.0 110.954 164.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 mm -106.72 133.91 20.06 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 125.168 1.387 . . . . 0.0 112.403 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.45 133.57 46.67 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.765 2.31 . . . . 0.0 112.786 165.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.6 p -44.96 -56.28 4.74 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.688 1.995 . . . . 0.0 113.28 172.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -36.08 -56.97 0.72 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.078 1.751 . . . . 0.0 114.511 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 pt -65.38 -37.26 79.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 O-C-N 120.742 -1.224 . . . . 0.0 113.035 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -56.75 -46.86 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 119.866 1.212 . . . . 0.0 111.053 173.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -53.95 -63.66 1.08 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.672 0.789 . . . . 0.0 111.263 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.59 -45.48 93.81 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.839 -1.163 . . . . 0.0 110.754 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.71 -51.31 50.91 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.006 -1.059 . . . . 0.0 112.842 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.24 -39.44 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 120.962 -1.087 . . . . 0.0 113.554 174.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.86 -53.87 47.51 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.731 0.812 . . . . 0.0 112.957 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -51.48 -31.55 24.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.268 1.427 . . . . 0.0 112.002 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 57.22 61.25 2.6 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.669 1.223 . . . . 0.0 112.808 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.68 156.15 36.05 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.729 164.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -93.54 -58.56 2.24 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.024 0.53 . . . . 0.0 111.59 -159.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 21.2 p -106.17 164.99 11.56 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -45.46 -39.65 7.43 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.534 2.333 . . . . 0.0 111.95 171.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -62.57 -47.75 82.48 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.219 -0.926 . . . . 0.0 112.127 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -68.51 -43.96 75.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.969 -0.457 . . . . 0.0 110.671 -176.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' VAL . . . . . 0.429 HG23 HG21 ' B' ' 75' ' ' VAL . 27.8 m -66.17 -41.6 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.01 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.256 1.1 pp -64.79 -36.6 84.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.351 1.432 . . . . 0.0 111.749 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -58.47 -58.04 10.27 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.883 -1.135 . . . . 0.0 111.484 174.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -52.34 -59.96 3.79 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.526 0.73 . . . . 0.0 111.019 175.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.446 HG21 ' CE2' ' B' ' 79' ' ' TYR . 90.2 mt -57.79 -47.97 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.241 0.616 . . . . 0.0 110.853 -172.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.64 -42.87 93.73 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.049 -1.657 . . . . 0.0 112.423 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.1 m -60.74 -51.7 68.24 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.663 -0.648 . . . . 0.0 111.722 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -73.67 -29.37 62.27 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.169 -0.957 . . . . 0.0 112.703 -174.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -57.83 -43.99 86.16 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.22 -1.55 . . . . 0.0 110.916 161.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.315 98.2 m -60.52 -44.64 95.82 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.654 -1.279 . . . . 0.0 113.307 175.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -48.76 -58.45 4.77 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.4 0.545 . . . . 0.0 112.062 159.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -55.38 -41.44 72.61 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.256 17.4 pttm -59.79 -44.9 93.71 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 121.019 1.736 . . . . 0.0 112.56 169.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.8 -46.33 84.79 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 120.34 1.427 . . . . 0.0 111.979 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -55.03 -46.0 75.22 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.96 1.304 . . . . 0.0 112.455 173.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -66.22 -27.89 68.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.028 1.331 . . . . 0.0 112.299 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -79.97 -33.01 39.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.405 1.882 . . . . 0.0 113.417 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -43.11 135.11 3.33 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.81 0.844 . . . . 0.0 112.232 173.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -95.35 114.92 26.74 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -173.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 79' ' ' TYR . 15.5 tp -70.28 85.41 0.57 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.709 -1.244 . . . . 0.0 111.109 169.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -55.18 -24.48 27.16 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.868 1.267 . . . . 0.0 114.322 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 63.39 77.87 0.31 Allowed 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 169.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.22 41.01 1.09 Allowed Glycine 0 CA--C 1.543 1.815 0 O-C-N 120.496 -1.378 . . . . 0.0 114.184 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -170.26 48.66 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.752 1.621 . . . . 0.0 110.176 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 52.7 tp -58.64 140.93 53.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.055 1.342 . . . . 0.0 112.068 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 55.9 mttp . . . . . 0 N--CA 1.467 0.406 0 C-N-CA 124.399 1.08 . . . . 0.0 111.441 -179.276 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.7 ttt -77.48 67.05 3.34 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 120.535 -1.353 . . . . 0.0 113.391 -174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -67.6 155.61 38.74 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.351 -0.843 . . . . 0.0 111.885 170.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 73.47 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.586 1.154 . . . . 0.0 110.347 162.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.1 m -78.76 66.94 4.37 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.341 1.057 . . . . 0.0 113.114 -163.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.3 t -71.64 151.2 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 151.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.11 131.42 15.96 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp 63.23 71.54 0.51 Allowed 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 122.843 1.306 . . . . 0.0 112.84 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.3 t -84.06 177.9 8.06 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.402 1.481 . . . . 0.0 112.175 166.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.38 -62.46 1.26 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -172.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 p -58.13 -55.58 33.18 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -60.7 -39.99 90.6 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.851 -1.156 . . . . 0.0 111.889 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.86 -44.88 91.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 120.892 -1.13 . . . . 0.0 111.75 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.42 -42.37 87.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.883 0.849 . . . . 0.0 111.562 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.649 HG12 ' CE2' ' A' ' 79' ' ' TYR . 5.9 t -79.92 -38.04 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.475 -0.766 . . . . 0.0 112.181 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.54 -42.29 15.59 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.809 -1.182 . . . . 0.0 112.638 163.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.46 -52.41 58.14 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.975 -0.453 . . . . 0.0 109.856 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.6 mt -51.56 -46.08 63.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.91 -0.493 . . . . 0.0 110.708 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.649 ' CE2' HG12 ' A' ' 75' ' ' VAL . 35.5 m-85 -57.92 -59.91 4.53 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.101 -1.0 . . . . 0.0 112.219 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.08 -41.74 81.43 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.718 0.69 . . . . 0.0 110.786 -172.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -59.4 -38.16 79.88 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.607 -1.308 . . . . 0.0 112.67 170.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.1 t -69.39 -7.36 36.85 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.242 -1.536 . . . . 0.0 113.493 172.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 66.93 48.07 1.34 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.916 2.487 . . . . 0.0 111.677 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mt -122.29 84.89 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 126.185 1.794 . . . . 0.0 110.791 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -58.87 127.63 33.18 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.821 -0.549 . . . . 0.0 112.274 -171.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.473 HD13 ' NH1' ' A' ' 113' ' ' ARG . 42.6 mm -86.19 115.92 63.81 Favored Pre-proline 0 CA--C 1.544 0.738 0 O-C-N 120.808 -1.182 . . . . 0.0 110.755 167.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HD3' HH12 ' A' ' 113' ' ' ARG . 32.8 Cg_endo -72.89 140.16 31.41 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.461 1.441 . . . . 0.0 108.837 168.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.6 p -51.93 -28.61 17.07 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.354 1.462 . . . . 0.0 113.403 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.97 -35.5 59.04 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.603 1.161 . . . . 0.0 114.042 172.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.57 -42.86 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 119.99 -1.694 . . . . 0.0 110.33 169.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.7 mt -68.64 -43.08 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.911 0.885 . . . . 0.0 110.922 -172.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -37.77 -58.17 0.93 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.541 1.936 . . . . 0.0 112.106 165.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -68.66 -65.94 0.64 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 122.565 1.174 . . . . 0.0 109.95 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -53.44 17.7 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.925 1.29 . . . . 0.0 113.575 -171.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 68.9 t -52.28 -49.83 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 121.388 -0.82 . . . . 0.0 112.53 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.64 -41.21 72.47 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.782 0.719 . . . . 0.0 112.665 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -55.24 -36.61 66.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.006 0.922 . . . . 0.0 112.615 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 55.1 68.9 0.79 Allowed 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 123.666 1.698 . . . . 0.0 113.706 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.08 163.37 25.17 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.557 158.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -123.76 -39.08 2.44 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -164.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.8 t -87.01 147.07 25.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.147 0.885 . . . . 0.0 111.628 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 24.7 mp0 -49.23 -36.15 19.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.324 1.45 . . . . 0.0 111.409 166.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -62.64 -47.36 84.07 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.907 -1.121 . . . . 0.0 112.228 172.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -63.88 -48.93 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.221 -0.925 . . . . 0.0 111.588 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.36 -42.84 97.06 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.629 HD13 ' NH1' ' B' ' 126' ' ' ARG 0.284 1.0 OUTLIER -63.78 -41.6 97.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 120.204 1.366 . . . . 0.0 112.597 178.117 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.429 ' N ' HD12 ' A' ' 106' ' ' LEU . 86.8 m-20 -60.41 -56.42 21.6 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.217 -0.927 . . . . 0.0 110.899 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -63.08 -49.08 75.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.411 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -50.98 -55.91 6.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 174.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.261 32.4 mt-10 -63.06 -30.89 71.95 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.701 -1.25 . . . . 0.0 113.474 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.6 m -60.48 -57.76 11.38 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.416 -0.802 . . . . 0.0 112.133 165.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.43 -31.5 72.74 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.517 -1.365 . . . . 0.0 112.944 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.473 ' NH1' HD13 ' A' ' 86' ' ' ILE . 67.6 mtp85 -65.01 -32.09 73.65 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.116 -1.615 . . . . 0.0 111.033 168.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.329 96.8 m -69.01 -39.1 79.5 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.45 -1.406 . . . . 0.0 114.024 168.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.35 -64.37 0.81 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.339 0.972 . . . . 0.0 110.529 158.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -52.2 -42.11 63.23 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -58.08 -49.94 75.2 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.022 -1.049 . . . . 0.0 112.418 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.65 -39.54 67.09 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.04 0.837 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -52.33 -45.63 65.71 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.226 -1.546 . . . . 0.0 111.562 167.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.38 -4.41 10.95 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 119.582 -1.949 . . . . 0.0 113.844 172.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -104.34 -8.86 18.93 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.937 2.095 . . . . 0.0 111.724 172.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -67.21 128.57 36.89 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.908 -1.12 . . . . 0.0 110.855 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 138.05 58.28 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -175.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.709 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.6 OUTLIER -103.77 104.4 14.41 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.726 -0.609 . . . . 0.0 109.524 155.467 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.95 21.7 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -172.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.521 ' NH2' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER 57.95 -77.17 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.252 1.421 . . . . 0.0 114.497 -174.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.7 -78.53 0.03 OUTLIER Glycine 0 CA--C 1.537 1.41 0 N-CA-C 111.527 -0.629 . . . . 0.0 111.527 -166.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 69.5 m -74.67 64.38 1.22 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.091 0.956 . . . . 0.0 112.112 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 30.8 tp -71.19 76.04 0.7 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.851 0.834 . . . . 0.0 111.063 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 CA--C 1.537 0.479 0 O-C-N 120.774 -1.204 . . . . 0.0 110.902 -175.667 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 CA--C 1.542 0.651 0 CA-C-O 121.449 0.643 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 6.7 tpt -85.62 59.85 5.88 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.257 1.023 . . . . 0.0 111.297 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.48 63.64 0.81 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.904 1.681 . . . . 0.0 111.712 -169.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LYS . . . . . 0.675 ' HZ1' ' CD ' ' B' ' 92' ' ' GLU . 12.7 tppt? -76.44 77.86 3.17 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -159.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -143.99 -176.53 5.03 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.457 0.703 . . . . 0.0 110.769 156.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.4 p -75.48 66.39 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 121.173 -0.954 . . . . 0.0 112.671 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -77.05 46.45 0.48 Allowed 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.564 -1.335 . . . . 0.0 113.904 -175.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.08 99.11 11.93 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.459 1.103 . . . . 0.0 108.475 169.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -122.55 -168.52 1.75 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.974 2.109 . . . . 0.0 111.25 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -33.8 -69.77 0.09 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.394 1.877 . . . . 0.0 115.115 -165.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 4.3 p -62.53 -64.15 1.01 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' B' ' 72' ' ' GLU . 7.1 pm0 -55.53 -40.69 72.17 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.269 -1.519 . . . . 0.0 112.638 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 89.6 t -62.78 -43.66 98.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 120.985 -1.072 . . . . 0.0 111.906 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.56 -47.62 83.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.005 0.907 . . . . 0.0 111.327 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.494 HG12 ' CE2' ' B' ' 79' ' ' TYR . 23.6 t -68.32 -30.27 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 O-C-N 120.893 -1.13 . . . . 0.0 111.045 -177.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -34.85 60.84 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.79 -1.194 . . . . 0.0 113.633 167.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -76.67 -50.51 13.55 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 73.2 mt -47.04 -38.58 11.25 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.5 -1.375 . . . . 0.0 111.758 173.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.709 ' CE1' HD12 ' A' ' 124' ' ' LEU . 19.1 m-85 -59.35 -58.56 8.09 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 167.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -76.01 -30.94 58.68 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.655 1.116 . . . . 0.0 113.728 -170.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -59.59 -25.73 64.85 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 119.331 -2.105 . . . . 0.0 111.763 159.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.32 -1.77 58.15 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 119.845 -1.784 . . . . 0.0 114.86 165.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 51.45 56.19 8.28 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 130.973 3.709 . . . . 0.0 114.545 -166.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.541 HG23 ' NH2' ' B' ' 113' ' ' ARG . 31.1 mt -110.61 111.95 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 124.431 1.093 . . . . 0.0 111.584 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -72.97 119.77 17.68 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.887 -1.133 . . . . 0.0 108.053 163.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 28.1 mm -83.46 126.17 72.13 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 120.419 -1.426 . . . . 0.0 109.238 168.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.72 137.96 33.57 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.604 2.202 . . . . 0.0 112.717 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -47.38 -44.49 24.28 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 125.129 1.372 . . . . 0.0 111.682 174.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.52 -44.71 69.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 171.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.79 -52.9 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 120.719 -1.238 . . . . 0.0 109.315 172.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.83 -45.38 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.861 -0.524 . . . . 0.0 110.441 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.675 ' CD ' ' HZ1' ' B' ' 64' ' ' LYS . 15.2 tp10 -48.42 -59.28 3.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.628 1.171 . . . . 0.0 112.546 171.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.81 -54.79 18.94 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 122.022 -0.424 . . . . 0.0 111.637 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -48.85 37.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.464 1.106 . . . . 0.0 111.718 -175.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.74 -41.5 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 124.835 1.254 . . . . 0.0 112.534 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -67.37 -53.59 28.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.776 0.83 . . . . 0.0 111.554 173.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -62.55 -32.15 73.06 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.018 -1.051 . . . . 0.0 113.381 -174.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? 62.87 51.96 2.81 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 157.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.82 179.58 1.07 Allowed 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.82 -43.83 4.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.421 1.088 . . . . 0.0 113.536 -167.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.7 t -120.7 152.85 37.73 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -39.22 -48.44 1.78 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 128.67 2.788 . . . . 0.0 112.137 167.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -62.07 -43.57 98.56 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.475 0.655 . . . . 0.0 111.793 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -67.73 -46.28 72.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.155 -0.966 . . . . 0.0 111.025 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 19.1 m -64.68 -44.59 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 118.611 -0.709 . . . . 0.0 109.655 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.26 2.1 pp -62.43 -42.16 99.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.942 1.247 . . . . 0.0 112.079 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -61.58 -55.4 31.22 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.98 0.809 . . . . 0.0 110.766 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -59.67 -52.27 66.25 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.839 0.456 . . . . 0.0 110.987 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -52.6 -55.12 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 O-C-N 121.691 -0.631 . . . . 0.0 111.501 175.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -66.98 -30.66 70.85 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.32 -1.487 . . . . 0.0 113.257 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 85.2 m -60.12 -60.3 4.04 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.564 -0.71 . . . . 0.0 111.651 165.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -55.86 -37.25 68.52 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.4 1.095 . . . . 0.0 112.355 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.541 ' NH2' HG23 ' B' ' 84' ' ' ILE . 57.2 ttt85 -68.71 -27.83 66.3 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.904 1.681 . . . . 0.0 111.405 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 70.5 m -78.93 -37.44 39.74 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.554 -1.341 . . . . 0.0 113.002 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -49.27 -59.46 3.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.763 0.71 . . . . 0.0 111.163 159.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -50.97 -47.89 61.23 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.15 -0.969 . . . . 0.0 113.146 175.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -50.09 -49.45 51.47 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.052 -1.03 . . . . 0.0 111.765 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.43 -44.08 83.86 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -50.38 -40.42 49.6 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.052 -1.655 . . . . 0.0 111.409 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -81.18 13.72 2.7 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.513 -1.367 . . . . 0.0 113.05 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -125.62 -23.17 4.1 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 127.142 2.177 . . . . 0.0 113.542 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -59.79 163.06 4.74 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 116.64 18.29 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.495 HD13 ' H ' ' B' ' 126' ' ' ARG . 1.2 tm? -99.62 112.92 25.09 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.764 -1.21 . . . . 0.0 110.641 167.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.48 18.58 5.19 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -170.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.629 ' NH1' HD13 ' A' ' 106' ' ' LEU . 2.6 mmt180 67.55 -35.51 0.27 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 170.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.28 51.76 25.74 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 -159.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 32.2 m 64.76 -73.16 0.06 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.217 1.407 . . . . 0.0 112.439 -169.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 18.7 tp -157.53 144.28 18.08 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.046 0.939 . . . . 0.0 110.987 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 126.017 1.727 . . . . 0.0 115.411 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.403 ' NE2' ' OD1' ' A' ' 93' ' ' ASP . 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.548 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 85.3 mtp -77.69 -172.12 2.47 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.605 1.162 . . . . 0.0 110.765 157.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -115.48 50.91 0.96 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.799 2.84 . . . . 0.0 112.143 -171.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -76.25 68.46 2.65 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.373 -1.455 . . . . 0.0 112.065 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.3 p -69.48 -20.0 63.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.934 2.094 . . . . 0.0 113.589 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.79 76.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.578 1.151 . . . . 0.0 109.806 170.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -80.15 131.81 35.8 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.605 1.562 . . . . 0.0 113.651 -166.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.26 7.8 mp 55.5 58.04 4.88 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 123.537 1.637 . . . . 0.0 109.845 -167.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -66.53 168.77 8.6 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.343 -1.299 . . . . 0.0 111.321 168.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.7 -52.9 10.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.302 1.041 . . . . 0.0 113.286 -176.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.2 p -59.88 -43.03 94.97 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.27 -45.37 80.74 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 122.308 1.051 . . . . 0.0 110.555 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -64.25 -45.61 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 121.286 -0.884 . . . . 0.0 110.84 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.16 96.68 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.599 -0.688 . . . . 0.0 111.452 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.59 -41.28 85.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.49 -0.756 . . . . 0.0 111.653 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.06 -36.52 70.63 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 170.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.57 -51.45 42.53 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.34 -49.93 17.03 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.021 -1.049 . . . . 0.0 112.123 170.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -49.17 -53.14 22.47 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.998 -1.064 . . . . 0.0 112.913 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -85.15 -24.79 27.81 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -172.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -49.0 -45.09 41.82 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.083 -1.636 . . . . 0.0 109.534 153.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 m -75.66 -7.09 53.44 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 53.17 73.66 0.35 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.214 3.006 . . . . 0.0 114.284 -167.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.5 mt -133.65 110.09 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 125.798 1.639 . . . . 0.0 110.591 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.4 HH22 ' CD ' ' B' ' 92' ' ' GLU . 26.2 ttt180 -65.37 129.76 40.9 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.077 165.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.0 mm -96.57 125.74 46.0 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 124.741 1.216 . . . . 0.0 109.042 170.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.98 140.54 69.32 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 121.851 1.7 . . . . 0.0 112.001 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.6 p -50.16 -36.46 30.29 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.803 -0.561 . . . . 0.0 110.883 163.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.16 -22.01 66.58 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.346 1.458 . . . . 0.0 114.716 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.63 -53.37 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 119.412 -2.055 . . . . 0.0 109.07 163.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.6 -40.56 79.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.227 1.411 . . . . 0.0 110.275 -169.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -29.63 -71.9 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.648 2.379 . . . . 0.0 112.863 163.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' OD1' ' NE2' ' A' ' 61' ' ' HIS . 13.9 t70 -74.51 -54.52 7.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.016 0.526 . . . . 0.0 110.874 -179.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.433 HD11 HD11 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -38.56 -57.91 1.1 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.116 1.766 . . . . 0.0 112.226 -177.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.3 t -54.61 -64.22 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.478 0.711 . . . . 0.0 112.33 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -69.03 -44.74 72.11 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.832 1.196 . . . . 0.0 114.066 -172.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -42.99 86.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -151.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' NE ' ' H ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -179.91 -153.53 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.911 1.685 . . . . 0.0 110.083 -175.641 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' H ' ' NE ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER 79.5 139.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 128.096 2.558 . . . . 0.0 111.781 169.107 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -135.44 -40.95 0.71 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.383 1.073 . . . . 0.0 112.211 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 t -95.27 146.8 24.09 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 176.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -34.82 -47.37 0.34 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.133 2.573 . . . . 0.0 111.565 161.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -62.83 -44.78 95.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.687 1.195 . . . . 0.0 112.338 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -65.89 -49.47 67.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.916 -0.49 . . . . 0.0 111.35 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.2 m -62.13 -40.85 89.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.401 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.705 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.65 -40.27 92.31 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.875 1.216 . . . . 0.0 112.094 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.17 -57.3 13.64 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.19 -0.944 . . . . 0.0 111.102 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -53.43 -57.4 10.79 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.235 1.414 . . . . 0.0 112.193 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 94' ' ' LEU . 82.5 mt -54.56 -53.1 34.29 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 C-N-CA 123.576 0.75 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.33 -40.94 92.42 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.07 -1.019 . . . . 0.0 111.967 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.5 m -58.19 -54.08 51.04 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.18 -0.95 . . . . 0.0 111.764 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -64.56 -32.6 74.32 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.372 -1.455 . . . . 0.0 112.235 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -67.03 -20.87 65.92 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 119.926 -1.734 . . . . 0.0 111.659 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.285 47.8 m -74.61 -44.26 51.51 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.242 -1.536 . . . . 0.0 112.756 164.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -59.07 3.41 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 118.612 0.642 . . . . 0.0 111.587 161.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -51.81 -48.47 63.86 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -57.96 -37.58 74.43 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 120.662 1.573 . . . . 0.0 112.878 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 56.9 mt -64.22 -49.08 73.37 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.178 0.899 . . . . 0.0 111.915 173.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.57 -25.31 67.24 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 119.956 -1.715 . . . . 0.0 113.48 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.6 1.66 54.56 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.176 -1.578 . . . . 0.0 113.263 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -106.16 -60.28 1.67 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.794 2.038 . . . . 0.0 110.89 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -36.17 147.48 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 128.264 2.626 . . . . 0.0 117.322 -166.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 90.72 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.893 2.077 . . . . 0.0 116.522 -169.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.33 107.92 8.91 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.512 -0.743 . . . . 0.0 110.24 150.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.96 27.64 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.911 1.685 . . . . 0.0 115.045 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 65.61 -63.41 0.21 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.046 2.138 . . . . 0.0 113.872 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.77 -72.25 1.06 Allowed Glycine 0 CA--C 1.537 1.42 0 C-N-CA 123.883 0.754 . . . . 0.0 113.66 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 85.3 p -78.29 50.76 0.95 Allowed 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.192 -1.181 . . . . 0.0 113.65 -171.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.23 66.1 0.63 Allowed 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -169.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 CA--C 1.538 0.482 0 O-C-N 120.636 -1.29 . . . . 0.0 110.881 168.892 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 119.199 -0.429 . . . . 0.0 112.032 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 47.5 ttp -129.59 111.61 12.88 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.046 0.939 . . . . 0.0 110.289 169.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.49 62.92 0.55 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.343 1.857 . . . . 0.0 113.8 -167.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -76.2 60.75 1.52 Allowed 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.417 -1.427 . . . . 0.0 112.282 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 36.4 p -44.93 -47.35 11.31 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.132 1.773 . . . . 0.0 112.76 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.4 79.86 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-O 122.609 1.195 . . . . 0.0 110.158 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -78.6 32.86 0.2 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -168.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mp -46.74 104.21 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.922 1.689 . . . . 0.0 109.943 164.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.8 t -123.11 -168.38 1.75 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.469 3.107 . . . . 0.0 110.97 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.9 -71.84 0.07 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -167.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.5 p -65.37 -50.73 64.44 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -170.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -64.8 -38.93 92.65 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.704 -1.247 . . . . 0.0 111.824 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.8 -43.92 93.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 O-C-N 120.926 -1.109 . . . . 0.0 111.455 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.19 92.01 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 122.238 1.018 . . . . 0.0 111.004 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.57 -33.13 55.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 O-C-N 120.736 -1.228 . . . . 0.0 112.067 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -38.42 68.87 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.102 -0.999 . . . . 0.0 112.457 166.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -70.91 -48.74 51.94 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.821 -0.55 . . . . 0.0 109.816 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.68 -41.96 61.79 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.907 -1.12 . . . . 0.0 111.774 173.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -53.84 -50.28 66.58 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 117.924 -1.036 . . . . 0.0 113.225 172.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -84.32 -30.87 25.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.807 1.639 . . . . 0.0 114.872 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -55.26 -30.42 60.05 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.071 -1.643 . . . . 0.0 111.354 156.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 44.3 m -82.42 -17.74 44.34 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ASN . . . . . 0.444 ' C ' HD12 ' B' ' 84' ' ' ILE . 1.1 m120 83.28 45.05 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 129.844 3.258 . . . . 0.0 112.447 174.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.444 HD12 ' C ' ' B' ' 83' ' ' ASN . 1.9 mp -122.49 109.83 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 127.746 2.418 . . . . 0.0 110.674 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -70.41 117.81 12.43 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.859 -1.151 . . . . 0.0 110.1 163.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -70.23 128.1 91.7 Favored Pre-proline 0 CA--C 1.541 0.609 0 O-C-N 121.116 -0.99 . . . . 0.0 110.764 166.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -56.54 129.52 35.16 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 121.801 1.667 . . . . 0.0 111.122 166.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 58.2 m -44.18 -39.68 4.53 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.646 1.578 . . . . 0.0 112.232 168.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.61 -24.74 34.86 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.398 1.479 . . . . 0.0 114.967 174.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 mm -68.51 -49.61 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 119.633 -1.917 . . . . 0.0 109.958 165.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.18 -35.05 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.472 1.109 . . . . 0.0 111.023 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.4 ' CD ' HH22 ' A' ' 85' ' ' ARG . 35.1 tt0 -39.81 -53.9 2.19 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.088 1.755 . . . . 0.0 112.587 164.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -63.41 1.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.086 1.755 . . . . 0.0 111.142 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -42.76 56.84 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.024 0.93 . . . . 0.0 113.434 -165.148 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.2 t -50.84 -40.74 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.794 0.838 . . . . 0.0 113.253 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -75.53 -45.06 40.35 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.549 0.613 . . . . 0.0 111.371 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.89 -39.59 89.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.822 1.249 . . . . 0.0 112.614 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.16 46.93 18.06 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 158.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.56 162.75 9.93 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.343 -0.848 . . . . 0.0 111.836 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -96.48 -47.52 5.93 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -169.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -92.36 150.04 21.07 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.985 1.266 . . . . 0.0 114.129 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -42.42 -46.95 4.89 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.167 2.587 . . . . 0.0 111.624 165.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.31 -46.08 86.83 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.496 -0.753 . . . . 0.0 111.607 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.29 -46.68 72.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.452 -0.78 . . . . 0.0 111.026 -175.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.48 -43.26 96.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.216 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.4 pp -65.66 -36.95 85.15 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.542 1.519 . . . . 0.0 111.926 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.86 -60.08 4.26 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.32 -0.863 . . . . 0.0 111.048 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -61.14 -50.98 71.01 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.982 -0.448 . . . . 0.0 111.677 -177.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -48.3 -49.36 12.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.484 0 O-C-N 121.122 -0.986 . . . . 0.0 111.928 171.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.22 -41.02 92.17 Favored 'General case' 0 CA--C 1.553 1.08 0 O-C-N 120.215 -1.553 . . . . 0.0 113.166 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 60.3 p -63.43 -48.36 78.08 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.28 -1.513 . . . . 0.0 112.758 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.1 -36.59 82.19 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.809 -1.182 . . . . 0.0 112.277 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -65.04 -20.44 66.49 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.327 2.251 . . . . 0.0 111.246 169.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.291 61.2 m -83.65 -41.62 17.57 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 119.047 -2.283 . . . . 0.0 114.148 168.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -45.43 -56.05 5.43 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.795 1.179 . . . . 0.0 110.747 158.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -58.89 -38.35 78.67 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -53.09 -49.65 66.01 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 119.934 -1.729 . . . . 0.0 112.12 166.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.84 -51.49 67.33 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.332 0.969 . . . . 0.0 112.247 175.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.04 -28.87 69.37 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.405 -1.434 . . . . 0.0 113.475 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.37 -22.92 58.97 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 119.343 -2.098 . . . . 0.0 113.245 169.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -94.36 -44.41 7.94 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.709 2.004 . . . . 0.0 113.493 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -40.36 136.45 1.26 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 128.65 30.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.515 1.126 . . . . 0.0 113.518 172.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 22.0 tp -110.35 125.28 53.03 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 148.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -70.96 -18.94 62.6 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 176.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 75.41 -59.51 0.53 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.173 1.789 . . . . 0.0 113.241 170.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.93 -59.92 1.75 Allowed Glycine 0 CA--C 1.536 1.406 0 C-N-CA 123.743 0.687 . . . . 0.0 113.429 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 47.7 m -72.37 55.34 0.33 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.782 1.633 . . . . 0.0 113.798 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 29.8 tp -75.75 62.33 1.5 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.971 1.309 . . . . 0.0 110.992 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 CA--C 1.541 0.597 0 O-C-N 120.975 -1.078 . . . . 0.0 110.981 -179.828 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 53.4 ttm -58.54 120.27 8.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 159.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.25 -175.97 2.81 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -174.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -70.12 150.91 46.04 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.13 1.772 . . . . 0.0 112.872 -169.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.8 p -75.26 45.13 0.27 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.521 1.928 . . . . 0.0 112.106 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.6 p -76.6 50.13 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 C-N-CA 125.946 1.699 . . . . 0.0 114.472 -163.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.38 63.49 3.26 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 119.807 -1.808 . . . . 0.0 110.729 175.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HB3' HG22 ' A' ' 73' ' ' VAL . 98.6 mt -58.92 100.19 0.06 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.012 1.325 . . . . 0.0 110.821 172.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 73' ' ' VAL . 10.7 t -98.6 176.21 5.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.498 1.919 . . . . 0.0 112.537 170.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.26 -67.18 0.18 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -166.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.2 p -64.13 -49.78 70.83 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -173.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pm0 -63.51 -41.08 98.52 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.64 -1.288 . . . . 0.0 111.979 175.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 68' ' ' LEU . 85.3 t -54.71 -49.22 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 121.052 -1.03 . . . . 0.0 110.49 174.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.1 81.91 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.738 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.254 21.6 t -73.78 -36.61 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 O-C-N 121.245 -0.909 . . . . 0.0 112.363 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.8 -45.52 59.31 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.4 1.48 . . . . 0.0 113.345 165.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -66.06 -53.09 42.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.6 mt -51.64 -41.02 61.01 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.737 -0.602 . . . . 0.0 111.969 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -51.2 -52.56 43.25 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.163 1.347 . . . . 0.0 112.875 172.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -80.29 -30.25 38.27 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.37 -9.76 3.95 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.133 -1.604 . . . . 0.0 112.686 156.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.64 -2.34 23.53 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.936 1.695 . . . . 0.0 115.147 166.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 56.23 69.4 0.74 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.416 2.687 . . . . 0.0 113.796 -168.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.3 mt -141.54 112.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.019 1.728 . . . . 0.0 109.101 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -72.64 146.64 46.44 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 117.394 -1.722 . . . . 0.0 109.951 166.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.0 mm -99.14 127.29 35.26 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 124.563 1.145 . . . . 0.0 109.327 171.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -71.03 131.96 20.41 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.042 1.828 . . . . 0.0 109.973 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.9 m -32.45 -49.3 0.2 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.5 1.92 . . . . 0.0 114.714 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.82 -47.09 2.85 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.5 mm -54.34 -52.29 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 O-C-N 121.372 -0.83 . . . . 0.0 110.75 173.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.62 -50.65 79.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 110.261 -176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.86 -53.92 5.68 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.292 1.437 . . . . 0.0 112.358 171.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -65.75 -65.16 0.71 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 122.123 0.963 . . . . 0.0 110.075 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.46 -49.77 63.99 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.141 1.376 . . . . 0.0 113.398 -171.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.17 -41.19 41.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 121.553 -0.717 . . . . 0.0 111.632 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -51.56 47.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.984 1.714 . . . . 0.0 112.797 173.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -52.11 -39.52 59.96 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.718 0.807 . . . . 0.0 112.727 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 61.28 50.83 4.57 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 169.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.4 mt -68.3 160.58 29.11 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.973 170.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -84.56 -59.6 2.32 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.093 -1.005 . . . . 0.0 111.16 -162.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 p -111.42 166.09 11.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.62 -34.71 27.15 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.363 1.865 . . . . 0.0 111.766 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -60.91 -45.72 93.51 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.153 -0.967 . . . . 0.0 112.394 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -73.13 -43.35 61.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.129 -0.357 . . . . 0.0 110.609 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.46 -41.01 91.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.27 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.305 1.4 pp -63.78 -41.57 97.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.534 1.515 . . . . 0.0 111.648 175.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -53.69 -57.08 12.11 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.281 -1.512 . . . . 0.0 112.216 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -65.95 -52.75 46.96 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.923 -0.485 . . . . 0.0 112.083 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.81 -53.16 14.59 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 121.149 -0.969 . . . . 0.0 110.593 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -57.02 -37.47 71.76 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.452 -1.405 . . . . 0.0 112.23 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 m -60.38 -59.68 5.02 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.375 0.67 . . . . 0.0 112.001 170.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.16 -34.73 76.97 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.124 -0.985 . . . . 0.0 113.032 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -57.59 -46.75 83.63 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.226 -1.546 . . . . 0.0 110.163 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.263 66.0 m -60.71 -43.51 97.72 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.696 -1.252 . . . . 0.0 114.006 176.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -48.73 -58.44 4.77 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.523 0.601 . . . . 0.0 110.923 160.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -52.32 -43.64 64.65 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.27 18.6 pttm -59.16 -48.53 81.26 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 118.597 -1.241 . . . . 0.0 112.608 171.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.07 -42.96 99.79 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.655 1.116 . . . . 0.0 112.823 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -54.77 -47.94 73.27 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.55 -1.344 . . . . 0.0 111.485 173.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -71.6 -13.07 61.66 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.489 -1.382 . . . . 0.0 114.609 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -76.64 -34.25 58.31 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.058 1.343 . . . . 0.0 112.251 172.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -55.49 129.03 37.21 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 121.188 -0.945 . . . . 0.0 113.394 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 140.36 39.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.02 2.128 . . . . 0.0 114.267 174.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.648 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -105.56 135.15 47.49 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.919 0.888 . . . . 0.0 108.613 148.449 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -73.39 -0.24 14.21 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 174.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.605 ' HD2' HD13 ' B' ' 106' ' ' LEU . 24.7 mmt85 67.91 -69.52 0.14 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.963 1.705 . . . . 0.0 114.139 177.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.64 -66.45 0.29 Allowed Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.217 0.913 . . . . 0.0 113.726 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.7 t -70.28 67.48 0.32 Allowed 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.242 1.417 . . . . 0.0 114.245 -176.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 tt -75.21 58.36 0.92 Allowed 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.733 -1.229 . . . . 0.0 110.014 166.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 76.1 tttt . . . . . 0 CA--C 1.54 0.565 0 O-C-N 120.551 -1.343 . . . . 0.0 111.662 -167.475 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 17.2 p80 . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 62.3 mtt -76.92 42.01 0.3 Allowed 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.566 -1.334 . . . . 0.0 113.245 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -62.8 169.28 3.28 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.165 1.386 . . . . 0.0 110.928 174.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.36 148.92 43.54 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 119.744 -1.848 . . . . 0.0 112.055 -160.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . 0.332 5.9 t 62.95 -52.55 0.18 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 128.326 2.65 . . . . 0.0 117.305 174.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.6 p -50.75 122.52 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 120.828 -1.17 . . . . 0.0 112.097 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 146.35 52.17 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -177.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 mp 45.05 76.72 0.08 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 164.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 17.9 t -79.73 -179.46 6.92 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.478 1.511 . . . . 0.0 111.586 165.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.92 -58.7 6.53 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -166.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.7 p -63.18 -50.63 69.58 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -172.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 pm0 -63.24 -37.48 87.39 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.693 -1.254 . . . . 0.0 111.798 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.13 -44.84 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.308 -0.87 . . . . 0.0 111.41 174.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.17 92.01 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 122.396 1.093 . . . . 0.0 111.212 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.6 HG12 ' CE2' ' B' ' 79' ' ' TYR 0.252 11.9 t -74.73 -28.65 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 120.707 -1.246 . . . . 0.0 112.25 -179.006 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -37.4 62.75 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.556 -1.34 . . . . 0.0 112.605 168.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -69.31 -52.54 26.33 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 72.3 mt -49.98 -42.67 49.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.703 -1.248 . . . . 0.0 111.935 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.648 ' CE1' HD12 ' A' ' 124' ' ' LEU . 25.7 m-85 -55.28 -57.5 11.54 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.627 -1.295 . . . . 0.0 113.391 172.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -77.71 -31.92 52.64 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 120.128 1.331 . . . . 0.0 113.69 -171.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -48.09 -45.59 32.83 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.949 1.357 . . . . 0.0 111.203 158.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.3 t -75.39 -5.78 46.65 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.326 1.05 . . . . 0.0 113.528 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 57.28 57.3 4.55 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.86 2.464 . . . . 0.0 112.648 -167.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 85.5 mt -115.98 100.85 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 124.243 1.017 . . . . 0.0 111.231 169.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.96 75.14 4.5 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.471 0.653 . . . . 0.0 109.963 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 30.4 mm -37.83 127.97 0.95 Allowed Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 126.008 1.723 . . . . 0.0 113.425 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -53.27 145.21 45.42 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.282 2.655 . . . . 0.0 112.707 168.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -51.38 -44.81 62.25 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.838 -0.539 . . . . 0.0 111.068 166.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -56.02 -41.92 75.67 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.031 1.333 . . . . 0.0 112.823 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 20.2 mm -54.38 -53.18 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 120.513 -1.367 . . . . 0.0 111.398 169.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.28 -47.98 90.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.715 0.806 . . . . 0.0 110.322 -176.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -47.38 -59.23 3.35 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.427 1.491 . . . . 0.0 112.059 170.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -54.79 -53.67 52.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.576 1.15 . . . . 0.0 110.547 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -51.17 69.13 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.315 -0.866 . . . . 0.0 112.919 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 67.2 t -56.28 -38.62 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.968 1.307 . . . . 0.0 111.877 174.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.57 -59.28 5.45 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.288 -0.882 . . . . 0.0 111.781 170.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -61.68 -64.59 0.89 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.811 -1.18 . . . . 0.0 112.266 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 69.94 84.19 0.15 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.552 2.341 . . . . 0.0 114.039 -172.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.51 164.56 23.81 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.813 0.845 . . . . 0.0 111.07 169.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -80.01 -61.57 1.95 Allowed 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.649 -1.282 . . . . 0.0 110.067 -162.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 20.3 p -105.72 166.08 10.71 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -173.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -48.63 -42.25 33.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.747 2.419 . . . . 0.0 111.846 171.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.91 -47.08 87.25 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.34 -0.85 . . . . 0.0 112.052 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.29 -44.77 78.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.528 -0.733 . . . . 0.0 111.312 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.1 m -65.76 -40.53 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.171 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.605 HD13 ' HD2' ' A' ' 126' ' ' ARG 0.283 1.3 pp -62.86 -36.76 84.35 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.405 1.457 . . . . 0.0 112.722 174.666 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ASN . . . . . 0.55 ' N ' HD12 ' B' ' 106' ' ' LEU . 92.3 m-20 -59.78 -60.2 4.21 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.132 0.878 . . . . 0.0 111.601 173.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -59.02 -51.42 70.15 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.064 0.546 . . . . 0.0 111.557 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.1 mt -54.29 -54.26 22.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.359 -0.838 . . . . 0.0 111.494 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.2 -37.72 72.6 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.482 -1.386 . . . . 0.0 112.669 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.0 m -59.88 -57.63 12.05 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.735 -0.603 . . . . 0.0 111.629 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.76 -36.72 79.64 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.995 -1.065 . . . . 0.0 113.165 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -56.8 -45.76 82.02 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.046 -1.659 . . . . 0.0 110.988 167.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.281 99.6 m -61.32 -46.88 88.45 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.561 -1.337 . . . . 0.0 113.72 176.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -46.77 -60.48 2.38 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.379 0.536 . . . . 0.0 111.259 161.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -49.94 -44.87 50.77 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.294 18.8 pttm -61.08 -41.6 96.95 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.128 -1.608 . . . . 0.0 112.968 172.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.5 -47.2 84.91 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.71 1.141 . . . . 0.0 112.37 171.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -52.86 -48.33 67.15 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.48 -1.387 . . . . 0.0 111.879 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -76.72 -11.56 59.86 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -84.82 -43.25 14.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.373 1.869 . . . . 0.0 111.597 167.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -52.96 145.88 12.01 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -171.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 119.87 5.33 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 129.911 3.284 . . . . 0.0 113.614 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.1 tp -118.65 121.73 40.85 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 150.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.72 18.55 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.24 -57.64 0.23 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.839 2.055 . . . . 0.0 114.11 -173.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.64 -92.91 0.62 Allowed Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.507 -0.746 . . . . 0.0 112.622 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.8 t -80.15 55.29 2.14 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.463 1.131 . . . . 0.0 113.133 -174.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 28.1 tp -67.86 153.06 44.53 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.763 1.625 . . . . 0.0 112.611 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 5.8 mptt . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 124.734 1.214 . . . . 0.0 110.599 168.231 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.5 p80 . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 121.242 0.544 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.2 ttp -78.56 53.67 1.35 Allowed 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.954 -1.091 . . . . 0.0 111.438 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -83.65 -169.2 2.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.954 1.302 . . . . 0.0 112.742 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -137.3 56.13 1.79 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.373 1.069 . . . . 0.0 111.066 169.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.5 m -152.64 -51.49 0.11 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.477 1.111 . . . . 0.0 110.747 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.15 9.67 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 126.553 1.941 . . . . 0.0 113.164 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -69.76 55.61 0.13 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.188 1.795 . . . . 0.0 114.659 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.89 103.58 1.84 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.331 1.052 . . . . 0.0 109.212 166.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.14 173.69 2.98 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.242 0.617 . . . . 0.0 111.113 167.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.41 72.88 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -165.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.0 p -61.4 -53.34 57.86 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.468 -0.77 . . . . 0.0 112.842 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -63.53 -38.43 91.09 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.163 -1.586 . . . . 0.0 112.834 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -44.81 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 O-C-N 120.912 -1.117 . . . . 0.0 111.356 176.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.83 87.56 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 122.032 0.92 . . . . 0.0 110.962 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.86 -27.7 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 121.234 -0.916 . . . . 0.0 111.584 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.43 -30.22 63.08 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.915 -1.115 . . . . 0.0 112.731 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.86 -50.85 72.47 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 166.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.29 -41.75 72.72 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.009 -1.057 . . . . 0.0 111.683 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.629 ' CE1' HD12 ' B' ' 124' ' ' LEU . 20.8 m-85 -51.85 -61.71 2.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.066 1.303 . . . . 0.0 113.353 169.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -72.55 -37.89 68.12 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.13 1.332 . . . . 0.0 112.401 -171.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.12 -33.11 70.48 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.504 -1.373 . . . . 0.0 112.222 167.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 p -75.96 -15.69 60.12 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.02 -1.675 . . . . 0.0 113.798 169.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 66.15 59.09 0.69 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 129.401 3.081 . . . . 0.0 113.23 -167.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.8 mt -119.13 118.5 57.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 125.885 1.674 . . . . 0.0 109.878 164.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.7 ttp85 -80.18 150.16 30.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.849 0.833 . . . . 0.0 110.723 165.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.0 mm -109.44 129.05 24.36 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.096 1.758 . . . . 0.0 109.937 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.55 138.12 73.64 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.465 2.11 . . . . 0.0 111.114 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.7 m -50.73 -34.46 27.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.167 0.987 . . . . 0.0 112.666 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.8 -44.95 63.69 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.209 -0.932 . . . . 0.0 113.495 172.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 mm -55.87 -48.91 77.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 O-C-N 120.88 -1.137 . . . . 0.0 110.109 173.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.37 -46.46 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -175.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -45.93 -58.93 3.14 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.576 1.15 . . . . 0.0 112.413 169.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -63.38 -59.49 4.62 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.685 0.755 . . . . 0.0 109.993 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -43.59 66.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.217 1.007 . . . . 0.0 112.955 -175.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.2 t -48.63 -49.37 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 O-C-N 120.992 -1.068 . . . . 0.0 111.766 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -64.28 -50.8 66.49 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.911 1.285 . . . . 0.0 112.693 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -72.74 72.76 1.07 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 127.216 2.206 . . . . 0.0 109.675 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -70.2 72.42 0.45 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -170.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.21 163.69 12.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.502 1.921 . . . . 0.0 110.733 164.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -88.47 -65.46 1.02 Allowed 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.474 -0.766 . . . . 0.0 111.267 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.7 p -104.16 162.88 12.8 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -165.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.64 -42.26 11.19 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.996 2.118 . . . . 0.0 110.916 169.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -60.37 -46.26 90.59 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 121.297 -0.877 . . . . 0.0 111.994 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -68.09 -48.61 65.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.734 -0.604 . . . . 0.0 111.393 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 m -64.32 -38.09 81.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.8 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.256 1.2 pp -65.19 -36.97 85.85 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 118.218 -1.393 . . . . 0.0 111.852 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.53 -58.66 7.65 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 120.805 -1.184 . . . . 0.0 111.424 174.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -61.15 -51.69 68.0 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.214 0.605 . . . . 0.0 111.651 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.1 mt -53.3 -55.43 12.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 O-C-N 121.465 -0.772 . . . . 0.0 110.938 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.19 -34.79 64.19 Favored 'General case' 0 CA--C 1.554 1.113 0 O-C-N 120.968 -1.083 . . . . 0.0 112.035 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.9 m -65.61 -59.23 4.16 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.742 0.817 . . . . 0.0 113.173 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.09 -37.36 79.73 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.57 -1.331 . . . . 0.0 112.173 178.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 63.3 ttt-85 -57.06 -34.87 68.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.251 -1.531 . . . . 0.0 111.426 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.275 88.9 m -72.25 -35.83 68.91 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 119.988 -1.695 . . . . 0.0 114.337 169.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.02 -59.02 4.29 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.93 1.241 . . . . 0.0 110.67 159.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -52.95 -41.82 64.88 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -56.36 -55.02 38.65 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.734 -1.229 . . . . 0.0 112.17 173.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.26 -34.62 78.42 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.37 -63.64 1.1 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.689 -1.257 . . . . 0.0 110.32 168.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -62.04 -10.8 10.96 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -68.66 -44.48 74.01 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.137 1.375 . . . . 0.0 112.186 165.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -62.24 135.51 57.51 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.028 0.931 . . . . 0.0 111.998 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -112.03 129.8 56.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.024 1.73 . . . . 0.0 111.527 -171.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.65 101.5 5.0 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.969 -1.082 . . . . 0.0 109.595 170.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -75.75 43.51 0.26 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.234 1.413 . . . . 0.0 112.195 -176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? 65.38 -58.72 0.28 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.162 2.185 . . . . 0.0 115.814 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.33 -88.44 0.06 OUTLIER Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.081 0.848 . . . . 0.0 112.33 -171.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.2 t -74.67 80.15 2.03 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.695 -1.474 . . . . 0.0 111.648 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 10.3 mp -47.27 127.29 10.56 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.021 0.928 . . . . 0.0 112.286 172.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm . . . . . 0 N--CA 1.468 0.453 0 C-N-CA 124.06 0.944 . . . . 0.0 110.204 171.05 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 25.9 ttp 64.65 44.01 4.04 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 158.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.66 74.83 0.07 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.742 1.617 . . . . 0.0 111.133 160.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -61.18 -179.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.697 1.999 . . . . 0.0 112.153 169.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 91.1 m 69.22 -61.13 0.44 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.294 1.838 . . . . 0.0 111.672 -178.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 t -67.35 65.8 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 122.927 1.346 . . . . 0.0 109.441 159.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -73.46 148.89 42.77 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.923 1.289 . . . . 0.0 109.664 170.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 8.5 mp 54.26 70.92 0.56 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.272 1.034 . . . . 0.0 112.996 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.3 p -80.5 -179.95 7.43 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.203 -0.935 . . . . 0.0 112.374 166.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.39 -55.73 17.0 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -167.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -65.34 -50.92 63.77 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.428 -0.795 . . . . 0.0 113.072 -173.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -62.67 -38.02 88.71 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.864 1.211 . . . . 0.0 112.07 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.7 -48.77 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 121.295 -0.878 . . . . 0.0 111.47 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.29 -42.18 81.25 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 122.312 1.053 . . . . 0.0 111.403 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.574 HG12 ' CE2' ' B' ' 79' ' ' TYR . 13.4 t -73.58 -35.64 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 O-C-N 121.509 -0.744 . . . . 0.0 112.083 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.12 -34.96 72.65 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 172.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.04 -61.65 2.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 27.7 mt -55.95 -31.47 62.97 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.574 ' CE2' HG12 ' B' ' 75' ' ' VAL . 12.8 m-85 -56.29 -57.08 13.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.459 1.027 . . . . 0.0 111.769 168.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.34 -28.09 61.87 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.997 0.817 . . . . 0.0 112.659 -176.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -58.49 -37.79 76.28 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.401 -1.437 . . . . 0.0 111.434 161.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 38.2 m -77.99 4.57 11.85 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.785 -1.197 . . . . 0.0 113.361 168.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m120 48.17 55.59 8.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.886 2.074 . . . . 0.0 112.295 -170.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 42.3 mt -118.46 98.88 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.202 1.801 . . . . 0.0 111.404 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.03 114.46 9.11 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.72 -0.612 . . . . 0.0 109.782 176.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 47.0 mm -78.94 122.37 84.48 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 120.889 -1.132 . . . . 0.0 111.079 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.94 141.5 66.97 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.081 2.521 . . . . 0.0 112.13 170.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -48.45 -48.63 37.37 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.046 0.938 . . . . 0.0 112.48 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.11 -49.89 6.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.956 1.302 . . . . 0.0 113.888 171.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.11 -47.53 83.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 O-C-N 120.756 -1.215 . . . . 0.0 110.684 174.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 31.4 mt -59.93 -44.91 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 121.49 -0.756 . . . . 0.0 110.599 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -54.36 -60.59 3.14 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.025 1.33 . . . . 0.0 112.352 173.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -53.85 -53.22 55.52 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.415 1.486 . . . . 0.0 110.411 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -45.64 92.45 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.96 -1.087 . . . . 0.0 112.479 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.82 -30.64 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 O-C-N 120.677 -1.265 . . . . 0.0 112.6 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.33 -52.61 38.2 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.999 -1.063 . . . . 0.0 113.096 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -71.99 -38.92 69.58 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.248 -0.907 . . . . 0.0 113.073 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 27.31 84.7 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.848 2.859 . . . . 0.0 113.567 -170.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 mt -72.22 168.82 17.46 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.325 1.05 . . . . 0.0 110.773 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.07 -65.92 0.89 Allowed 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.808 -1.183 . . . . 0.0 110.177 -170.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.3 t -84.86 152.16 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -42.45 -41.79 3.04 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.8 0.81 . . . . 0.0 112.152 158.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -59.58 -45.88 90.57 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.295 -0.878 . . . . 0.0 111.583 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.38 -48.38 67.56 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.523 -0.735 . . . . 0.0 110.817 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 10.8 m -64.37 -39.27 84.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.967 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.2 pp -66.79 -39.63 87.85 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.131 1.332 . . . . 0.0 111.889 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -57.5 -57.83 10.98 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.735 0.698 . . . . 0.0 110.868 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -59.85 -52.32 65.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.493 0.717 . . . . 0.0 111.846 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.9 mt -53.52 -54.18 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 121.285 -0.885 . . . . 0.0 110.97 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.52 -37.39 70.39 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.671 -1.268 . . . . 0.0 112.019 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 55.4 m -62.15 -56.49 18.23 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.545 -0.722 . . . . 0.0 112.434 172.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.97 -34.92 78.53 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.822 -1.174 . . . . 0.0 112.771 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -59.51 -41.73 90.58 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.655 -1.903 . . . . 0.0 111.238 166.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.279 99.9 m -60.13 -44.08 95.2 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.367 -1.458 . . . . 0.0 114.144 171.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -48.63 -54.45 14.6 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.899 0.772 . . . . 0.0 111.137 162.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -53.68 -49.67 67.51 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.301 18.5 pttm -56.19 -36.47 68.43 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 121.207 1.822 . . . . 0.0 113.357 174.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.41 -49.87 67.61 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.455 1.025 . . . . 0.0 112.611 172.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -52.37 -40.62 62.25 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.152 -1.592 . . . . 0.0 112.535 171.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.13 -11.83 60.42 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.834 1.254 . . . . 0.0 113.237 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -94.28 -49.33 5.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.64 1.976 . . . . 0.0 111.794 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -40.35 145.76 0.16 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 -170.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 115.78 1.9 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.462 2.305 . . . . 0.0 114.34 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.629 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -104.51 128.39 52.43 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.106 0.866 . . . . 0.0 109.239 148.745 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -2.21 18.15 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.787 1.235 . . . . 0.0 113.877 172.321 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.479 ' H ' HD22 ' B' ' 124' ' ' LEU . 0.3 OUTLIER 70.99 -47.62 0.66 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.652 1.981 . . . . 0.0 114.606 178.21 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.27 -68.4 1.15 Allowed Glycine 0 CA--C 1.534 1.277 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -173.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 32.3 t -68.35 79.21 0.25 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 122.765 1.269 . . . . 0.0 110.37 164.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.76 52.04 0.51 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.395 1.478 . . . . 0.0 113.524 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 125.588 1.555 . . . . 0.0 114.218 174.47 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.5 m80 . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 121.099 0.476 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.8 mtp -77.83 58.44 1.88 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.114 1.366 . . . . 0.0 111.902 -175.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -151.24 161.29 42.99 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.117 0.967 . . . . 0.0 112.616 -176.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -48.46 91.05 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.732 2.013 . . . . 0.0 113.061 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.92 32.35 0.14 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -162.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -78.92 155.76 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.58 1.152 . . . . 0.0 111.089 172.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.59 134.72 23.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.312 1.445 . . . . 0.0 114.822 175.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 mp 49.2 70.0 0.52 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.023 1.329 . . . . 0.0 113.408 172.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -83.38 176.97 8.7 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.857 0.863 . . . . 0.0 112.467 166.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.82 -57.06 3.46 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.955 1.302 . . . . 0.0 114.328 -171.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.6 p -57.61 -61.92 2.16 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 pm0 -63.11 -30.84 71.91 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.365 -1.459 . . . . 0.0 112.778 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.42 -46.86 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 121.02 -1.05 . . . . 0.0 111.43 172.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.0 86.17 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 123.09 1.424 . . . . 0.0 111.394 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.677 HG21 HG23 ' A' ' 105' ' ' VAL . 4.2 t -67.11 -36.35 76.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 119.839 -1.788 . . . . 0.0 112.017 173.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.56 -30.36 67.08 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 167.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -47.07 71.93 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.675 -0.641 . . . . 0.0 110.095 176.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.549 ' HB3' HD11 ' B' ' 124' ' ' LEU . 10.1 mt -63.6 -38.16 90.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.539 -0.725 . . . . 0.0 110.373 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.697 ' CE1' HD12 ' B' ' 124' ' ' LEU . 13.7 m-85 -57.07 -59.12 5.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.096 -0.954 . . . . 0.0 113.568 171.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -69.42 -28.54 66.22 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 120.585 1.539 . . . . 0.0 112.416 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.01 -45.76 68.08 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.868 -1.145 . . . . 0.0 111.385 162.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 p -81.51 5.28 18.36 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 173.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 35.65 65.72 0.39 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.747 2.019 . . . . 0.0 114.355 -159.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.63 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 11.3 mt -110.45 107.2 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 120.635 -1.291 . . . . 0.0 112.295 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -82.45 140.01 33.65 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.766 -1.209 . . . . 0.0 110.996 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.5 mm -108.51 123.52 37.09 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.733 1.213 . . . . 0.0 110.683 -173.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.51 146.15 54.34 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.771 2.314 . . . . 0.0 112.087 169.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.9 p -53.77 -54.25 40.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.003 0.82 . . . . 0.0 112.085 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -32.63 -54.5 0.35 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.447 1.899 . . . . 0.0 114.211 172.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 43.1 mm -49.47 -55.93 3.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 O-C-N 121.514 -0.741 . . . . 0.0 110.49 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.88 -46.63 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 O-C-N 121.428 -0.795 . . . . 0.0 111.861 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -48.21 -54.67 12.69 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.735 2.014 . . . . 0.0 111.801 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.52 -58.08 6.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.482 -0.761 . . . . 0.0 111.192 170.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 108' ' ' TYR . 1.2 tm? -59.53 -41.34 89.78 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -163.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.7 t -46.97 -47.99 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.22 -0.925 . . . . 0.0 112.802 166.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -46.29 82.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.144 0.978 . . . . 0.0 111.673 174.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -60.6 -44.52 96.18 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.344 -0.848 . . . . 0.0 113.114 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 39.55 71.08 0.19 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.677 1.591 . . . . 0.0 111.947 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.53 166.06 7.19 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.396 -0.815 . . . . 0.0 112.005 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -81.46 -13.6 58.0 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -154.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -146.06 166.14 26.99 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.614 1.197 . . . . 0.0 113.202 169.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.09 -51.12 45.37 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.755 1.622 . . . . 0.0 111.182 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -57.26 -40.41 77.6 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.481 1.112 . . . . 0.0 111.794 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.95 -48.08 75.33 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.223 -0.923 . . . . 0.0 111.878 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.677 HG23 HG21 ' A' ' 75' ' ' VAL 0.278 23.2 m -62.36 -39.61 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.135 178.253 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.371 3.7 pp -66.43 -35.25 79.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 118.221 -1.391 . . . . 0.0 113.861 174.236 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -59.61 -57.02 14.75 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.955 -1.091 . . . . 0.0 111.597 172.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.435 ' CD2' HD23 ' A' ' 94' ' ' LEU . 88.7 t80 -54.53 -55.59 27.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.044 0.937 . . . . 0.0 111.781 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.4 mt -57.28 -51.81 64.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.196 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -49.05 -46.74 44.83 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.715 1.598 . . . . 0.0 111.776 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -57.86 -54.06 51.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.676 -0.64 . . . . 0.0 111.967 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -63.49 -34.86 78.7 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.035 -1.041 . . . . 0.0 113.556 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.63 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 40.5 mtp180 -54.63 -40.66 69.17 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 119.838 -1.789 . . . . 0.0 110.661 166.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.273 51.0 m -67.14 -36.65 82.31 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 171.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -51.11 -54.03 28.78 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 120.448 1.476 . . . . 0.0 111.287 163.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -56.57 -42.36 78.49 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.852 -1.155 . . . . 0.0 113.239 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -50.03 -49.21 51.75 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.615 -1.303 . . . . 0.0 110.651 170.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.89 -49.92 75.82 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 173.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -50.85 -38.5 49.44 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.329 -1.482 . . . . 0.0 112.424 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -75.97 -10.9 59.8 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.231 1.412 . . . . 0.0 113.444 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -103.19 -38.82 7.11 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.462 2.305 . . . . 0.0 112.528 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -43.89 148.52 0.38 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.955 1.302 . . . . 0.0 114.415 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 127.24 32.28 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.087 1.355 . . . . 0.0 113.908 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.5 tp -96.25 115.54 27.59 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.349 0.977 . . . . 0.0 108.455 149.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.39 31.78 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.492 ' NE ' HD13 ' B' ' 106' ' ' LEU . 13.0 mmp_? 59.69 -67.75 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.216 2.206 . . . . 0.0 115.63 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.84 -78.9 0.1 OUTLIER Glycine 0 CA--C 1.537 1.436 0 CA-C-N 119.045 0.838 . . . . 0.0 112.433 -174.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.8 p -74.91 66.23 1.51 Allowed 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.32 -1.106 . . . . 0.0 111.742 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 37.8 tp -72.61 64.64 0.64 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 122.271 1.034 . . . . 0.0 110.572 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 83.1 tttt . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 125.155 1.382 . . . . 0.0 110.424 -173.286 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 . . . . . 0 CA--C 1.54 0.56 0 CA-C-O 121.019 0.438 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -72.47 83.25 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.434 -0.791 . . . . 0.0 110.231 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -55.59 167.31 0.53 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -168.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.84 94.62 4.17 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.37 1.868 . . . . 0.0 108.18 166.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -43.11 -47.78 6.15 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -165.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 59.4 t -51.66 152.92 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 124.634 1.174 . . . . 0.0 113.606 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -57.0 141.37 45.86 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.393 1.077 . . . . 0.0 113.243 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 93.7 mt 54.75 70.92 0.57 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 173.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.8 t -88.17 -172.04 3.63 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.787 1.235 . . . . 0.0 112.545 163.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.33 -66.59 0.36 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -165.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 2.9 p -57.61 -49.61 75.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -64.7 -39.67 94.05 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.267 -0.896 . . . . 0.0 111.784 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.13 -47.82 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 120.915 -1.116 . . . . 0.0 111.42 172.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.97 74.03 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.255 1.026 . . . . 0.0 111.605 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.23 -38.0 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 121.651 -0.655 . . . . 0.0 112.732 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.31 -43.75 67.84 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.888 -1.132 . . . . 0.0 112.946 164.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.57 -50.17 68.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -48.1 -46.74 34.32 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.204 -0.935 . . . . 0.0 112.887 172.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.477 ' CE2' HG21 ' B' ' 109' ' ' ILE . 21.2 m-85 -49.33 -52.55 27.28 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.624 -1.298 . . . . 0.0 112.554 172.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.278 5.6 mm-40 -76.69 -26.37 54.68 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -53.28 -37.01 61.79 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.852 -1.78 . . . . 0.0 110.636 158.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 -1.55 54.56 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 172.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 42.69 77.42 0.06 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.396 2.678 . . . . 0.0 115.469 -157.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 23.7 mt -131.66 115.43 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 125.813 1.645 . . . . 0.0 110.417 170.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -75.2 144.64 42.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 119.011 -1.075 . . . . 0.0 111.229 164.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.41 126.65 28.46 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 125.651 1.58 . . . . 0.0 109.106 172.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -55.18 126.41 22.45 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.44 2.094 . . . . 0.0 112.249 169.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -31.98 -60.28 0.26 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.766 2.026 . . . . 0.0 113.806 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -29.72 -61.28 0.15 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.523 1.929 . . . . 0.0 114.783 172.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 pt -70.25 -29.29 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 120.894 -1.129 . . . . 0.0 113.529 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 20.5 mt -58.05 -46.84 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 119.827 1.194 . . . . 0.0 109.786 167.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.87 -58.98 5.76 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.095 0.558 . . . . 0.0 110.913 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.1 -48.03 64.97 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.09 -1.006 . . . . 0.0 110.752 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -50.0 72.57 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.72 -0.612 . . . . 0.0 111.712 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 46.0 t -53.62 -43.08 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.559 0.744 . . . . 0.0 112.231 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -59.46 -66.27 0.54 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.746 0.703 . . . . 0.0 111.543 171.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -86.0 51.4 2.2 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.041 -1.037 . . . . 0.0 112.494 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -70.2 132.85 46.4 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 120.993 -1.067 . . . . 0.0 113.056 -172.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 30.1 mt -87.71 -173.64 4.41 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.261 1.424 . . . . 0.0 111.809 -174.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.81 -44.48 15.46 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.659 -1.276 . . . . 0.0 112.533 -170.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -144.79 164.58 30.6 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -37.13 -47.39 0.76 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.883 2.473 . . . . 0.0 113.65 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -59.29 -46.93 87.22 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.423 -0.798 . . . . 0.0 112.053 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.63 -47.19 73.38 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.082 0.553 . . . . 0.0 110.644 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.78 -38.35 82.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.19 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LEU . . . . . 0.492 HD13 ' NE ' ' A' ' 126' ' ' ARG 0.27 0.9 OUTLIER -67.06 -35.43 79.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.567 1.53 . . . . 0.0 112.72 174.826 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ASN . . . . . 0.406 ' N ' HD12 ' B' ' 106' ' ' LEU . 86.5 m-20 -60.77 -56.62 19.1 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 122.488 1.137 . . . . 0.0 110.656 173.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -62.72 -47.24 84.43 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.769 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' B' ' 79' ' ' TYR . 90.3 mt -56.22 -48.07 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 O-C-N 120.959 -1.088 . . . . 0.0 112.343 176.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -53.56 -38.84 64.24 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.516 -1.365 . . . . 0.0 111.721 173.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 8.0 m -62.67 -56.53 16.84 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.402 -0.811 . . . . 0.0 112.768 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -50.44 -52.61 36.36 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.004 1.721 . . . . 0.0 112.964 175.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -64.87 -21.36 66.79 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 119.297 -2.127 . . . . 0.0 111.909 174.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.333 95.0 m -71.36 -38.26 71.59 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 119.846 -1.784 . . . . 0.0 114.194 164.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -51.14 -62.23 1.74 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.798 1.181 . . . . 0.0 111.329 159.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -56.46 -35.23 67.69 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.011 -1.055 . . . . 0.0 113.661 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -56.5 -51.71 67.49 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.645 -1.285 . . . . 0.0 111.684 171.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.57 -41.88 92.43 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.801 0.81 . . . . 0.0 112.278 177.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -51.13 -51.36 54.25 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.187 -1.571 . . . . 0.0 111.006 170.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -77.93 10.68 2.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.128 1.771 . . . . 0.0 113.811 174.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -97.51 -33.55 11.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.15 1.78 . . . . 0.0 111.342 166.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -53.19 129.69 32.1 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 118.561 0.619 . . . . 0.0 110.774 167.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -116.92 132.97 56.57 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.258 1.823 . . . . 0.0 111.182 -168.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.697 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -80.03 98.73 7.34 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.017 -1.052 . . . . 0.0 109.66 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -72.22 7.26 1.79 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.212 -1.555 . . . . 0.0 113.94 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 74.56 -53.83 0.67 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.235 1.814 . . . . 0.0 113.468 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.01 -56.72 3.14 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 121.439 -0.788 . . . . 0.0 112.712 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 29.1 t -146.4 174.93 10.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.258 1.023 . . . . 0.0 111.453 169.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 64.5 mt -81.92 62.37 5.67 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.092 0.957 . . . . 0.0 111.981 -176.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp . . . . . 0 CA--C 1.542 0.648 0 C-N-CA 123.123 0.569 . . . . 0.0 110.877 169.54 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 120.746 0.307 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.2 tpp -78.77 51.63 1.12 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.87 1.268 . . . . 0.0 113.826 -172.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -104.02 80.8 1.78 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.292 1.837 . . . . 0.0 111.548 -174.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -72.06 70.38 0.78 Allowed 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.405 -1.434 . . . . 0.0 112.191 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.5 t -108.62 -167.31 1.21 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.85 1.26 . . . . 0.0 110.356 167.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.7 t -71.7 67.97 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-O 122.246 1.022 . . . . 0.0 109.343 170.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -99.06 132.74 44.15 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -164.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 tp -145.64 73.63 1.35 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.102 1.361 . . . . 0.0 107.492 146.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.8 m -66.22 165.68 13.37 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.156 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.22 -56.52 1.19 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -174.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.22 -55.99 27.83 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -66.95 -36.55 82.47 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 119.632 -1.917 . . . . 0.0 112.798 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -35.98 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 O-C-N 120.45 -1.406 . . . . 0.0 111.816 174.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.6 -35.98 62.98 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.354 1.062 . . . . 0.0 112.171 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.449 HG21 HG23 ' A' ' 105' ' ' VAL . 0.3 OUTLIER -63.93 -40.48 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 118.958 -2.339 . . . . 0.0 110.066 172.473 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.1 mt -52.62 -23.29 6.24 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 168.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -41.73 39.84 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.795 -1.191 . . . . 0.0 110.677 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.1 mt -53.24 -41.69 65.68 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 119.879 -1.763 . . . . 0.0 110.372 169.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.423 ' CD1' HD11 ' A' ' 86' ' ' ILE . 62.5 m-85 -57.86 -60.24 4.01 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.177 -0.952 . . . . 0.0 112.952 172.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -85.53 -27.56 25.5 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -54.53 -20.29 7.54 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 119.863 -1.773 . . . . 0.0 111.76 158.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.46 -4.27 25.66 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.382 -1.449 . . . . 0.0 113.607 171.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 39.49 67.95 0.41 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.77 2.028 . . . . 0.0 115.234 -158.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.9 mt -99.44 117.44 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.39 0.676 . . . . 0.0 111.224 150.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -66.57 136.92 56.33 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 164.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 79' ' ' TYR . 18.0 mm -105.94 125.62 32.7 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.839 1.255 . . . . 0.0 110.182 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.34 131.48 45.06 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.975 1.783 . . . . 0.0 110.996 172.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.7 m -43.95 -42.13 5.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.182 1.393 . . . . 0.0 112.176 173.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.04 -45.88 52.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 172.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 mm -52.26 -48.68 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 121.023 -1.048 . . . . 0.0 110.017 171.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.2 mt -66.09 -43.98 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 121.989 -0.444 . . . . 0.0 110.355 -174.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -54.75 -52.76 61.52 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.637 0.653 . . . . 0.0 111.991 171.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -59.14 -47.86 83.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.439 1.096 . . . . 0.0 111.146 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -63.01 -40.59 98.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 120.258 -1.526 . . . . 0.0 112.125 177.08 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.69 24.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 124.243 1.017 . . . . 0.0 111.912 167.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -125.29 -53.85 1.6 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.693 2.397 . . . . 0.0 110.211 159.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -78.65 62.41 3.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.612 1.165 . . . . 0.0 109.615 173.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -73.78 81.98 1.61 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -166.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.09 170.97 3.21 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.516 1.527 . . . . 0.0 112.597 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -87.22 -64.15 1.19 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.22 -0.925 . . . . 0.0 111.944 -171.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.6 p -105.26 159.67 15.7 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -168.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -45.78 -40.91 10.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.228 1.011 . . . . 0.0 113.358 172.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -48.33 82.04 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.857 0.837 . . . . 0.0 110.891 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.14 -50.26 72.58 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.064 -1.023 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.449 HG23 HG21 ' A' ' 75' ' ' VAL . 18.4 m -61.6 -39.5 83.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 119.984 -0.687 . . . . 0.0 110.562 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 107' ' ' ASN 0.302 1.3 pp -64.63 -37.01 86.11 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.548 -1.345 . . . . 0.0 113.438 174.738 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.466 ' N ' HD12 ' A' ' 106' ' ' LEU . 27.9 m120 -58.33 -55.03 40.32 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.777 1.171 . . . . 0.0 110.569 173.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -57.81 -50.49 73.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.847 0.859 . . . . 0.0 112.341 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.92 -50.95 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.306 -0.872 . . . . 0.0 111.224 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.67 70.15 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.42 -1.425 . . . . 0.0 112.451 177.757 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.3 m -62.09 -61.15 2.68 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 112.263 172.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.22 -34.51 73.75 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.777 -1.202 . . . . 0.0 112.922 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -59.41 -42.29 91.47 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 119.903 -1.748 . . . . 0.0 111.59 168.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.293 85.5 m -60.07 -44.44 94.74 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.558 -1.339 . . . . 0.0 113.252 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -48.73 -60.48 2.69 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 118.99 -0.528 . . . . 0.0 111.558 160.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -51.18 -43.61 61.35 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.257 18.3 pttm -59.66 -45.97 90.43 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.217 -1.552 . . . . 0.0 112.614 172.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.45 -41.34 98.67 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.485 1.039 . . . . 0.0 112.316 175.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -53.92 -47.94 70.69 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.301 -1.499 . . . . 0.0 111.259 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -76.24 0.36 19.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -93.1 -32.19 14.53 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.17 1.788 . . . . 0.0 112.009 171.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -52.92 137.17 33.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.81 134.8 56.59 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 128.526 2.73 . . . . 0.0 115.464 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.62 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -114.97 111.93 21.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.112 0.965 . . . . 0.0 109.525 157.223 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -60.49 -46.07 91.44 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -177.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 66.32 87.37 0.12 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.771 1.628 . . . . 0.0 113.679 -174.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -73.21 -56.56 5.62 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.595 167.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m -72.13 60.91 0.43 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.359 1.464 . . . . 0.0 114.356 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.9 mt -71.05 76.21 0.66 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.969 0.89 . . . . 0.0 111.428 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 CA--C 1.54 0.564 0 O-C-N 120.891 -1.131 . . . . 0.0 111.086 -178.462 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 120.971 0.415 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.7 ttt -70.28 90.53 0.69 Allowed 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.92 -1.113 . . . . 0.0 112.345 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.2 167.5 0.08 Allowed 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 175.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -134.08 161.99 33.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.16 2.184 . . . . 0.0 110.692 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 2.6 m -56.47 -20.42 19.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -173.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -78.47 -16.32 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 124.108 0.963 . . . . 0.0 112.639 176.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -80.01 156.46 27.15 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.834 1.253 . . . . 0.0 113.267 -167.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 83.9 mt 33.05 67.49 0.17 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.236 1.814 . . . . 0.0 114.569 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 42.0 p -93.59 -177.09 4.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.012 1.725 . . . . 0.0 111.015 168.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.05 -66.05 0.32 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -170.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.1 p -59.21 -51.69 68.91 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.65 -51.68 62.38 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.71 1.141 . . . . 0.0 111.528 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 74.4 t -58.24 -39.96 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.624 0.769 . . . . 0.0 111.886 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.77 96.04 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.927 0.87 . . . . 0.0 111.553 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.573 HG12 ' CE2' ' B' ' 79' ' ' TYR . 5.4 t -79.46 -33.35 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 O-C-N 120.984 -1.072 . . . . 0.0 112.441 -177.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.47 -41.88 3.09 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.12 1.368 . . . . 0.0 113.083 161.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.94 -50.32 35.9 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.867 -0.521 . . . . 0.0 110.301 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 95.2 mt -49.82 -37.72 31.67 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.902 -1.124 . . . . 0.0 111.76 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.62 ' CE1' HD12 ' A' ' 124' ' ' LEU . 43.5 m-85 -57.84 -60.71 3.28 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 120.555 -1.341 . . . . 0.0 113.078 169.008 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -81.91 -35.52 29.07 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 121.534 1.97 . . . . 0.0 114.356 -170.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -59.59 -21.88 60.98 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.221 -1.549 . . . . 0.0 112.301 163.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 18.3 t -75.66 -51.3 13.1 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 119.809 -1.807 . . . . 0.0 112.576 160.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 129.2 31.74 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.769 1 C-N-CA 132.097 4.159 . . . . 0.0 114.147 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.76 117.64 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.213 1.805 . . . . 0.0 113.573 -176.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -79.33 118.03 20.87 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.722 0.773 . . . . 0.0 110.972 168.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.89 110.89 36.35 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.682 1.593 . . . . 0.0 110.043 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -65.5 149.15 88.04 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 121.091 1.194 . . . . 0.0 110.913 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 76.0 p -59.72 -32.94 71.01 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -168.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.39 -46.92 26.42 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.818 0.847 . . . . 0.0 113.119 167.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.94 -49.57 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 O-C-N 120.93 -1.106 . . . . 0.0 109.806 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.2 mt -61.83 -40.63 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.893 0.877 . . . . 0.0 110.209 -174.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.25 -69.95 0.14 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.661 0.785 . . . . 0.0 111.923 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.47 -35.74 60.89 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.418 1.487 . . . . 0.0 111.046 -173.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -67.46 0.43 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.171 1.388 . . . . 0.0 111.602 170.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.17 -30.43 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 O-C-N 121.013 -1.055 . . . . 0.0 113.677 -160.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 33.0 p30 -56.24 -42.79 77.9 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.34 -8.09 54.38 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 173.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 58.51 71.49 0.58 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 168.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.57 164.27 23.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.004 0.922 . . . . 0.0 111.914 167.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -114.3 -38.53 4.07 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -170.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 34.1 t -107.51 145.06 33.61 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -43.16 -40.01 3.1 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.924 1.69 . . . . 0.0 111.969 164.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.01 -46.54 87.17 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.063 -1.023 . . . . 0.0 112.403 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.33 -44.72 90.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.213 -0.929 . . . . 0.0 110.897 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 m -66.43 -42.75 90.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.076 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.267 2.9 pp -62.66 -38.98 92.45 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.501 1.5 . . . . 0.0 112.386 176.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -62.29 -58.02 9.25 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.861 0.838 . . . . 0.0 110.867 176.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -53.9 -56.12 20.66 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.056 0.942 . . . . 0.0 111.332 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.401 HD13 ' CE2' ' B' ' 79' ' ' TYR . 85.2 mt -53.81 -53.94 23.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 C-N-CA 123.333 0.653 . . . . 0.0 110.707 -178.67 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.49 -37.54 73.12 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.722 -1.236 . . . . 0.0 112.559 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.5 m -60.53 -57.74 11.45 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.431 -0.793 . . . . 0.0 111.947 170.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -56.49 -39.87 74.0 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.142 1.777 . . . . 0.0 112.679 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -55.85 -42.18 75.42 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 119.895 -1.753 . . . . 0.0 111.31 167.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.4 m -71.4 -43.64 66.42 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.269 -1.519 . . . . 0.0 113.975 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -47.05 -52.57 14.71 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.704 0.684 . . . . 0.0 111.117 160.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -57.71 -39.0 76.21 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -54.73 -52.47 62.4 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.844 -1.16 . . . . 0.0 110.607 168.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.4 mt -55.68 -50.54 69.99 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -52.52 -45.41 66.27 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.052 -1.655 . . . . 0.0 112.448 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -72.62 -14.91 61.71 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 119.91 -1.744 . . . . 0.0 114.517 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -85.18 -35.08 21.91 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.461 1.905 . . . . 0.0 112.124 171.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -48.39 129.27 15.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.9 0.88 . . . . 0.0 112.923 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.23 150.53 0.13 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.719 2.008 . . . . 0.0 114.08 167.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.4 tt -134.17 117.76 16.89 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 153.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -69.45 15.12 0.08 Allowed 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -176.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? 68.49 -49.22 0.56 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.694 1.998 . . . . 0.0 116.179 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.83 21.87 73.44 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 118.741 0.7 . . . . 0.0 112.161 -165.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 50.7 m 46.06 -99.14 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.742 1.617 . . . . 0.0 113.698 -175.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 61.6 mt -81.21 60.69 4.43 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.094 0.957 . . . . 0.0 111.626 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 CA--C 1.535 0.398 0 C-N-CA 123.992 0.917 . . . . 0.0 111.537 177.461 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.8 p80 . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.7 ttm 33.48 75.03 0.05 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.152 2.181 . . . . 0.0 115.454 173.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.53 77.47 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.056 1.743 . . . . 0.0 113.757 -172.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 65.57 1.13 Allowed 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.665 -1.272 . . . . 0.0 110.755 178.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.7 p -73.16 -84.39 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.553 1.541 . . . . 0.0 111.478 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.49 -131.87 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 125.437 1.495 . . . . 0.0 111.038 -172.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -116.61 65.25 0.71 Allowed 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.174 -1.579 . . . . 0.0 111.939 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.98 96.56 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.81 0.844 . . . . 0.0 111.806 172.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 p -82.49 -179.27 7.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.243 1.017 . . . . 0.0 111.001 168.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.7 29.7 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -160.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.7 p -59.7 -55.0 39.87 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.041 -1.037 . . . . 0.0 113.546 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 pm0 -65.24 -37.58 87.69 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.483 -1.385 . . . . 0.0 112.122 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -42.84 97.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.168 -0.957 . . . . 0.0 111.515 174.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.05 93.47 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.071 0.939 . . . . 0.0 112.28 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.61 -30.08 47.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 120.964 -1.085 . . . . 0.0 111.011 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 8.2 tp -75.2 -30.22 60.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.791 1.236 . . . . 0.0 112.417 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.02 -48.63 78.03 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.128 -0.983 . . . . 0.0 109.023 164.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HB3' HD21 ' B' ' 124' ' ' LEU . 1.2 mt -58.34 -38.17 76.61 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.714 -1.241 . . . . 0.0 113.167 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.725 ' CE1' HD12 ' B' ' 124' ' ' LEU . 19.4 m-85 -53.82 -46.78 71.25 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.106 -1.621 . . . . 0.0 113.13 167.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.47 -38.76 62.83 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 120.071 1.305 . . . . 0.0 112.858 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -48.31 -42.89 32.32 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.021 -1.049 . . . . 0.0 110.881 162.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.456 ' OG ' HD23 ' B' ' 124' ' ' LEU . 70.8 m -76.99 -13.45 59.96 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 54.69 76.89 0.22 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.943 2.097 . . . . 0.0 112.243 -162.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.7 mt -133.99 142.25 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.893 1.677 . . . . 0.0 111.472 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.408 ' H ' ' CD ' ' B' ' 119' ' ' GLU . 45.0 ttt180 -108.71 130.91 55.36 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.146 1.779 . . . . 0.0 110.751 169.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.8 mm -103.21 116.23 62.62 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 124.596 1.158 . . . . 0.0 111.214 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -48.06 127.83 15.64 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.328 2.685 . . . . 0.0 112.977 168.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.7 p -39.81 -51.22 2.41 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.133 2.173 . . . . 0.0 113.408 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -38.36 -57.62 1.1 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.82 1.648 . . . . 0.0 113.911 175.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.5 pt -69.46 -29.37 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 120.784 -1.198 . . . . 0.0 113.488 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.79 -45.43 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 O-C-N 120.913 -1.117 . . . . 0.0 110.252 168.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.62 -64.64 0.77 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.271 1.028 . . . . 0.0 110.715 175.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -51.98 -49.82 62.5 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 122.349 1.071 . . . . 0.0 110.759 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -52.42 53.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.874 175.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.37 -38.0 72.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 118.34 -0.838 . . . . 0.0 112.847 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -58.71 -55.12 39.18 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.732 1.151 . . . . 0.0 112.083 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -62.96 -38.34 90.72 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.389 -0.82 . . . . 0.0 112.162 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.24 53.61 2.2 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.566 1.146 . . . . 0.0 113.687 167.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.79 179.52 0.49 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.564 1.146 . . . . 0.0 112.064 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -121.38 -33.72 3.6 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -170.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.4 t -100.55 145.89 27.77 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.099 -1.001 . . . . 0.0 113.09 -176.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -47.53 -42.28 23.01 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.29 -0.881 . . . . 0.0 112.53 166.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -63.05 -37.61 87.88 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.93 -1.106 . . . . 0.0 113.089 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -67.58 -55.6 12.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.061 -0.4 . . . . 0.0 110.685 176.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.29 -37.33 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.063 -174.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.544 HD13 ' HD3' ' B' ' 126' ' ' ARG . 1.1 pp -65.61 -38.34 89.16 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 120.596 -1.315 . . . . 0.0 112.186 174.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.267 2.5 p30 -73.42 -45.55 53.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 117.897 -1.521 . . . . 0.0 111.315 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -56.8 -58.03 9.89 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 122.993 0.517 . . . . 0.0 111.501 172.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 71.3 mt -50.92 -56.51 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 O-C-N 121.477 -0.764 . . . . 0.0 110.839 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -29.69 70.3 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.092 -1.005 . . . . 0.0 112.47 -176.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.1 m -63.17 -55.29 26.37 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.131 -0.981 . . . . 0.0 112.468 168.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -64.05 -35.29 80.25 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.528 -1.357 . . . . 0.0 110.9 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -57.55 -36.69 71.97 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 119.772 -1.83 . . . . 0.0 111.909 167.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 85.2 m -66.2 -43.75 85.87 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.436 -1.415 . . . . 0.0 113.246 171.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -47.59 -51.86 19.75 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.682 0.673 . . . . 0.0 110.899 163.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -57.87 -40.96 81.47 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -52.22 -55.06 23.6 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.075 1.307 . . . . 0.0 110.145 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -57.58 -52.07 66.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.765 0.426 . . . . 0.0 112.105 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -45.05 -44.1 9.9 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.294 -1.504 . . . . 0.0 113.47 169.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -82.27 -12.07 58.26 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.767 -1.208 . . . . 0.0 113.424 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -81.37 -34.53 31.67 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.005 2.122 . . . . 0.0 111.604 170.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -51.61 149.25 4.61 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.096 0.559 . . . . 0.0 111.988 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -119.73 126.41 51.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.208 1.403 . . . . 0.0 111.825 -171.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.48 103.5 12.88 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.245 0.93 . . . . 0.0 109.959 171.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -69.38 1.91 3.47 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.6 1.16 . . . . 0.0 114.032 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 70.85 -61.05 0.49 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.497 1.919 . . . . 0.0 112.794 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.43 -73.02 0.6 Allowed Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.236 0.446 . . . . 0.0 112.147 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.8 t -69.84 146.92 50.97 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.991 -0.711 . . . . 0.0 111.915 171.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -68.36 168.82 11.8 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 122.02 -0.425 . . . . 0.0 111.223 161.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 59.8 tttm . . . . . 0 CA--C 1.54 0.571 0 O-C-N 121.352 -0.843 . . . . 0.0 111.841 -177.194 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 121.377 0.608 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -80.47 51.03 1.38 Allowed 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.376 -1.452 . . . . 0.0 112.228 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.93 177.05 5.56 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.655 1.582 . . . . 0.0 112.163 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.78 46.06 1.02 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.822 0.82 . . . . 0.0 111.151 168.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 71.4 p -75.2 -114.09 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.058 -1.026 . . . . 0.0 110.727 177.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 11.7 p -63.23 -35.07 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.666 0.786 . . . . 0.0 110.369 164.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -34.16 115.35 0.24 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.016 1.726 . . . . 0.0 111.413 161.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt 65.29 89.71 0.09 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.187 0.995 . . . . 0.0 113.162 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 10.1 t -102.26 -178.99 3.86 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.661 1.585 . . . . 0.0 112.012 165.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.02 -66.91 0.2 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.232 1.813 . . . . 0.0 115.58 -167.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.2 p -58.09 -57.5 12.58 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -61.17 -31.57 71.31 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.957 1.253 . . . . 0.0 113.121 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.13 -51.55 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.103 -0.998 . . . . 0.0 111.169 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.61 77.03 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 123.17 1.462 . . . . 0.0 111.607 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.61 -31.44 52.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 121.088 -1.008 . . . . 0.0 112.212 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -29.89 65.74 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 169.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.32 -51.41 12.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.23 -43.11 64.11 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.482 -1.386 . . . . 0.0 111.952 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -52.79 -46.65 67.73 Favored 'General case' 0 C--O 1.227 -0.112 0 O-C-N 120.622 -1.299 . . . . 0.0 112.45 170.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -79.02 -25.89 43.24 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.62 -30.92 67.64 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 119.454 -2.029 . . . . 0.0 111.441 156.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -85.41 0.48 52.08 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 120.422 -1.424 . . . . 0.0 113.579 167.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.7 m120 41.65 60.79 2.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.667 2.787 . . . . 0.0 114.736 -163.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 11.0 mt -123.85 91.61 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.533 1.533 . . . . 0.0 112.409 -173.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 33.1 ttp85 -67.07 137.86 56.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.614 -1.304 . . . . 0.0 111.144 -177.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ILE . . . . . 0.459 HD13 ' NH1' ' B' ' 113' ' ' ARG . 33.4 mm -99.65 115.59 65.5 Favored Pre-proline 0 CA--C 1.545 0.775 0 O-C-N 120.082 -1.636 . . . . 0.0 111.22 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.559 ' HD3' HH12 ' B' ' 113' ' ' ARG . 32.0 Cg_exo -53.6 141.2 64.12 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.392 2.061 . . . . 0.0 110.446 168.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t -56.28 -17.31 7.26 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.764 -0.585 . . . . 0.0 112.317 171.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.78 -10.62 57.96 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 129.869 3.268 . . . . 0.0 112.113 -176.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 mm -75.4 -52.14 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 120.244 -1.535 . . . . 0.0 108.884 154.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 71.0 mt -66.59 -30.92 51.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 124.352 1.061 . . . . 0.0 111.536 -169.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.22 -55.27 4.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.81 2.444 . . . . 0.0 111.931 169.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -72.93 -67.35 0.57 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.274 1.829 . . . . 0.0 110.699 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -52.76 11.01 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.87 1.268 . . . . 0.0 113.147 -159.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 83.6 t -53.02 -34.41 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.452 1.101 . . . . 0.0 113.306 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -69.67 -49.58 52.26 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.093 0.557 . . . . 0.0 112.137 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.18 69.6 2.74 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.737 1.256 . . . . 0.0 110.215 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -56.0 77.38 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.752 2.021 . . . . 0.0 115.66 -166.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.96 156.75 20.22 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.328 -0.858 . . . . 0.0 111.365 170.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -87.51 -55.28 3.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.485 1.514 . . . . 0.0 111.64 -168.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 44.0 t -106.02 150.69 25.5 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -167.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -32.31 -53.57 0.31 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.971 2.108 . . . . 0.0 111.7 156.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -61.4 -42.07 98.15 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.226 -0.922 . . . . 0.0 112.019 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -69.27 -46.83 66.29 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 123.877 0.871 . . . . 0.0 111.211 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.12 -42.28 95.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.975 176.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.296 3.6 pp -65.81 -35.76 81.59 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.148 1.34 . . . . 0.0 112.984 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.35 -58.8 6.94 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.146 -0.971 . . . . 0.0 111.222 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -60.89 -44.55 96.95 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.793 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 85.4 mt -58.71 -52.45 59.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 O-C-N 120.864 -1.147 . . . . 0.0 112.278 173.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.88 -45.08 50.26 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 121.128 1.785 . . . . 0.0 110.982 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 11.5 m -57.01 -53.71 55.04 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.471 -0.768 . . . . 0.0 113.031 173.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.7 -27.88 69.21 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.703 -1.248 . . . . 0.0 113.422 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.559 HH12 ' HD3' ' B' ' 87' ' ' PRO . 66.6 mtp85 -68.33 -24.45 64.83 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 119.871 -1.768 . . . . 0.0 111.718 167.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.4 23.5 m -70.69 -40.14 73.09 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.637 -1.914 . . . . 0.0 114.995 161.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -51.73 -63.08 1.25 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 120.807 1.639 . . . . 0.0 111.518 162.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -55.16 -39.83 69.94 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -49.44 77.57 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.61 1.55 . . . . 0.0 112.097 170.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.66 -42.02 98.34 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.253 0.933 . . . . 0.0 111.95 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 85' ' ' ARG . 1.4 tm-20 -55.34 -49.31 72.56 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 123.475 1.607 . . . . 0.0 111.503 171.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.62 -33.61 73.03 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.125 -1.609 . . . . 0.0 112.778 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -75.54 -13.48 60.36 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.519 1.928 . . . . 0.0 113.631 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -76.49 45.17 0.38 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 -167.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER 32.53 103.97 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 130.734 3.613 . . . . 0.0 118.968 171.566 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.725 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -82.23 105.01 12.97 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.605 -1.309 . . . . 0.0 109.361 157.361 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -27.25 68.96 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.271 -0.893 . . . . 0.0 113.044 176.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.544 ' HD3' HD13 ' A' ' 106' ' ' LEU . 12.8 ptp180 47.22 29.94 1.32 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.944 2.098 . . . . 0.0 115.13 174.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 48.83 36.25 19.17 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.261 0.934 . . . . 0.0 113.108 -172.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 9.4 t 65.92 -65.97 0.17 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.826 1.25 . . . . 0.0 112.165 -163.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 85.8 mt -125.51 127.11 45.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.821 1.649 . . . . 0.0 108.526 166.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 21.2 tptt . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 124.704 1.201 . . . . 0.0 112.056 -169.449 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.3 p80 . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.2 ttm 48.77 61.96 2.82 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.94 1.696 . . . . 0.0 113.141 -176.915 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.5 88.17 0.09 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 122.516 1.15 . . . . 0.0 111.651 176.34 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.22 55.78 0.21 Allowed 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.755 -1.216 . . . . 0.0 110.286 164.858 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 m 54.23 69.99 0.66 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.021 2.128 . . . . 0.0 112.717 -172.213 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -118.66 -66.89 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 123.96 0.904 . . . . 0.0 112.887 -175.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -83.78 51.59 2.06 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.644 -1.285 . . . . 0.0 113.934 -166.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.558 ' HB3' HG22 ' A' ' 73' ' ' VAL . 2.8 mm? -94.07 117.98 30.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.542 1.937 . . . . 0.0 111.211 -179.476 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.513 ' O ' HG23 ' A' ' 73' ' ' VAL . 7.7 t -98.63 174.27 6.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.478 1.911 . . . . 0.0 113.143 170.508 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -33.68 -67.1 0.14 Allowed 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -167.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -63.14 -51.05 68.04 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -176.162 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -65.89 -33.54 76.06 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.44 -1.413 . . . . 0.0 112.807 178.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' A' ' 68' ' ' LEU . 40.4 t -62.87 -52.35 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 120.877 -1.139 . . . . 0.0 110.254 171.244 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.85 71.82 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 122.609 1.195 . . . . 0.0 111.233 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.96 -40.5 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 O-C-N 121.351 -0.843 . . . . 0.0 111.875 174.312 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.2 -33.38 75.36 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 171.437 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.39 -55.09 13.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.96 0.886 . . . . 0.0 108.769 175.142 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.4 mt -49.86 -40.88 44.01 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.064 -1.023 . . . . 0.0 112.409 171.236 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -53.84 -56.57 16.42 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.324 -1.485 . . . . 0.0 113.035 171.467 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.55 -31.87 62.25 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.523 1.056 . . . . 0.0 112.927 -174.087 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -52.49 -44.17 65.47 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 120.202 -1.562 . . . . 0.0 111.366 160.418 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.6 t -73.25 -2.95 23.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.695 1.198 . . . . 0.0 113.868 174.132 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 62.51 46.04 5.9 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 129.47 3.108 . . . . 0.0 113.545 -175.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.2 mt -113.5 107.05 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.211 1.004 . . . . 0.0 112.081 173.585 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.74 118.18 16.39 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 165.838 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.3 mm -77.31 124.93 86.99 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 120.394 -1.441 . . . . 0.0 110.542 174.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.83 131.25 19.38 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 121.958 1.772 . . . . 0.0 110.123 170.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 m -47.92 -36.66 12.73 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.432 1.893 . . . . 0.0 113.677 -170.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.89 -45.22 15.1 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 173.074 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.3 mm -50.49 -51.9 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.671 0.748 . . . . 0.0 110.64 170.653 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.6 mt -68.71 -46.24 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.028 -171.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -49.83 -49.2 49.9 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.745 0.818 . . . . 0.0 112.447 177.229 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -63.12 -64.26 0.96 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.299 1.44 . . . . 0.0 110.968 173.038 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -47.32 81.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.071 0.948 . . . . 0.0 113.095 -169.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.97 -38.72 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 O-C-N 120.88 -1.138 . . . . 0.0 111.741 172.042 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -63.24 1.19 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.466 0.575 . . . . 0.0 111.287 171.33 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -84.66 63.94 8.23 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 122.437 1.113 . . . . 0.0 112.3 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -55.23 103.62 0.1 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.338 1.055 . . . . 0.0 113.235 -178.504 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.5 mt -73.85 177.55 5.48 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.176 0.989 . . . . 0.0 112.794 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -64.55 -43.29 94.41 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.798 0.839 . . . . 0.0 112.887 -161.156 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -178.13 172.23 1.61 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.674 0.79 . . . . 0.0 110.883 -158.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.544 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 3.9 mp0 -43.35 -62.28 1.11 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.605 1.962 . . . . 0.0 113.53 -165.812 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -56.37 -37.3 69.89 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.035 -176.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.631 ' CD ' ' HZ1' ' B' ' 130' ' ' LYS . 3.4 mp0 -77.46 -43.18 33.23 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 124.791 1.236 . . . . 0.0 110.921 -173.235 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.3 m -62.98 -44.48 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.667 168.786 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.36 -37.5 74.63 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.709 -1.244 . . . . 0.0 112.208 -174.146 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -51.03 -58.76 5.25 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.116 0.967 . . . . 0.0 110.869 167.344 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -53.02 -56.33 16.88 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 123.123 0.569 . . . . 0.0 111.611 178.317 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.0 mt -53.46 -47.15 59.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.284 1.034 . . . . 0.0 111.724 178.231 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.79 -37.7 76.9 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 119.745 -1.847 . . . . 0.0 112.756 173.217 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.8 m -66.07 -54.43 25.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.005 0.922 . . . . 0.0 112.618 174.51 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.9 -34.06 75.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.854 1.261 . . . . 0.0 111.705 175.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -63.95 -29.64 70.79 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 119.888 -1.757 . . . . 0.0 112.219 166.833 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.333 93.7 m -69.95 -39.51 76.02 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 120.497 -1.377 . . . . 0.0 114.316 169.004 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -50.27 -61.17 2.32 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.72 1.145 . . . . 0.0 111.061 159.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -52.31 -42.3 63.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -50.3 -49.95 52.11 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.796 -1.19 . . . . 0.0 111.533 172.568 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.52 -48.08 82.01 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.541 1.064 . . . . 0.0 112.458 172.793 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.26 -10.52 24.23 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 172.581 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -102.21 -2.71 28.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.945 1.698 . . . . 0.0 112.471 170.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -101.73 -52.18 3.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.856 2.062 . . . . 0.0 111.467 -174.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -46.3 133.32 9.64 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.353 1.061 . . . . 0.0 112.46 177.384 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -97.19 128.26 43.91 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.622 -1.299 . . . . 0.0 111.897 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.783 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.5 OUTLIER -78.54 100.33 6.87 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.234 -0.916 . . . . 0.0 109.16 172.848 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -67.97 -4.4 13.04 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.326 -1.484 . . . . 0.0 114.131 -175.144 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 83.14 -61.43 0.13 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.218 1.807 . . . . 0.0 113.646 163.046 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.52 -70.56 0.52 Allowed Glycine 0 CA--C 1.539 1.558 0 O-C-N 121.946 -0.471 . . . . 0.0 112.585 -175.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 92.6 p -72.65 62.81 0.57 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.04 1.336 . . . . 0.0 112.065 176.319 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.24 65.54 1.6 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.429 1.092 . . . . 0.0 112.233 -175.497 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 CA--C 1.543 0.683 0 O-C-N 120.874 -1.141 . . . . 0.0 111.825 179.9 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.652 ' N ' ' HG ' ' B' ' 69' ' ' SER . 72.9 t60 . . . . . 0 CA--C 1.544 0.741 0 CA-C-O 121.626 0.727 . . . . 0.0 112.553 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -72.9 155.55 39.77 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.157 -0.964 . . . . 0.0 110.59 169.273 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -75.14 75.81 2.3 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 123.058 1.408 . . . . 0.0 112.664 179.572 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.81 56.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 129.439 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 4.9 m -60.68 100.59 0.11 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.601 1.56 . . . . 0.0 114.895 -155.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 87.7 t -60.57 145.35 12.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.136 0.574 . . . . 0.0 110.553 168.55 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -32.35 113.98 0.14 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.5 1.92 . . . . 0.0 116.024 178.444 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp 61.61 71.49 0.55 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.378 1.071 . . . . 0.0 113.068 174.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.652 ' HG ' ' N ' ' B' ' 61' ' ' HIS . 5.5 t -91.3 -167.76 1.88 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.402 -0.812 . . . . 0.0 112.581 165.061 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.48 -68.28 0.2 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -164.405 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 83.7 m -61.58 -47.38 85.75 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.141 -0.975 . . . . 0.0 112.738 -173.281 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 pm0 -65.58 -38.45 89.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.793 0.837 . . . . 0.0 111.649 -178.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.97 -49.38 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 O-C-N 121.169 -0.957 . . . . 0.0 111.034 168.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.84 -40.16 63.12 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.605 1.193 . . . . 0.0 111.348 176.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.7 t -71.75 -37.86 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 123.929 0.892 . . . . 0.0 112.371 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.06 -34.35 76.09 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 169.134 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.33 -50.69 44.13 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -49.56 -38.41 31.08 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.849 -1.157 . . . . 0.0 113.008 168.875 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.783 ' CE1' HD12 ' A' ' 124' ' ' LEU . 13.9 m-85 -56.48 -54.24 48.07 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 120.16 -1.588 . . . . 0.0 113.061 169.858 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.279 15.9 mm-40 -79.67 -22.7 43.16 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.962 1.256 . . . . 0.0 114.122 -175.09 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -52.59 -41.85 64.01 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.145 -1.597 . . . . 0.0 111.079 155.681 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 16.3 m -80.22 2.74 23.2 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 172.769 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 45.63 65.26 1.18 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.109 1.764 . . . . 0.0 112.343 -165.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 79.2 mt -124.07 103.37 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.579 1.152 . . . . 0.0 111.545 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 138.46 57.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.035 168.349 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 13.5 mm -108.38 129.99 23.34 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 125.635 1.574 . . . . 0.0 110.229 176.019 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -62.17 143.67 94.75 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.822 2.348 . . . . 0.0 112.752 169.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 61.1 p -48.4 -58.31 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.116 1.766 . . . . 0.0 112.664 173.389 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -40.52 -54.26 2.54 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.811 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 90' ' ' ILE . . . . . 0.501 HG23 ' HE1' ' B' ' 116' ' ' TRP 0.25 15.2 pt -64.46 -35.02 73.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 O-C-N 120.678 -1.263 . . . . 0.0 113.168 177.303 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.28 -50.49 80.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 120.538 1.517 . . . . 0.0 111.224 171.216 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -48.36 -50.45 30.53 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.183 1.793 . . . . 0.0 111.318 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.86 -58.36 5.78 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.631 0.772 . . . . 0.0 111.89 172.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.2 tm? -55.29 -39.71 70.21 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.696 1.198 . . . . 0.0 113.105 -164.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 71.6 t -46.5 -49.4 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 O-C-N 121.268 -0.895 . . . . 0.0 112.56 168.407 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -65.82 -40.6 91.99 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.083 -1.011 . . . . 0.0 112.216 174.23 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -59.6 -35.0 73.45 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.392 -0.817 . . . . 0.0 112.456 176.429 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . 0.313 0.0 OUTLIER 26.17 59.32 0.07 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 128.155 2.582 . . . . 0.0 116.588 -178.192 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.0 156.06 15.53 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.327 -0.858 . . . . 0.0 111.629 176.507 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -72.02 -57.92 3.87 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 120.737 -1.227 . . . . 0.0 110.41 -152.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.0 p -96.51 163.92 12.83 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -39.85 -53.81 2.23 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.914 2.085 . . . . 0.0 111.269 161.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -59.14 -40.09 84.42 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.388 0.675 . . . . 0.0 112.503 -178.19 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -68.9 -47.49 65.69 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.881 -0.512 . . . . 0.0 111.739 178.197 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.03 -43.27 97.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.998 178.66 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.274 3.3 pp -67.64 -33.79 75.66 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.765 -1.21 . . . . 0.0 112.69 178.46 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -55.35 -62.39 1.7 Allowed 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.761 -1.212 . . . . 0.0 111.364 168.229 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 108' ' ' TYR . . . . . 0.491 ' CD2' HD23 ' B' ' 94' ' ' LEU . 82.1 t80 -52.29 -53.28 46.15 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.773 0.829 . . . . 0.0 111.705 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 87.7 mt -56.11 -55.34 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 123.676 0.79 . . . . 0.0 111.454 177.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -50.31 -40.29 48.3 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 120.683 1.583 . . . . 0.0 112.151 174.192 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.3 m -64.86 -59.46 4.18 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.076 0.95 . . . . 0.0 113.151 176.416 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.78 -34.75 78.6 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.509 -1.369 . . . . 0.0 111.977 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -56.88 -33.38 66.8 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.194 -1.566 . . . . 0.0 112.643 165.514 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.252 72.7 m -73.11 -31.93 64.64 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.582 -1.324 . . . . 0.0 114.247 167.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -58.29 6.29 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.192 1.36 . . . . 0.0 110.549 159.276 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 116' ' ' TRP . . . . . 0.501 ' HE1' HG23 ' B' ' 90' ' ' ILE . 23.1 m95 -52.68 -43.63 65.7 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.934 -1.104 . . . . 0.0 113.764 174.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -49.25 -53.54 21.12 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.261 -0.9 . . . . 0.0 110.806 171.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.36 -53.17 61.26 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 176.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -49.42 -38.26 28.54 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.16 1.346 . . . . 0.0 112.676 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -87.53 -6.81 58.18 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -88.46 -39.63 14.09 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.163 2.185 . . . . 0.0 110.731 169.54 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -54.62 134.87 47.03 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.186 0.995 . . . . 0.0 113.039 174.184 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 140.68 58.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.702 1.601 . . . . 0.0 114.085 171.481 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 24.4 tp -95.7 102.14 13.91 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.39 1.45 . . . . 0.0 110.795 144.203 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.67 -7.87 12.33 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -177.875 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 71.09 -48.08 0.67 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.815 1.646 . . . . 0.0 113.886 -177.754 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.7 -55.64 5.01 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.797 0.713 . . . . 0.0 112.018 173.249 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 85.8 p -140.06 -103.15 0.16 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.201 0.6 . . . . 0.0 111.068 165.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 59.6 mt 56.79 -168.01 0.11 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.558 1.171 . . . . 0.0 112.157 -175.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 130' ' ' LYS . . . . . 0.631 ' HZ1' ' CD ' ' A' ' 104' ' ' GLU . 46.9 mtmt . . . . . 0 CA--C 1.539 0.54 0 O-C-N 120.436 -1.415 . . . . 0.0 110.455 175.621 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.4 tpt -93.47 46.93 1.22 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.842 0.829 . . . . 0.0 113.208 -174.436 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.57 67.28 1.09 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 122.995 1.379 . . . . 0.0 109.972 168.355 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.51 75.21 2.55 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.442 1.097 . . . . 0.0 113.067 -167.293 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.6 t -106.71 168.71 8.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.354 0.661 . . . . 0.0 110.777 160.123 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.6 t -79.06 64.0 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 O-C-N 121.235 -0.916 . . . . 0.0 109.568 177.257 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.43 71.45 2.39 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.45 -0.781 . . . . 0.0 112.123 -175.622 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.21 81.7 5.52 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 160.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 p -104.82 -155.54 0.54 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.402 1.081 . . . . 0.0 111.651 168.488 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.95 -69.05 0.12 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -158.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.3 p -65.52 -43.19 90.82 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.8 0.809 . . . . 0.0 112.436 -170.076 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -68.83 -40.87 79.21 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.559 1.144 . . . . 0.0 110.904 -177.113 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.9 -46.06 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 121.197 -0.939 . . . . 0.0 111.172 171.145 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.4 -40.8 75.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.936 0.874 . . . . 0.0 111.596 -179.73 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.453 HG12 ' CE2' ' A' ' 79' ' ' TYR 0.278 16.0 t -79.1 -32.18 15.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 121.42 -0.8 . . . . 0.0 112.704 176.576 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.34 -34.74 75.77 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.245 -1.534 . . . . 0.0 114.478 168.702 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -55.21 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 169.132 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.8 mt -51.86 -37.02 50.41 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 118.54 -0.743 . . . . 0.0 112.411 177.673 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.463 ' CE1' HD12 ' B' ' 124' ' ' LEU . 26.6 m-85 -62.4 -71.24 0.16 Allowed 'General case' 0 C--O 1.239 0.504 0 CA-C-N 120.818 1.645 . . . . 0.0 113.05 166.606 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -70.06 -40.35 75.11 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.961 0.41 . . . . 0.0 110.387 -161.327 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -65.31 -41.0 94.48 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.164 -0.96 . . . . 0.0 112.533 173.23 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.8 t -58.26 -42.78 87.21 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 120.406 -1.434 . . . . 0.0 111.425 170.49 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . 0.262 20.3 p-10 125.39 18.39 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 130.463 3.505 . . . . 0.0 114.399 173.848 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 84' ' ' ILE . 3.2 mp -84.92 114.36 25.0 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 C-N-CA 125.642 1.577 . . . . 0.0 109.058 171.053 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -79.1 116.91 19.68 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.053 165.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.3 mm -77.07 136.62 65.81 Favored Pre-proline 0 CA--C 1.548 0.869 0 O-C-N 120.852 -1.155 . . . . 0.0 111.841 176.407 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -74.87 130.8 13.76 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 121.537 1.491 . . . . 0.0 109.618 169.212 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 p -48.73 -39.65 25.57 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.957 1.703 . . . . 0.0 114.326 -175.757 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -40.17 -60.31 1.09 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.902 1.281 . . . . 0.0 113.76 174.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.25 19.4 pt -65.35 -27.7 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 120.199 -1.563 . . . . 0.0 112.683 178.73 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.58 -43.68 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 120.754 -1.216 . . . . 0.0 111.335 170.06 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -47.24 -60.23 2.63 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.819 0.848 . . . . 0.0 111.628 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.81 -46.39 65.79 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 178.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.47 -45.55 73.18 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.542 -1.349 . . . . 0.0 112.314 -178.121 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.64 -35.82 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 121.095 -1.003 . . . . 0.0 113.213 170.628 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -67.34 -64.15 0.92 Allowed 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.28 -0.887 . . . . 0.0 110.755 172.367 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -60.3 -46.88 88.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.561 1.144 . . . . 0.0 113.061 -174.051 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 56.69 73.23 0.46 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.54 1.136 . . . . 0.0 112.833 162.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.94 165.79 24.5 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.449 -172.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.12 -25.2 51.87 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -157.5 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -150.79 167.87 26.14 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -46.47 -40.84 13.06 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.734 2.014 . . . . 0.0 112.73 -178.602 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -55.54 -52.17 64.61 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.77 1.228 . . . . 0.0 111.658 175.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.39 -44.44 78.87 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.659 -0.651 . . . . 0.0 111.528 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.01 -38.38 81.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.188 177.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 3.7 pp -65.2 -37.55 87.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.782 1.628 . . . . 0.0 111.541 174.444 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.23 -57.78 11.34 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.043 0.838 . . . . 0.0 111.467 174.762 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -49.25 -58.61 4.74 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.504 -0.748 . . . . 0.0 111.221 173.864 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.451 HG21 ' CE2' ' A' ' 79' ' ' TYR . 91.0 mt -60.16 -52.22 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 121.349 -0.845 . . . . 0.0 111.014 -172.634 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.96 -39.83 86.97 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.778 -1.201 . . . . 0.0 112.154 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.3 p -62.91 -51.5 66.7 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.026 -1.046 . . . . 0.0 112.948 172.503 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -70.88 -35.72 72.46 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.446 1.475 . . . . 0.0 112.343 -177.683 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -53.26 -32.82 50.38 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.978 -1.701 . . . . 0.0 111.792 161.525 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.302 96.9 m -78.8 -33.09 46.52 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 119.967 -1.708 . . . . 0.0 114.565 172.335 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -50.24 -58.45 5.59 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.991 1.269 . . . . 0.0 110.237 156.809 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -54.21 -39.27 66.55 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -49.3 75.05 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.138 -1.601 . . . . 0.0 112.391 173.165 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.13 -35.18 79.91 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.512 -0.743 . . . . 0.0 112.167 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -54.66 -62.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.428 1.091 . . . . 0.0 110.447 168.319 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -61.75 -12.57 17.53 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.887 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -75.28 -32.27 60.98 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.157 1.383 . . . . 0.0 113.062 168.612 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -63.61 135.57 56.88 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.052 -1.03 . . . . 0.0 113.61 -179.472 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 131.97 44.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.771 3.228 . . . . 0.0 115.744 178.793 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.0 tp -86.9 109.31 19.24 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.251 1.387 . . . . 0.0 110.327 149.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.48 26.04 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 179.344 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? 56.26 -67.01 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.74 2.016 . . . . 0.0 115.484 -169.531 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 71.26 -84.12 0.42 Allowed Glycine 0 CA--C 1.537 1.406 0 O-C-N 121.226 -0.921 . . . . 0.0 111.48 -167.582 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 87.2 p -75.44 72.49 2.46 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.279 -1.13 . . . . 0.0 112.455 -178.422 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.0 mt -52.15 146.57 8.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.873 1.269 . . . . 0.0 113.658 175.531 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 CA--C 1.536 0.439 0 C-N-CA 124.602 1.161 . . . . 0.0 109.907 163.224 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 44.6 ttm -76.16 62.79 1.76 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.899 1.279 . . . . 0.0 113.094 -173.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -66.56 170.22 6.56 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.671 1.188 . . . . 0.0 110.408 164.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -17.75 76.94 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 130.431 3.493 . . . . 0.0 116.515 -175.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.69 47.42 0.73 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -166.682 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -77.27 82.67 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 120.339 -1.475 . . . . 0.0 108.73 176.531 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.03 160.19 21.46 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.574 1.95 . . . . 0.0 114.964 -170.11 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mp -8.57 90.5 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 129.664 3.185 . . . . 0.0 116.582 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -116.39 -171.69 2.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.295 2.238 . . . . 0.0 110.89 168.053 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -35.09 -66.16 0.19 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.502 1.921 . . . . 0.0 115.997 -166.206 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.6 m -65.37 -55.87 15.72 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.212 -0.93 . . . . 0.0 113.141 -170.101 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -59.13 -43.52 91.99 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.086 -1.009 . . . . 0.0 111.416 176.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.1 -44.65 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 120.901 -1.124 . . . . 0.0 110.992 174.048 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.62 81.41 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.522 1.153 . . . . 0.0 111.61 176.288 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . 0.254 7.0 t -72.21 -37.28 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 120.818 -1.176 . . . . 0.0 112.421 178.306 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -40.33 80.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.587 1.155 . . . . 0.0 113.588 168.301 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -56.18 17.61 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 122.16 0.981 . . . . 0.0 109.041 174.857 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 80.3 mt -54.84 -36.17 64.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.458 -0.776 . . . . 0.0 112.361 178.346 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -51.95 -58.22 7.14 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.928 1.24 . . . . 0.0 112.328 168.242 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -73.7 -26.94 60.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -173.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -56.43 -47.56 78.8 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.7 -1.25 . . . . 0.0 111.068 158.481 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -18.38 63.27 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 169.3 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 3.9 m120 75.26 66.12 0.07 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 130.008 3.323 . . . . 0.0 111.489 -175.509 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 55.4 mt -134.92 106.73 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.627 1.971 . . . . 0.0 112.69 -177.687 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -71.06 133.5 46.33 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.798 -0.564 . . . . 0.0 110.091 165.188 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.23 127.48 38.3 Favored Pre-proline 0 CA--C 1.541 0.634 0 O-C-N 121.036 -1.04 . . . . 0.0 110.49 175.158 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.4 114.73 4.12 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 121.297 1.331 . . . . 0.0 109.236 170.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -29.59 -43.32 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 128.856 2.862 . . . . 0.0 116.299 -175.776 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -41.21 -48.64 3.52 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.736 1.214 . . . . 0.0 113.51 173.122 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 27.6 mm -44.94 -60.55 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 123.667 0.787 . . . . 0.0 110.866 169.109 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.9 -46.64 96.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.513 1.125 . . . . 0.0 110.468 -174.341 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.31 -62.35 1.53 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.276 1.831 . . . . 0.0 110.255 177.842 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.35 -51.71 64.78 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.954 -1.091 . . . . 0.0 112.235 178.652 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -53.1 35.13 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.495 1.118 . . . . 0.0 111.984 -175.837 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 49.0 t -52.44 -53.11 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.811 0.844 . . . . 0.0 112.069 171.363 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -60.3 -53.59 55.78 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.722 0.772 . . . . 0.0 113.008 -176.233 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -59.66 -35.79 75.15 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.935 -1.103 . . . . 0.0 111.297 176.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? 69.27 71.84 0.26 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.288 1.435 . . . . 0.0 112.75 167.521 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.19 165.4 24.45 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.474 0.709 . . . . 0.0 110.336 163.084 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -112.07 -70.53 0.8 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.121 0.968 . . . . 0.0 112.704 -166.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -70.42 147.14 49.82 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -167.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.31 64.78 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.579 2.751 . . . . 0.0 109.502 168.886 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 178.7 -52.18 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 129.982 3.313 . . . . 0.0 109.691 -174.214 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.06 -48.09 73.95 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 120.783 -1.198 . . . . 0.0 111.145 176.531 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 24.3 m -59.59 -43.02 90.1 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.064 -176.826 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.05 -36.53 75.06 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 118.924 -1.11 . . . . 0.0 112.105 177.384 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -59.96 -51.74 68.4 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.27 0.941 . . . . 0.0 110.065 178.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -56.98 -55.7 31.29 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.758 0.823 . . . . 0.0 112.083 174.385 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.91 -54.53 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 123.487 0.715 . . . . 0.0 111.371 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -55.01 -41.0 70.74 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.302 -1.499 . . . . 0.0 112.276 177.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 84.0 m -60.13 -54.96 39.66 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.097 -1.002 . . . . 0.0 112.426 172.071 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.59 -30.02 68.68 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 120.42 -1.425 . . . . 0.0 113.492 -177.518 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -59.24 -42.72 91.76 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 120.359 -1.463 . . . . 0.0 110.147 164.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.295 88.5 m -58.67 -44.72 90.29 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.919 -1.113 . . . . 0.0 113.764 172.149 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -48.97 -57.32 6.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.044 0.838 . . . . 0.0 111.594 161.584 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -53.77 -44.68 70.25 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.153 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.277 19.2 pttm -58.06 -41.87 84.25 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 119.856 -1.778 . . . . 0.0 112.921 171.482 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.78 -42.48 95.04 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.448 1.022 . . . . 0.0 112.844 174.198 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -53.5 -48.19 69.2 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.103 -1.623 . . . . 0.0 111.464 171.648 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.43 -11.35 32.36 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.564 1.546 . . . . 0.0 113.343 173.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -106.98 -27.79 10.44 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.486 1.914 . . . . 0.0 113.596 -177.601 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -41.73 135.3 2.28 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.788 1.235 . . . . 0.0 113.261 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.73 121.82 11.35 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -175.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -109.67 108.58 19.03 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 159.008 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -76.79 31.14 0.13 Allowed 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -175.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 63.4 -51.31 0.22 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.636 2.374 . . . . 0.0 115.898 -178.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.47 -125.51 23.64 Favored Glycine 0 CA--C 1.533 1.193 0 O-C-N 121.291 -0.881 . . . . 0.0 111.882 -175.594 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 51.7 p -77.69 59.34 1.99 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.645 1.222 . . . . 0.0 113.348 -176.439 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 48.4 tp -53.85 119.65 5.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.971 1.308 . . . . 0.0 111.882 177.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm . . . . . 0 CA--C 1.535 0.397 0 O-C-N 121.586 -0.696 . . . . 0.0 112.139 179.485 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.9 p80 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -77.2 53.49 1.0 Allowed 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.81 0.814 . . . . 0.0 112.522 179.12 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -78.2 145.39 35.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.753 1.221 . . . . 0.0 109.824 170.714 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -99.2 50.1 0.95 Allowed 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.443 -0.785 . . . . 0.0 112.035 173.145 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.9 m -68.22 141.07 56.06 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.058 -1.026 . . . . 0.0 108.426 157.635 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 t -71.98 68.78 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 122.509 1.147 . . . . 0.0 110.669 177.384 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.03 67.67 10.29 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.63 1.172 . . . . 0.0 111.798 -167.003 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mp -89.67 85.66 6.51 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 157.72 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.0 p -111.32 -153.67 0.52 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.797 1.639 . . . . 0.0 111.552 171.09 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.56 -74.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -157.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.2 p -60.07 -47.77 84.5 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -174.388 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -63.18 -42.61 99.41 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.354 -0.841 . . . . 0.0 111.666 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.12 -46.25 88.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 O-C-N 121.201 -0.937 . . . . 0.0 111.492 173.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.08 76.42 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 122.223 1.011 . . . . 0.0 111.461 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.593 HG21 HG23 ' A' ' 105' ' ' VAL . 30.5 t -70.12 -36.74 69.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 O-C-N 121.538 -0.726 . . . . 0.0 112.12 175.339 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.92 -40.0 91.52 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 168.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.46 -50.23 66.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.604 -0.685 . . . . 0.0 109.216 176.867 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.5 mt -45.81 -48.94 15.63 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.089 -1.007 . . . . 0.0 112.22 170.395 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -50.17 -53.64 26.41 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.777 -1.202 . . . . 0.0 113.071 173.721 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -82.54 -25.11 33.67 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -173.003 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -48.77 -44.4 38.72 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.162 -1.586 . . . . 0.0 109.606 154.165 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 m -78.29 -2.22 36.94 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 175.453 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 48.86 68.62 0.68 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.741 2.816 . . . . 0.0 114.447 -165.286 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.2 mt -126.37 110.75 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 124.819 1.247 . . . . 0.0 110.314 175.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -66.84 140.33 57.8 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 118.054 -1.458 . . . . 0.0 110.011 165.794 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.1 mm -104.35 125.66 33.61 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 125.002 1.321 . . . . 0.0 108.286 167.852 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.82 135.62 23.88 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 N-CA-C 108.535 -1.371 . . . . 0.0 108.535 175.537 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -39.12 1.34 Allowed 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 126.568 1.947 . . . . 0.0 113.292 -177.519 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.94 -46.63 16.29 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.421 1.488 . . . . 0.0 113.674 174.798 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.0 mm -54.54 -51.9 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 O-C-N 121.382 -0.824 . . . . 0.0 110.289 171.811 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.69 -43.85 93.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.098 0.559 . . . . 0.0 110.661 -171.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -47.07 -59.72 2.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.303 1.441 . . . . 0.0 111.258 170.667 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -57.82 -59.37 5.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.036 0.935 . . . . 0.0 110.622 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -51.52 62.79 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.856 0.836 . . . . 0.0 112.043 -174.889 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.35 -23.8 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.231 1.012 . . . . 0.0 112.787 177.023 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -68.78 -57.5 5.52 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.857 1.208 . . . . 0.0 111.47 162.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -59.38 -45.02 92.6 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -172.714 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.15 71.37 0.45 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 174.37 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.9 mt -70.22 -175.95 1.08 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.977 1.311 . . . . 0.0 110.974 164.066 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -142.1 -25.56 0.66 Allowed 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -172.49 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -100.24 140.58 34.28 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.011 1.278 . . . . 0.0 113.704 -178.158 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 67.5 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 128.876 2.871 . . . . 0.0 110.021 170.422 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 174.8 -55.64 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 129.16 2.984 . . . . 0.0 108.498 -167.811 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -59.41 -51.59 69.25 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.589 0.755 . . . . 0.0 110.7 176.269 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.593 HG23 HG21 ' A' ' 75' ' ' VAL . 2.5 m -57.13 -46.72 84.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.137 177.436 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.27 1.2 pp -68.19 -39.48 82.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 118.797 -1.161 . . . . 0.0 112.183 -178.387 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.259 9.9 p30 -71.55 -42.29 68.04 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.23 1.377 . . . . 0.0 112.289 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.16 -55.48 34.38 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.924 0.889 . . . . 0.0 111.707 172.089 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -54.01 -49.04 63.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 O-C-N 120.739 -1.226 . . . . 0.0 111.254 176.042 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -60.27 -41.01 92.4 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.752 -1.218 . . . . 0.0 113.166 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 p -64.79 -49.8 69.25 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.855 -1.153 . . . . 0.0 112.541 172.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.85 -34.51 77.51 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.559 -1.338 . . . . 0.0 112.218 175.706 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -65.36 -20.94 66.61 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 119.924 -1.735 . . . . 0.0 111.847 169.327 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.274 90.9 m -83.54 -38.18 22.05 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 119.433 -2.042 . . . . 0.0 114.271 168.269 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -47.78 -57.86 5.07 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.669 1.122 . . . . 0.0 110.295 157.584 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -55.38 -38.77 69.3 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -55.45 -58.35 8.1 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.476 -1.39 . . . . 0.0 112.683 167.311 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.5 mt -56.98 -44.76 83.02 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.292 1.044 . . . . 0.0 111.925 -177.45 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -55.21 -51.65 65.9 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.62 1.168 . . . . 0.0 111.901 171.706 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -72.2 -10.5 59.87 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.175 -1.578 . . . . 0.0 114.559 176.061 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -39.13 84.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.453 1.101 . . . . 0.0 111.427 165.084 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -54.5 131.67 43.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -106.79 133.06 52.03 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.715 2.006 . . . . 0.0 111.41 -173.564 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.431 HD22 ' CD1' ' B' ' 79' ' ' TYR . 16.6 tp -84.45 98.76 10.26 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.391 0.996 . . . . 0.0 110.138 173.888 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -63.74 -10.42 19.56 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.394 -1.441 . . . . 0.0 112.828 177.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . 0.285 13.9 ptp180 71.71 -56.98 0.63 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.116 2.566 . . . . 0.0 116.434 155.467 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.27 -69.62 0.35 Allowed Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.196 -0.94 . . . . 0.0 112.361 -169.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 21.7 m 72.25 -56.82 0.64 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.954 2.102 . . . . 0.0 115.602 169.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 47.3 mt 52.08 39.19 26.02 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.128 1.371 . . . . 0.0 113.565 -175.552 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt . . . . . 0 CA--C 1.537 0.457 0 C-N-CA 125.575 1.55 . . . . 0.0 110.308 177.427 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 11.5 p80 . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.9 99.42 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.362 0.665 . . . . 0.0 109.265 166.113 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -84.92 -178.22 6.78 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 123.536 1.636 . . . . 0.0 115.31 -152.427 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -74.82 56.29 0.72 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 130.572 3.549 . . . . 0.0 111.082 -170.361 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 98.4 m 105.98 148.61 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 130.664 3.585 . . . . 0.0 108.157 -156.833 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 p -43.97 142.08 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 175.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.33 136.94 42.85 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.109 -0.994 . . . . 0.0 112.438 175.455 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.262 10.9 mp 66.87 71.58 0.38 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.658 1.218 . . . . 0.0 111.175 -173.556 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 16.9 t -89.78 -175.97 4.81 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.17 1.788 . . . . 0.0 112.378 170.09 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.0 -71.28 0.08 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -169.047 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.3 p -59.32 -45.48 91.21 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.051 -1.031 . . . . 0.0 113.379 -175.292 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.94 -37.04 85.01 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.009 0.923 . . . . 0.0 111.616 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.84 -51.9 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 120.953 -1.092 . . . . 0.0 111.701 170.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.86 66.1 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.602 1.192 . . . . 0.0 111.416 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 t -70.92 -40.46 76.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.432 173.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.15 -29.13 69.6 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 169.229 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.17 -55.19 7.69 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.668 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 34.2 mt -48.86 -41.28 32.63 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.39 -0.819 . . . . 0.0 111.957 170.31 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.431 ' CD1' HD22 ' A' ' 124' ' ' LEU . 7.4 m-85 -54.6 -54.68 38.29 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 120.683 -1.261 . . . . 0.0 112.836 171.576 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.266 57.7 mm-40 -73.64 -20.16 60.65 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.357 1.435 . . . . 0.0 113.381 -178.765 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -58.77 -31.79 68.7 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 119.898 -1.752 . . . . 0.0 111.914 157.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 68.6 m -87.92 9.78 20.97 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.353 -1.467 . . . . 0.0 113.434 167.63 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 35.31 57.34 0.83 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.704 2.002 . . . . 0.0 113.926 -160.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' B' ' 113' ' ' ARG . 21.2 mt -105.26 104.78 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.528 1.131 . . . . 0.0 112.622 -178.071 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.69 115.64 15.58 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.921 0.867 . . . . 0.0 109.593 169.243 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 50.1 mm -82.63 130.77 57.21 Favored Pre-proline 0 CA--C 1.548 0.882 0 O-C-N 120.562 -1.336 . . . . 0.0 109.967 173.557 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.36 153.76 26.67 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.069 2.513 . . . . 0.0 112.943 169.762 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -53.16 -56.41 16.56 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.85 0.86 . . . . 0.0 112.385 171.844 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -41.92 -56.55 2.71 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.88 1.272 . . . . 0.0 113.312 178.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 33.9 mm -43.22 -56.26 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.985 0.422 . . . . 0.0 111.036 172.035 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.34 -47.32 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 O-C-N 121.448 -0.783 . . . . 0.0 110.804 -175.87 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.41 -55.79 22.14 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.86 1.264 . . . . 0.0 111.155 -179.57 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.45 -57.8 11.22 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.593 1.157 . . . . 0.0 110.775 174.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -50.71 70.32 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.519 -0.738 . . . . 0.0 112.129 -170.528 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.04 -46.36 54.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 O-C-N 120.949 -1.095 . . . . 0.0 111.95 168.401 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -46.51 61.05 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.848 -1.157 . . . . 0.0 113.412 171.453 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -69.47 -70.23 0.29 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.301 0.955 . . . . 0.0 111.94 175.262 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 62.71 88.07 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.826 2.45 . . . . 0.0 114.509 -168.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.35 168.38 16.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.171 163.595 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.07 -63.47 1.35 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.061 -1.024 . . . . 0.0 111.301 -167.425 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 45.2 t -83.51 149.17 26.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 122.104 0.954 . . . . 0.0 113.097 -175.44 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -31.62 -55.33 0.27 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.467 1.907 . . . . 0.0 111.524 153.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -57.75 -41.63 82.28 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.204 -0.935 . . . . 0.0 112.747 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -71.18 -48.92 48.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.139 0.576 . . . . 0.0 110.592 -175.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.77 -41.58 93.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.357 174.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.308 2.2 pp -70.73 -33.3 70.7 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.691 1.132 . . . . 0.0 112.661 -178.42 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -56.2 -60.91 2.82 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.981 -1.075 . . . . 0.0 111.558 166.812 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -51.16 -55.22 19.0 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.478 1.111 . . . . 0.0 111.298 179.709 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.1 mt -55.8 -56.52 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 123.943 0.897 . . . . 0.0 111.46 177.437 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -49.38 -47.19 47.84 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 121.087 1.767 . . . . 0.0 111.791 177.571 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 22.2 m -55.94 -56.04 25.46 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.602 -0.686 . . . . 0.0 111.812 174.398 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -61.12 -34.35 74.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 178.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.564 ' CZ ' HG23 ' B' ' 84' ' ' ILE . 38.7 mtp180 -57.44 -36.55 71.53 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 119.73 -1.857 . . . . 0.0 110.783 168.269 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.295 77.3 m -72.9 -35.71 67.15 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 172.703 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -53.36 -57.52 10.3 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.993 1.27 . . . . 0.0 111.205 161.729 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -54.79 -45.03 74.24 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.227 -0.921 . . . . 0.0 113.147 179.172 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -45.41 -51.2 11.69 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.981 -1.074 . . . . 0.0 111.656 168.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.57 -45.84 88.59 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 175.675 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -54.86 -33.88 62.32 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 119.912 -1.743 . . . . 0.0 112.751 170.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -75.13 -7.21 53.14 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 119.994 -1.691 . . . . 0.0 112.805 175.618 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -111.73 -42.63 3.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.252 2.221 . . . . 0.0 113.434 -173.089 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -36.35 139.42 0.17 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 126.032 1.733 . . . . 0.0 114.956 178.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 130.03 43.02 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -178.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 17.4 tp -119.01 116.44 26.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.532 1.133 . . . . 0.0 109.733 157.711 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.52 23.65 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -174.382 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 68.37 -57.97 0.48 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.772 2.029 . . . . 0.0 114.705 177.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.67 44.88 2.81 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.598 1.57 . . . . 0.0 111.385 -166.729 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.5 t 67.0 178.11 0.23 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.199 1.4 . . . . 0.0 114.289 -173.415 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 32.6 tp -79.11 68.58 5.1 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.419 1.488 . . . . 0.0 111.157 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 CA--C 1.538 0.491 0 O-C-N 121.302 -0.874 . . . . 0.0 112.373 178.454 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 p80 . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 118.863 -0.589 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 ttp -156.58 128.25 7.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.674 1.124 . . . . 0.0 112.558 -169.351 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -62.74 152.57 35.31 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.156 0.979 . . . . 0.0 112.895 174.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.99 43.53 1.25 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.633 2.373 . . . . 0.0 110.207 178.753 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.5 m 66.51 -57.94 0.38 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 128.349 2.66 . . . . 0.0 115.203 174.396 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 t -78.38 67.91 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 O-C-N 120.748 -1.22 . . . . 0.0 110.417 -177.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.3 -176.14 0.2 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.572 1.549 . . . . 0.0 112.536 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt -14.72 93.76 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.482 2.713 . . . . 0.0 115.727 161.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.8 t -102.14 -170.36 1.8 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.518 1.927 . . . . 0.0 112.342 170.378 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.67 -63.56 1.02 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -168.265 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.5 p -66.18 -46.0 78.9 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.197 -0.939 . . . . 0.0 112.828 -171.375 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -67.22 -35.04 78.76 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.956 -1.09 . . . . 0.0 112.23 176.504 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.7 t -69.3 -42.78 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 O-C-N 120.687 -1.258 . . . . 0.0 112.217 173.682 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.39 64.14 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 122.418 1.104 . . . . 0.0 111.332 171.601 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.19 -35.92 60.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 123.469 0.708 . . . . 0.0 112.307 174.125 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mt -58.17 -33.7 69.51 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 168.32 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.23 -52.3 19.78 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.387 -0.821 . . . . 0.0 109.634 178.009 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 mt -56.84 -31.39 64.72 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.049 -1.032 . . . . 0.0 112.007 174.205 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CE1' HD12 ' B' ' 124' ' ' LEU . 9.6 m-85 -55.67 -58.63 7.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 120.764 -1.21 . . . . 0.0 113.43 165.108 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.28 52.4 mm-40 -72.49 -21.81 61.15 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 121.256 1.844 . . . . 0.0 113.622 -177.42 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -54.61 -40.19 68.65 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 119.973 -1.704 . . . . 0.0 111.674 158.441 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 p -84.42 9.22 13.86 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.234 -1.542 . . . . 0.0 114.214 171.003 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 39.86 58.2 2.15 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.307 2.243 . . . . 0.0 113.892 -163.699 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.688 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 22.9 mt -110.22 98.75 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.371 1.068 . . . . 0.0 113.256 178.053 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -68.63 129.33 39.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 118.739 -1.184 . . . . 0.0 109.417 164.507 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.9 mm -88.83 129.98 46.57 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.447 -0.783 . . . . 0.0 110.631 175.701 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.06 132.3 48.54 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.977 1.785 . . . . 0.0 112.187 169.819 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.8 m -41.17 -39.33 1.28 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.782 0.833 . . . . 0.0 112.922 168.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -36.9 81.33 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 178.517 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.7 mm -53.98 -54.16 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 O-C-N 120.743 -1.223 . . . . 0.0 109.294 167.297 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.66 -45.98 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 121.942 -0.474 . . . . 0.0 110.077 -168.651 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -41.96 -51.56 4.37 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.114 1.766 . . . . 0.0 112.829 173.121 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.47 -62.83 1.3 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.508 1.523 . . . . 0.0 111.187 174.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -44.28 74.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.168 1.387 . . . . 0.0 113.438 -170.075 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.2 t -51.41 -36.73 17.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 120.896 -1.127 . . . . 0.0 112.246 171.055 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -51.02 13.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.113 1.365 . . . . 0.0 113.111 174.145 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -57.67 -46.03 84.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.987 0.898 . . . . 0.0 111.781 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 47.4 69.38 0.52 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.808 2.443 . . . . 0.0 115.578 172.693 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.9 161.28 10.73 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.393 169.574 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -86.09 -63.69 1.28 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 122.134 0.968 . . . . 0.0 110.329 -158.731 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 m -78.87 145.58 34.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 122.319 1.057 . . . . 0.0 112.603 -176.237 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -31.75 -52.8 0.25 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.804 2.041 . . . . 0.0 112.593 159.247 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -67.94 -33.04 73.91 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.295 -1.503 . . . . 0.0 112.576 -179.427 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.88 -49.05 69.47 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.332 -0.855 . . . . 0.0 111.691 176.467 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.0 -41.79 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.917 -178.011 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.67 -39.72 88.27 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 118.272 -1.371 . . . . 0.0 112.234 174.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -52.77 -55.54 22.17 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 120.947 -1.096 . . . . 0.0 110.857 174.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -57.04 -67.21 0.34 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.008 1.323 . . . . 0.0 111.432 177.753 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.3 mt -48.15 -50.44 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 124.177 0.991 . . . . 0.0 111.586 -177.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.88 -45.53 82.47 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.871 -1.143 . . . . 0.0 112.071 -179.478 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.9 m -58.37 -55.12 39.07 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.227 -0.92 . . . . 0.0 111.599 170.386 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -54.37 -28.97 46.84 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.401 1.881 . . . . 0.0 112.241 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.688 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 36.2 ttt-85 -75.61 -41.51 54.17 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.213 -1.554 . . . . 0.0 112.293 176.485 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 m -63.57 -37.41 87.22 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.503 -1.373 . . . . 0.0 112.652 166.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -51.26 -59.61 4.02 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.075 0.852 . . . . 0.0 110.869 163.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -48.0 -48.18 32.78 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 177.793 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -47.51 -50.43 23.49 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.473 -0.767 . . . . 0.0 112.506 173.291 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.64 -41.51 75.52 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 176.295 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -56.59 -37.47 70.68 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.041 -1.662 . . . . 0.0 111.537 174.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -73.82 2.08 9.17 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.54 1.536 . . . . 0.0 113.779 174.031 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.68 -31.57 8.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.853 2.061 . . . . 0.0 112.508 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -50.91 141.89 12.71 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -175.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 122.33 8.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 129.309 3.044 . . . . 0.0 115.264 -178.79 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -117.53 122.91 44.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.142 0.977 . . . . 0.0 109.335 154.247 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.55 23.65 0.09 Allowed 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -178.095 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 65.75 -63.26 0.22 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.892 1.677 . . . . 0.0 113.148 -172.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.81 -74.47 0.61 Allowed Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.216 0.912 . . . . 0.0 112.202 -177.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.8 m -75.37 71.4 2.34 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.446 -1.032 . . . . 0.0 111.948 175.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.89 62.27 0.43 Allowed 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.489 -0.757 . . . . 0.0 111.05 170.605 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt . . . . . 0 CA--C 1.537 0.459 0 C-N-CA 124.031 0.932 . . . . 0.0 111.762 -175.893 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 121.316 0.579 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 86.4 mtp -73.12 84.5 1.33 Allowed 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.336 -0.852 . . . . 0.0 112.884 -173.448 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.72 78.53 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.008 1.323 . . . . 0.0 114.052 175.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -30.1 108.28 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.308 2.643 . . . . 0.0 112.473 162.506 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 3.9 m 56.34 40.07 29.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.659 0.784 . . . . 0.0 111.73 175.16 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.334 4.0 p 53.71 151.98 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 128.487 2.715 . . . . 0.0 116.389 -171.371 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -61.81 125.13 22.76 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.69 -1.256 . . . . 0.0 111.548 -174.423 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 mp 61.68 68.19 0.72 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 122.454 1.121 . . . . 0.0 111.602 -169.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -176.36 4.52 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.903 0.881 . . . . 0.0 111.687 164.159 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.88 -58.27 4.1 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -171.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -42.22 81.26 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.212 -0.93 . . . . 0.0 112.259 -173.919 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -71.17 -30.84 66.93 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.66 -0.65 . . . . 0.0 111.897 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.32 -47.87 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 O-C-N 120.437 -1.414 . . . . 0.0 111.453 166.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.18 80.86 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 122.017 0.913 . . . . 0.0 111.548 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -43.6 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 O-C-N 121.169 -0.957 . . . . 0.0 112.069 -178.819 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.93 -38.47 4.7 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.727 0.811 . . . . 0.0 113.079 165.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.39 -48.59 40.31 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.753 -0.592 . . . . 0.0 110.763 177.394 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.81 -42.46 17.14 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 119.996 -1.69 . . . . 0.0 111.784 169.414 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 79' ' ' TYR . . . . . 0.564 ' CE1' HD12 ' A' ' 124' ' ' LEU . 45.9 m-85 -59.45 -58.01 10.47 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 171.524 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.17 -24.99 29.92 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -169.722 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -43.77 -42.9 5.78 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.268 1.509 . . . . 0.0 110.478 152.241 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -87.08 2.99 47.97 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 178.555 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.323 0.0 OUTLIER 52.67 41.99 31.51 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 129.485 3.114 . . . . 0.0 115.247 -168.449 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.17 104.63 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 O-C-N 120.594 -1.317 . . . . 0.0 111.673 175.127 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.79 104.36 1.65 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 169.342 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 35.7 mm -69.98 117.57 55.22 Favored Pre-proline 0 CA--C 1.54 0.596 0 O-C-N 120.839 -1.163 . . . . 0.0 109.943 168.003 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -64.6 126.08 16.12 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 N-CA-C 109.386 -1.044 . . . . 0.0 109.386 173.797 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 58.6 p -41.88 -32.87 0.46 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.586 1.954 . . . . 0.0 114.397 -178.352 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.24 -44.55 53.54 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.477 1.111 . . . . 0.0 113.101 174.333 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 20.8 mm -49.9 -51.2 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 O-C-N 120.997 -1.065 . . . . 0.0 111.407 168.316 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.02 -42.78 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.036 0.934 . . . . 0.0 110.278 -171.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.06 -40.5 58.45 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.219 2.208 . . . . 0.0 112.589 175.207 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.45 -75.03 0.16 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.787 1.235 . . . . 0.0 109.85 167.422 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.5 -61.41 0.81 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.585 1.954 . . . . 0.0 113.682 -165.327 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 69.6 t -42.02 -69.34 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.508 1.123 . . . . 0.0 112.378 -178.515 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -14.33 58.81 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -177.508 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -64.18 -64.3 0.92 Allowed 'General case' 0 C--O 1.235 0.316 0 O-C-N 120.945 -1.097 . . . . 0.0 110.388 176.041 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.59 -169.4 1.74 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.336 -0.853 . . . . 0.0 112.728 -168.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 66.94 155.86 0.1 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.645 1.578 . . . . 0.0 114.229 165.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -167.32 52.68 0.07 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.443 1.097 . . . . 0.0 110.072 171.239 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.4 t -160.89 125.61 3.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.395 1.078 . . . . 0.0 110.261 -177.489 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 102' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.9 mp0 -47.88 -56.43 7.55 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.887 2.475 . . . . 0.0 113.918 -164.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -63.62 -41.32 98.3 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.244 -0.91 . . . . 0.0 111.394 178.623 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -69.4 -36.43 76.74 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.173 -1.579 . . . . 0.0 109.972 -175.147 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.88 -39.07 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 117.554 -1.212 . . . . 0.0 111.919 166.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.273 0.6 OUTLIER -64.18 -40.16 95.51 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 121.824 2.102 . . . . 0.0 111.842 178.115 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -54.5 -56.96 13.5 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.174 0.989 . . . . 0.0 110.832 171.73 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.06 -54.53 43.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.982 0.913 . . . . 0.0 112.652 179.001 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 83.1 mt -54.87 -52.75 39.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 C-N-CA 124.372 1.069 . . . . 0.0 111.082 177.113 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.51 -36.76 67.06 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.658 -1.276 . . . . 0.0 112.122 176.863 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 29.2 m -62.76 -59.52 4.77 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.594 -0.691 . . . . 0.0 112.374 171.609 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.33 -40.83 78.79 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.661 -1.275 . . . . 0.0 112.516 178.1 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -59.02 -30.25 67.86 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.801 2.041 . . . . 0.0 111.555 170.317 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.293 93.8 m -78.91 -37.35 40.15 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 119.421 -2.05 . . . . 0.0 114.073 171.359 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -48.36 -62.16 1.63 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.248 0.931 . . . . 0.0 110.594 158.445 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -53.01 -44.48 67.32 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -52.64 -48.18 66.59 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.8 -1.187 . . . . 0.0 112.953 174.316 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.68 -45.77 50.48 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.834 0.826 . . . . 0.0 112.522 178.496 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -52.55 -46.4 66.79 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.047 -1.658 . . . . 0.0 111.9 173.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -74.36 6.94 3.19 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.655 1.582 . . . . 0.0 113.69 174.145 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -84.07 -33.68 24.36 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.191 1.396 . . . . 0.0 111.534 165.786 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -59.63 140.17 56.61 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.677 0.671 . . . . 0.0 111.994 172.725 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -121.28 125.84 48.05 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.58 1.952 . . . . 0.0 112.505 -165.51 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -72.31 104.17 3.63 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.067 -1.021 . . . . 0.0 110.474 174.749 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -78.97 -17.34 55.59 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.968 -1.082 . . . . 0.0 113.033 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 83.06 -49.83 0.16 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 150.378 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 107.04 61.59 0.58 Allowed Glycine 0 CA--C 1.534 1.234 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -162.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.9 t 70.59 179.45 0.24 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.269 1.428 . . . . 0.0 113.592 -170.504 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 58.9 mt 58.43 -175.12 0.08 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.028 1.331 . . . . 0.0 112.526 -173.284 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp . . . . . 0 CA--C 1.538 0.497 0 O-C-N 120.175 -1.578 . . . . 0.0 111.519 -175.162 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.3 p80 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.8 mmt -36.64 65.19 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 129.707 3.203 . . . . 0.0 118.889 -165.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.0 80.63 1.2 Allowed 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.22 -1.55 . . . . 0.0 112.446 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -66.32 64.76 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.308 1.843 . . . . 0.0 112.355 170.202 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.91 -86.99 0.61 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.614 1.566 . . . . 0.0 109.865 177.185 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.95 82.95 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 121.019 -1.051 . . . . 0.0 108.981 165.768 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.05 110.17 12.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.64 1.976 . . . . 0.0 110.814 -168.287 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.316 8.1 mp 79.36 64.12 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.714 2.005 . . . . 0.0 111.621 -173.223 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 t -81.83 -177.22 6.48 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.803 2.041 . . . . 0.0 112.376 166.61 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.59 -65.2 0.61 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -171.543 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -57.68 -52.36 65.74 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -177.615 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.02 -44.1 94.82 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.983 -1.073 . . . . 0.0 112.041 179.054 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.68 -43.97 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 120.746 -1.221 . . . . 0.0 112.168 172.757 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.28 -45.94 91.56 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.853 0.835 . . . . 0.0 110.902 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.56 HG12 ' CE2' ' A' ' 79' ' ' TYR . 14.5 t -74.29 -31.82 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 O-C-N 120.924 -1.11 . . . . 0.0 111.911 -179.494 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -37.6 29.5 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.825 -1.172 . . . . 0.0 113.007 165.555 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.5 -52.04 43.92 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.881 -0.512 . . . . 0.0 109.887 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.6 mt -55.5 -31.72 62.27 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.106 -0.996 . . . . 0.0 112.291 177.122 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.638 ' CE1' HD12 ' B' ' 124' ' ' LEU . 37.6 m-85 -62.07 -64.88 0.79 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.464 -1.397 . . . . 0.0 113.131 167.428 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -69.01 -37.05 78.44 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 120.049 1.295 . . . . 0.0 112.069 -171.49 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -63.48 -20.08 65.28 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.25 -1.531 . . . . 0.0 113.242 167.205 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -87.87 -1.88 58.26 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 119.79 -1.819 . . . . 0.0 112.793 167.653 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 58.37 46.85 14.72 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.729 2.412 . . . . 0.0 112.516 -167.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.9 mt -109.73 106.29 20.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 125.191 1.396 . . . . 0.0 109.829 167.262 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 133.94 50.5 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.001 -0.679 . . . . 0.0 109.651 165.121 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.6 mm -98.29 128.52 33.07 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.902 0.881 . . . . 0.0 109.603 170.646 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.04 143.45 25.9 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.952 1.768 . . . . 0.0 109.278 171.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 m -48.77 -36.44 16.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 126.059 1.743 . . . . 0.0 112.066 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.98 -37.22 52.3 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.449 1.899 . . . . 0.0 114.169 175.559 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.3 mm -60.14 -51.04 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 119.646 -1.909 . . . . 0.0 109.671 168.597 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 63.0 mt -70.84 -27.16 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.824 0.85 . . . . 0.0 111.501 -172.611 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -47.87 -66.31 0.42 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.855 2.062 . . . . 0.0 110.272 167.531 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.55 -63.77 1.05 Allowed 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.812 1.645 . . . . 0.0 110.869 178.134 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -53.2 20.76 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -164.274 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.06 -45.89 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.205 1.002 . . . . 0.0 113.431 172.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -23.02 67.23 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.098 -1.001 . . . . 0.0 112.857 178.894 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -84.64 -50.01 8.04 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.938 0.895 . . . . 0.0 111.685 168.646 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . 0.26 8.9 ptp85 41.37 73.51 0.13 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 128.296 2.638 . . . . 0.0 114.721 -172.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.6 165.07 10.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.565 1.146 . . . . 0.0 112.186 178.036 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -77.53 -62.65 1.59 Allowed 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.682 -1.261 . . . . 0.0 110.711 -164.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.4 t -91.61 151.05 20.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 122.756 1.265 . . . . 0.0 113.987 -175.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -34.67 -45.94 0.27 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.717 2.407 . . . . 0.0 112.35 155.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -58.02 -48.68 79.32 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.858 -1.152 . . . . 0.0 112.185 174.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -65.73 -50.16 65.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.053 -0.404 . . . . 0.0 110.648 -177.278 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.4 m -64.07 -37.04 78.8 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.375 178.662 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.259 0.9 OUTLIER -67.49 -43.13 81.66 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 120.65 1.568 . . . . 0.0 111.782 178.065 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.251 11.4 p30 -69.74 -40.82 75.94 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.795 1.179 . . . . 0.0 112.051 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -58.12 -57.3 13.44 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.837 0.855 . . . . 0.0 112.059 172.66 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 81.2 mt -52.82 -50.22 43.81 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 121.189 -0.944 . . . . 0.0 111.06 176.491 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.07 -38.26 70.43 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.953 -1.092 . . . . 0.0 112.446 175.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.4 m -62.87 -57.28 11.39 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.491 -0.756 . . . . 0.0 112.492 171.569 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -60.83 -28.87 69.13 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.566 -1.333 . . . . 0.0 112.825 177.336 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -74.94 -20.86 59.5 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.587 1.955 . . . . 0.0 111.643 171.532 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.261 95.7 m -76.92 -43.72 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 119.905 -1.747 . . . . 0.0 112.745 164.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -45.46 -63.14 1.02 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.174 0.897 . . . . 0.0 110.449 159.307 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -55.13 -42.12 72.62 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -31.3 72.44 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 120.218 -1.551 . . . . 0.0 114.105 175.737 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.61 -47.39 22.49 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 122.551 1.167 . . . . 0.0 111.332 173.663 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -54.2 -51.65 63.74 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.552 1.541 . . . . 0.0 111.571 176.307 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -68.75 0.17 4.62 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.532 -1.355 . . . . 0.0 114.059 174.03 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.52 -31.75 24.27 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.363 1.465 . . . . 0.0 112.012 167.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -60.47 146.19 45.6 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.166 0.894 . . . . 0.0 112.145 172.111 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -124.59 131.18 53.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.798 2.039 . . . . 0.0 111.635 -165.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.0 tp -86.36 105.9 17.03 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.017 -1.052 . . . . 0.0 110.319 174.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -67.7 4.63 1.04 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.35 -1.469 . . . . 0.0 114.108 177.795 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 71.07 -68.39 0.22 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.267 1.827 . . . . 0.0 112.943 178.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.23 -72.38 0.21 Allowed Glycine 0 CA--C 1.537 1.457 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -168.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.9 m -67.15 71.89 0.1 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.461 1.504 . . . . 0.0 111.816 170.609 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.6 69.25 0.41 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.64 1.176 . . . . 0.0 112.026 178.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.7 tptm . . . . . 0 CA--C 1.542 0.644 0 O-C-N 121.169 -0.957 . . . . 0.0 111.851 176.638 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 61' ' ' HIS . . . . . 0.477 ' HE2' ' CD ' ' B' ' 92' ' ' GLU . 38.7 m170 . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 25.3 ttm -78.5 66.85 4.14 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 122.69 1.233 . . . . 0.0 110.126 174.046 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -160.17 -168.3 2.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.491 1.917 . . . . 0.0 110.028 -173.071 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -74.27 46.76 0.27 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.239 1.416 . . . . 0.0 113.114 177.751 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . 0.327 9.6 t 50.86 -60.53 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.98 2.512 . . . . 0.0 115.741 -162.815 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 63.0 t -62.09 128.71 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 O-C-N 120.715 -1.241 . . . . 0.0 111.142 172.734 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -51.82 170.81 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.508 1.923 . . . . 0.0 114.38 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 68' ' ' LEU . . . . . 0.474 ' CD1' HG23 ' B' ' 91' ' ' ILE . 6.9 mp 64.09 101.08 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 169.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -124.89 178.11 5.67 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.212 2.605 . . . . 0.0 110.702 171.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.58 -65.07 0.16 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -167.163 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.8 p -65.04 -56.26 14.1 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -172.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 pm0 -62.89 -33.87 76.2 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.441 1.473 . . . . 0.0 112.262 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.77 -50.96 77.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 O-C-N 120.804 -1.185 . . . . 0.0 111.514 173.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.66 -38.45 69.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.968 1.366 . . . . 0.0 111.483 175.541 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 t -73.6 -33.15 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.794 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -30.66 65.2 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.135 -0.978 . . . . 0.0 112.988 169.004 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.5 -53.71 8.21 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.256 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.9 mt -49.92 -40.16 42.41 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.295 -0.878 . . . . 0.0 111.601 170.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -55.84 -54.95 38.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 120.801 -1.187 . . . . 0.0 113.264 171.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.265 23.4 mm-40 -73.78 -21.77 60.06 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.89 1.677 . . . . 0.0 113.361 -178.568 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -55.27 -40.12 70.62 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.111 -1.618 . . . . 0.0 111.693 157.52 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 23.7 p -82.1 6.76 15.34 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 171.179 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 50.36 53.2 13.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.816 2.046 . . . . 0.0 112.804 -169.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 84' ' ' ILE . . . . . 0.645 HG23 ' CZ ' ' B' ' 113' ' ' ARG . 36.1 mt -114.69 102.6 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 178.427 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -66.77 123.52 20.36 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 120.96 -1.088 . . . . 0.0 108.623 160.367 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 36.1 mm -88.52 129.06 50.56 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 124.404 1.082 . . . . 0.0 109.865 171.653 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -51.74 138.19 50.36 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.219 1.946 . . . . 0.0 112.587 172.144 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.5 t -50.34 -44.86 54.58 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.893 0.877 . . . . 0.0 111.581 176.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.88 -43.34 49.25 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.709 1.204 . . . . 0.0 113.738 173.52 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.9 mm -56.34 -56.63 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 120.949 -1.094 . . . . 0.0 110.264 172.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 91' ' ' ILE . . . . . 0.474 HG23 ' CD1' ' B' ' 68' ' ' LEU . 60.1 mt -54.25 -44.69 66.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.735 0.814 . . . . 0.0 110.804 -176.495 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.477 ' CD ' ' HE2' ' B' ' 61' ' ' HIS . 24.0 tp10 -57.35 -59.84 4.53 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.973 174.862 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.11 -51.74 60.9 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.137 -0.977 . . . . 0.0 110.842 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.64 -49.26 57.36 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.472 0.709 . . . . 0.0 112.867 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.36 -30.85 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 124.073 0.949 . . . . 0.0 112.752 175.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.25 -55.4 10.65 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.847 -1.158 . . . . 0.0 112.27 168.662 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -65.35 -37.29 86.59 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -174.751 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 54.79 75.52 0.3 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.154 1.381 . . . . 0.0 114.181 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.07 154.54 29.34 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.434 -0.791 . . . . 0.0 109.696 161.554 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.66 -56.49 2.77 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -164.18 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 6.7 p -87.9 157.81 18.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.107 1.321 . . . . 0.0 113.928 178.506 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -44.09 -49.92 8.7 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.806 2.042 . . . . 0.0 111.7 174.427 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.55 -45.31 73.44 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.438 1.095 . . . . 0.0 111.984 -178.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -67.27 -48.72 66.87 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.703 0.401 . . . . 0.0 110.937 -176.186 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.78 -43.6 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.171 178.435 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.306 3.9 pp -65.4 -30.15 70.93 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.501 -1.374 . . . . 0.0 113.38 177.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.4 -60.06 3.86 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.692 -1.255 . . . . 0.0 111.804 171.634 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.93 -44.27 86.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.628 0.371 . . . . 0.0 111.205 -179.087 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 92.3 mt -58.6 -53.85 41.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.319 -0.863 . . . . 0.0 113.009 173.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.81 -39.03 65.17 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 121.229 1.831 . . . . 0.0 112.095 175.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 22.5 m -62.39 -62.58 1.65 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.004 0.922 . . . . 0.0 112.529 175.056 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -55.9 -35.75 66.91 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.664 1.186 . . . . 0.0 112.108 177.358 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 113' ' ' ARG . . . . . 0.645 ' CZ ' HG23 ' B' ' 84' ' ' ILE . 23.3 ttt-85 -65.37 -30.43 71.26 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 119.622 -1.924 . . . . 0.0 111.754 173.335 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.268 54.5 m -73.18 -36.73 66.64 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.694 -1.254 . . . . 0.0 114.111 168.522 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.48 -62.05 1.76 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.442 1.019 . . . . 0.0 110.565 159.373 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -50.33 -47.17 55.9 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -48.48 -55.05 12.0 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.853 -1.155 . . . . 0.0 113.073 171.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.3 -40.97 98.84 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.212 -0.93 . . . . 0.0 112.094 177.75 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -59.04 -35.54 73.49 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.566 -1.334 . . . . 0.0 112.213 175.115 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -72.81 -11.41 60.59 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 120.038 -1.664 . . . . 0.0 113.188 171.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -94.39 -43.37 8.41 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.069 1.747 . . . . 0.0 112.398 -174.401 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -43.74 145.6 0.65 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -176.277 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 134.14 56.75 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.019 1.728 . . . . 0.0 114.928 174.499 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -107.05 124.49 49.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.685 1.194 . . . . 0.0 109.243 154.585 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.31 26.85 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -179.857 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? 61.61 -63.22 0.09 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.809 2.044 . . . . 0.0 114.122 -173.17 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.58 -76.55 0.52 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.228 0.918 . . . . 0.0 112.854 -179.298 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 78.6 p -76.66 65.03 2.37 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.191 -1.182 . . . . 0.0 111.517 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.99 75.71 0.65 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.489 1.116 . . . . 0.0 111.639 -176.433 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 CA--C 1.538 0.495 0 C-N-CA 125.321 1.449 . . . . 0.0 111.462 177.321 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 120.65 0.262 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 t -61.38 162.37 7.97 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.549 -0.719 . . . . 0.0 110.762 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.81 80.93 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.725 -1.234 . . . . 0.0 113.147 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.5 p -65.95 -49.03 69.33 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.935 -1.103 . . . . 0.0 112.686 171.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -55.62 -55.12 35.83 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.335 -0.853 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.85 -41.41 79.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.888 1.275 . . . . 0.0 111.648 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.81 75.83 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 122.074 0.94 . . . . 0.0 111.572 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.551 HG12 ' CE2' ' A' ' 79' ' ' TYR . 19.1 t -74.22 -38.93 48.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 O-C-N 120.654 -1.279 . . . . 0.0 111.577 -176.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.37 -41.27 2.8 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.654 1.582 . . . . 0.0 113.175 165.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.96 -54.13 24.94 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.0 mt -48.96 -41.52 34.36 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.713 -0.617 . . . . 0.0 112.513 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' HG12 ' A' ' 75' ' ' VAL . 54.6 m-85 -57.28 -65.18 0.67 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.921 1.237 . . . . 0.0 112.93 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.28 -41.19 98.98 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.425 0.557 . . . . 0.0 110.05 -171.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -61.03 -37.19 81.73 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.418 -1.426 . . . . 0.0 113.271 168.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.6 m -65.25 -8.47 17.87 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 119.58 -1.95 . . . . 0.0 113.471 168.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 73.66 23.94 2.29 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 129.162 2.985 . . . . 0.0 112.835 -172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mp -93.54 100.75 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.43 131.95 46.18 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.229 171.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.5 mm -92.16 129.7 40.56 Favored Pre-proline 0 CA--C 1.548 0.88 0 O-C-N 121.821 -0.549 . . . . 0.0 111.268 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -58.63 124.23 15.32 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.328 2.019 . . . . 0.0 110.423 165.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.2 p -49.82 -37.79 31.96 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.09 -54.21 3.67 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.509 1.123 . . . . 0.0 113.665 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 pt -73.95 -20.75 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 120.428 -1.42 . . . . 0.0 113.67 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.61 -45.95 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.89 1.223 . . . . 0.0 109.44 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.85 -49.0 59.92 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.986 1.714 . . . . 0.0 111.564 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.41 -61.69 2.41 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.304 1.042 . . . . 0.0 110.733 171.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.17 -50.43 58.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.553 0.741 . . . . 0.0 112.233 -171.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.07 -38.37 29.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.026 1.33 . . . . 0.0 112.689 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -46.06 68.52 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.569 1.148 . . . . 0.0 112.33 173.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -58.64 -41.84 86.93 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.268 0.556 . . . . 0.0 112.032 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 58.18 69.39 0.74 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.468 1.507 . . . . 0.0 114.314 170.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.6 mt -78.54 175.58 10.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.412 1.085 . . . . 0.0 112.447 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -94.1 -49.85 5.57 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.792 1.237 . . . . 0.0 112.058 -173.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.5 t -124.14 152.39 42.86 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -164.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -40.71 -48.35 2.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 129.276 3.03 . . . . 0.0 112.021 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -63.42 -42.84 98.74 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.518 -0.739 . . . . 0.0 112.755 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -64.72 -46.49 82.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.314 -0.866 . . . . 0.0 111.008 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.68 -44.84 93.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 O-C-N 121.909 -0.495 . . . . 0.0 110.277 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.519 ' HB3' HG11 ' A' ' 75' ' ' VAL . 2.8 pp -64.67 -31.6 72.89 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 120.783 -1.198 . . . . 0.0 112.46 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.39 -61.25 2.22 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.69 1.132 . . . . 0.0 110.476 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -50.31 -58.81 4.82 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.842 1.257 . . . . 0.0 111.273 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.405 HD13 ' CE2' ' A' ' 79' ' ' TYR . 77.5 mt -51.49 -49.09 34.02 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 O-C-N 121.637 -0.664 . . . . 0.0 111.438 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.34 -42.92 99.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 120.635 1.561 . . . . 0.0 113.012 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.1 p -59.61 -51.76 68.45 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.43 -0.794 . . . . 0.0 111.572 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.34 -32.92 73.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 123.16 1.457 . . . . 0.0 112.374 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -70.4 -19.36 63.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.433 -2.042 . . . . 0.0 112.361 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.7 m -90.07 -37.49 14.23 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.094 -1.629 . . . . 0.0 113.077 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -44.86 -54.47 6.38 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.144 0.884 . . . . 0.0 110.149 154.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.432 ' HA ' ' CE3' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -53.64 -50.25 66.14 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 178.33 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -49.45 -48.26 47.66 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.976 -1.078 . . . . 0.0 113.015 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.3 mt -58.62 -55.08 39.67 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.16 0.891 . . . . 0.0 112.603 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -64.02 -17.23 63.14 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.231 -1.543 . . . . 0.0 113.942 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -84.39 -18.17 36.96 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 119.77 -1.831 . . . . 0.0 112.757 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -99.1 -50.06 4.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.095 2.158 . . . . 0.0 112.799 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -49.14 146.91 3.25 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -167.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -42.66 109.71 0.15 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 129.179 2.992 . . . . 0.0 114.85 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 18.5 tp -103.29 118.74 37.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.814 1.188 . . . . 0.0 109.554 142.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.74 28.93 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 CA--C 1.543 0.711 0 C-N-CA 126.746 2.018 . . . . 0.0 114.116 -177.684 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.291 6.8 mp . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 123.608 1.67 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.94 173.47 7.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 128.32 2.648 . . . . 0.0 111.155 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.52 -66.01 0.14 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.0 p -59.5 -58.37 8.89 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -63.01 -33.5 75.56 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.543 -1.348 . . . . 0.0 112.504 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.59 -49.95 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 121.214 -0.929 . . . . 0.0 111.323 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.12 69.64 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 122.324 1.059 . . . . 0.0 111.224 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.75 -37.03 54.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.624 -0.672 . . . . 0.0 112.66 176.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.57 -36.17 77.85 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 167.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.58 -51.14 53.93 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 53.9 mt -47.42 -50.85 21.72 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.0 -1.063 . . . . 0.0 112.27 170.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -47.14 -54.37 10.75 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.826 1.194 . . . . 0.0 112.783 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.251 6.8 mm-40 -83.73 -27.11 29.18 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -171.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -48.27 -46.43 35.82 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.286 -1.509 . . . . 0.0 109.636 154.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.77 -12.51 60.42 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.401 0.1 OUTLIER 63.87 51.41 2.36 Favored 'General case' 0 CA--C 1.546 0.81 1 C-N-CA 132.294 4.237 . . . . 0.0 116.066 -169.717 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.11 105.83 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.168 1.387 . . . . 0.0 111.331 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.49 130.03 40.8 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.076 -1.015 . . . . 0.0 110.372 171.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 31.8 mm -93.94 132.62 29.21 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 120.912 -1.118 . . . . 0.0 111.583 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -62.76 131.11 31.84 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.674 2.249 . . . . 0.0 110.936 166.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 34.6 p -41.0 -48.29 3.18 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.344 1.058 . . . . 0.0 111.686 167.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.07 -48.03 1.61 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 173.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 22.2 mm -51.98 -53.42 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 121.484 -0.76 . . . . 0.0 110.581 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -68.95 -46.04 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.201 1.0 . . . . 0.0 110.555 -172.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.26 -26.97 31.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 128.317 2.647 . . . . 0.0 113.975 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -84.58 -74.92 0.37 Allowed 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.553 1.141 . . . . 0.0 110.336 163.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.454 HD23 ' CD1' ' B' ' 108' ' ' TYR . 0.8 OUTLIER -40.74 -55.78 2.33 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 127.484 2.314 . . . . 0.0 113.469 -169.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.54 -17.08 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -172.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -77.46 -52.51 8.98 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.029 -1.044 . . . . 0.0 112.151 168.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -59.88 -28.49 67.59 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.352 1.061 . . . . 0.0 113.282 -168.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER 57.33 107.54 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.727 2.011 . . . . 0.0 115.539 177.228 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 72.6 mt -107.52 171.75 7.21 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.745 -1.222 . . . . 0.0 112.108 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -74.22 -39.37 63.14 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -158.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 9.4 t -171.22 -178.83 2.5 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.9 1.28 . . . . 0.0 109.603 -165.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -65.02 -51.44 61.55 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.216 1.406 . . . . 0.0 112.025 -159.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -58.42 -34.09 70.4 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.029 -1.044 . . . . 0.0 111.922 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -72.87 -40.22 65.8 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.716 1.206 . . . . 0.0 110.79 -173.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.49 -47.01 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.538 166.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.259 1.2 pp -63.69 -34.31 77.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.38 1.445 . . . . 0.0 112.422 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.9 -57.96 9.03 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.92 0.888 . . . . 0.0 110.459 170.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . 0.454 ' CD1' HD23 ' B' ' 94' ' ' LEU . 52.7 t80 -58.2 -54.1 50.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.085 0.554 . . . . 0.0 112.311 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 93.5 mt -51.47 -54.14 13.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 123.558 0.743 . . . . 0.0 111.213 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -55.25 -36.66 66.29 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.075 -1.015 . . . . 0.0 112.6 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 39.3 m -63.28 -59.84 4.19 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.577 -0.702 . . . . 0.0 112.415 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.39 -34.76 72.83 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-O 122.644 1.212 . . . . 0.0 112.258 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -63.17 -36.55 84.0 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.309 1.844 . . . . 0.0 111.468 170.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 58.4 m -69.38 -41.85 75.95 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 120.975 -1.078 . . . . 0.0 113.35 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -48.07 -55.9 9.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.563 0.62 . . . . 0.0 110.717 160.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -54.65 -42.04 70.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.281 15.4 pttm -62.11 -51.68 66.94 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.326 1.875 . . . . 0.0 113.605 171.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.69 -31.06 71.85 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.947 1.248 . . . . 0.0 112.412 -175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -62.7 -53.97 46.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.321 1.448 . . . . 0.0 111.488 168.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.2 -3.85 22.42 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 120.249 -1.532 . . . . 0.0 114.732 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.31 -40.01 58.92 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.312 2.245 . . . . 0.0 113.039 162.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -56.35 152.62 10.95 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -168.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 103.69 14.04 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 -172.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 79' ' ' TYR . 15.5 tp -87.25 112.9 22.49 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.288 -1.508 . . . . 0.0 108.829 154.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -70.67 29.85 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.99 1.716 . . . . 0.0 114.843 -175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.795 0 C-N-CA 125.814 1.646 . . . . 0.0 114.33 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.8 mp . . . . . 0 CA--C 1.539 0.555 0 CA-C-O 123.156 1.455 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -71.84 167.93 18.96 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.887 1.275 . . . . 0.0 112.177 166.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.59 -49.25 14.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.808 1.243 . . . . 0.0 113.671 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.41 -66.2 0.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -61.28 -31.24 71.07 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 120.278 -1.514 . . . . 0.0 112.287 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.98 -48.63 87.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 119.054 0.843 . . . . 0.0 111.037 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.45 79.86 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 122.074 0.94 . . . . 0.0 111.768 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 79' ' ' TYR . 8.0 t -73.26 -34.92 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 O-C-N 120.721 -1.237 . . . . 0.0 112.16 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.31 -36.8 81.09 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.938 1.695 . . . . 0.0 113.706 172.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.15 -56.58 17.4 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.78 -33.39 70.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.542 ' CE2' HG12 ' A' ' 75' ' ' VAL . 13.6 m-85 -56.29 -53.64 54.9 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 120.957 -1.089 . . . . 0.0 111.249 170.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -72.44 -27.84 62.57 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.905 1.229 . . . . 0.0 112.94 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -56.65 -38.35 72.03 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.08 -1.638 . . . . 0.0 111.915 161.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.0 p -81.23 5.43 17.08 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.956 -1.09 . . . . 0.0 113.868 170.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 47.38 54.25 9.82 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.788 2.035 . . . . 0.0 112.498 -171.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.554 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 17.8 mt -113.15 109.0 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 125.986 1.714 . . . . 0.0 111.949 175.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -68.45 125.77 27.51 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.092 -1.005 . . . . 0.0 108.522 161.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.6 mm -84.68 127.16 66.49 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 120.811 -1.181 . . . . 0.0 109.111 166.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -52.28 134.05 49.74 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 121.206 1.271 . . . . 0.0 111.314 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.5 m -44.69 -44.36 9.06 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 124.871 1.268 . . . . 0.0 110.219 165.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.26 12.24 0.09 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.33 1.852 . . . . 0.0 115.463 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.9 mm -101.52 -54.27 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.214 -1.553 . . . . 0.0 108.432 157.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.29 -40.74 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 125.443 1.497 . . . . 0.0 110.518 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -30.07 -68.58 0.07 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.006 2.123 . . . . 0.0 112.845 164.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.76 -51.21 17.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.735 1.214 . . . . 0.0 112.134 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.37 -49.78 12.77 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.91 1.284 . . . . 0.0 112.641 -170.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.7 t -53.52 -39.41 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.978 0.911 . . . . 0.0 113.21 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -77.8 -48.81 15.65 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.537 1.135 . . . . 0.0 112.488 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -56.52 -31.81 64.48 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.506 0.669 . . . . 0.0 111.284 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? 60.58 52.01 4.78 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.741 1.216 . . . . 0.0 112.465 157.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.48 165.92 17.97 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.387 -0.821 . . . . 0.0 111.018 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -101.55 -47.51 4.63 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -162.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.1 p -108.96 164.6 12.26 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.659 1.183 . . . . 0.0 113.273 -175.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -49.44 -41.14 39.18 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 170.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -61.03 -43.29 99.1 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 121.402 -0.811 . . . . 0.0 112.41 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -68.22 -51.95 39.68 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.751 0.31 . . . . 0.0 110.93 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.527 HG23 HG21 ' A' ' 75' ' ' VAL . 14.1 m -64.9 -39.51 85.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.284 -177.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.18 -44.39 92.18 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 120.196 1.362 . . . . 0.0 111.731 177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -71.57 -43.53 66.17 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 118.04 -1.464 . . . . 0.0 111.923 -176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -61.34 -51.12 70.16 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.832 -0.543 . . . . 0.0 111.517 174.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 80.2 mt -53.82 -54.39 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 O-C-N 121.255 -0.903 . . . . 0.0 112.003 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' B' ' 123' ' ' LYS . 38.1 mt-10 -59.5 -38.67 81.51 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.165 -1.585 . . . . 0.0 112.687 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.5 m -58.03 -58.03 10.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.287 -0.883 . . . . 0.0 112.148 171.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -54.98 -39.57 69.13 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.167 -0.958 . . . . 0.0 112.185 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.554 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 23.2 ttt-85 -61.95 -27.83 69.11 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 119.984 -1.697 . . . . 0.0 111.499 175.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.265 89.0 m -78.57 -34.96 46.56 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 167.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -59.36 3.95 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.318 1.417 . . . . 0.0 110.041 159.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -52.69 -47.45 67.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -45.06 -48.56 11.8 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.74 -1.225 . . . . 0.0 112.808 169.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.95 -42.85 84.51 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.206 -0.934 . . . . 0.0 112.874 174.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.48 -15.26 62.47 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.042 -1.662 . . . . 0.0 113.489 171.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -84.93 -2.94 58.47 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 119.516 -1.99 . . . . 0.0 113.198 167.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -116.94 -45.53 2.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.482 1.913 . . . . 0.0 112.301 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -52.11 148.86 5.75 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -42.44 100.1 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.198 2.999 . . . . 0.0 114.908 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.656 HD12 ' CD1' ' B' ' 79' ' ' TYR . 4.4 tt -80.56 116.68 20.72 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.813 1.642 . . . . 0.0 107.182 141.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . 0.437 ' N ' HD23 ' A' ' 124' ' ' LEU . 0.1 OUTLIER -72.2 36.54 0.07 Allowed 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.117 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? . . . . . 0 CA--C 1.541 0.612 0 C-N-CA 127.011 2.125 . . . . 0.0 113.649 -168.024 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 CA--C 1.544 0.742 0 CA-C-O 123.194 1.473 . . . . 0.0 111.547 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -78.44 -176.53 4.81 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.409 1.1 . . . . 0.0 112.455 169.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.11 -58.39 7.19 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.839 1.256 . . . . 0.0 114.384 -168.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.8 p -62.5 -50.04 72.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -63.91 -41.56 97.64 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.115 -0.991 . . . . 0.0 111.77 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.4 -45.31 99.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 O-C-N 121.051 -1.031 . . . . 0.0 111.509 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.67 89.5 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 122.174 0.988 . . . . 0.0 110.947 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.05 -35.96 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 O-C-N 121.404 -0.81 . . . . 0.0 111.851 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -48.12 77.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.515 1.126 . . . . 0.0 112.094 172.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.11 -48.32 82.02 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.705 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.88 -29.48 68.35 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.18 -0.95 . . . . 0.0 112.818 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.656 ' CD1' HD12 ' A' ' 124' ' ' LEU . 58.6 m-85 -58.32 -56.5 21.29 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 120.779 1.627 . . . . 0.0 112.277 165.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -73.58 -39.51 64.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.695 1.134 . . . . 0.0 113.235 -173.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -57.89 -24.11 56.2 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.089 -1.632 . . . . 0.0 112.529 164.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.4 m -82.24 -15.77 51.9 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.088 -1.633 . . . . 0.0 115.401 166.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.442 ' C ' HD12 ' B' ' 84' ' ' ILE . 16.3 t-20 80.53 44.53 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 130.49 3.516 . . . . 0.0 113.363 -173.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.442 HD12 ' C ' ' B' ' 83' ' ' ASN . 2.1 mp -126.76 125.76 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 126.324 1.849 . . . . 0.0 108.603 173.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.49 155.16 23.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.917 1.235 . . . . 0.0 109.78 161.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 8.6 mm -105.7 130.26 23.33 Favored Pre-proline 0 N--CA 1.469 0.513 0 O-C-N 120.72 -1.238 . . . . 0.0 110.344 170.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -56.44 126.99 24.13 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.799 1.666 . . . . 0.0 111.061 171.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 87.6 p -49.66 -35.87 22.86 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.248 0.619 . . . . 0.0 111.189 171.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -52.51 -18.8 1.86 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 pt -106.01 -24.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.367 -1.458 . . . . 0.0 112.442 173.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.4 mt -63.24 -38.21 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 O-C-N 121.049 -1.032 . . . . 0.0 110.268 164.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -35.82 -52.12 0.71 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.398 2.679 . . . . 0.0 112.649 170.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.75 -65.19 1.02 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.874 2.07 . . . . 0.0 111.146 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.545 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.1 tm? -52.02 -43.93 63.92 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.619 1.168 . . . . 0.0 113.48 -166.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.73 -12.61 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -177.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.73 -46.99 10.19 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.207 -0.933 . . . . 0.0 110.982 162.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -49.14 -46.27 44.93 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.147 0.979 . . . . 0.0 112.448 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 50.92 76.19 0.16 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.388 1.075 . . . . 0.0 112.608 169.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.82 164.21 22.87 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.246 1.018 . . . . 0.0 110.197 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -75.21 -62.38 1.58 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.845 -1.159 . . . . 0.0 110.707 -172.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 48.0 t -92.92 151.56 19.87 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -34.87 -46.26 0.3 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.001 2.52 . . . . 0.0 111.51 156.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -60.7 -48.89 79.75 Favored 'General case' 0 C--O 1.223 -0.312 0 O-C-N 121.316 -0.865 . . . . 0.0 111.467 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.37 -48.06 79.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.204 -0.935 . . . . 0.0 111.139 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 25.9 m -66.46 -38.84 82.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.823 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.82 -39.27 87.64 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.903 1.683 . . . . 0.0 111.534 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.0 -54.63 44.71 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.3 0.954 . . . . 0.0 110.349 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . 0.545 ' CD2' HD23 ' B' ' 94' ' ' LEU . 45.7 t80 -60.14 -55.45 33.72 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.262 1.025 . . . . 0.0 112.059 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.2 mt -54.31 -47.61 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.779 0.832 . . . . 0.0 111.744 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.81 -36.83 75.12 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 120.311 -1.493 . . . . 0.0 112.117 174.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 39.5 m -63.83 -55.27 24.14 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.007 -1.058 . . . . 0.0 112.606 172.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -51.87 -45.24 64.03 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 123.31 1.529 . . . . 0.0 112.124 171.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -62.26 -21.34 65.12 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 119.627 -1.921 . . . . 0.0 111.659 173.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.272 63.4 m -80.8 -38.46 28.41 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 119.343 -2.098 . . . . 0.0 114.101 165.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.9 -57.44 4.35 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.784 1.174 . . . . 0.0 110.556 158.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -57.53 -39.12 75.89 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -55.68 -50.21 70.87 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.44 -1.412 . . . . 0.0 112.595 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.68 -49.64 75.69 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.251 0.932 . . . . 0.0 111.503 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -51.83 -55.59 19.07 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.777 -1.202 . . . . 0.0 112.155 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -70.49 -4.22 21.75 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.69 -1.256 . . . . 0.0 113.782 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -84.78 -26.49 27.51 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.725 1.61 . . . . 0.0 112.887 163.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.74 140.47 58.74 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.343 1.429 . . . . 0.0 111.32 168.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 110' ' ' GLU . 8.7 tmtm? -116.56 128.7 55.66 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.08 1.752 . . . . 0.0 111.235 -175.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 79' ' ' TYR . 21.9 tp -77.29 93.01 3.94 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.716 -1.24 . . . . 0.0 110.563 175.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -67.64 -10.65 54.06 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.568 -1.333 . . . . 0.0 113.948 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 . . . . . 0 CA--C 1.534 0.334 0 C-N-CA 126.669 1.988 . . . . 0.0 115.796 172.496 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.1 mt . . . . . 0 CA--C 1.539 0.552 0 CA-C-O 122.856 1.312 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -74.6 168.69 19.29 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.801 1.24 . . . . 0.0 111.56 165.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.46 -54.66 3.77 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.0 p -59.92 -57.45 12.82 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.2 pm0 -63.11 -32.62 74.04 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.523 -1.361 . . . . 0.0 112.324 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.39 -48.6 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 120.853 -1.154 . . . . 0.0 111.747 172.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.87 -37.64 66.51 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 122.245 1.022 . . . . 0.0 111.28 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.26 57.4 t -80.33 -37.21 16.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.75 -45.77 14.72 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.773 -1.205 . . . . 0.0 113.59 161.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -70.41 -45.69 65.42 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.767 -0.583 . . . . 0.0 110.135 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.5 mt -47.78 -38.1 14.96 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.087 -1.633 . . . . 0.0 112.692 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CE1' HD12 ' B' ' 124' ' ' LEU . 37.1 m-85 -59.01 -59.64 5.14 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.676 -1.265 . . . . 0.0 113.657 168.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -84.63 -26.33 27.93 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -168.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -44.15 -49.19 9.12 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 123.014 1.388 . . . . 0.0 109.85 152.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 t -82.63 -0.68 48.23 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.16 38.25 1.96 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.359 2.664 . . . . 0.0 112.455 173.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.4 mt -103.06 113.19 39.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 125.953 1.701 . . . . 0.0 112.588 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -67.14 132.21 47.37 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.146 -0.971 . . . . 0.0 110.154 162.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mm -95.11 123.51 56.96 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 123.909 0.884 . . . . 0.0 109.723 167.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -67.94 104.39 1.0 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 N-CA-C 108.36 -1.439 . . . . 0.0 108.36 168.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -42.99 -22.65 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.148 2.579 . . . . 0.0 117.107 -168.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -43.86 -50.59 7.9 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.53 1.059 . . . . 0.0 112.403 165.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 mm -38.02 -54.71 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.035 1.334 . . . . 0.0 111.674 166.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.4 mt -73.04 -45.7 53.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 124.384 1.074 . . . . 0.0 110.085 -171.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -48.51 -57.49 6.07 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.036 0.935 . . . . 0.0 111.319 173.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -59.25 -56.54 20.86 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.868 0.842 . . . . 0.0 110.686 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.9 OUTLIER -55.69 -47.56 76.56 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.146 -0.972 . . . . 0.0 112.263 -175.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.51 -48.35 58.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.439 1.096 . . . . 0.0 112.031 169.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -56.59 -37.38 70.55 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.001 0.819 . . . . 0.0 113.025 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -79.11 -63.96 1.29 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.3 113.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.789 2.436 . . . . 0.0 114.322 -166.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -92.86 179.23 5.52 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.113 0.965 . . . . 0.0 109.378 158.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -81.72 -46.97 13.52 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.22 -0.925 . . . . 0.0 112.636 -167.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 t -129.5 160.19 33.96 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -170.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -36.39 -51.51 0.81 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.781 2.433 . . . . 0.0 113.338 171.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.95 -39.86 87.0 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.022 -1.048 . . . . 0.0 112.418 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.89 -47.61 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.89 -0.506 . . . . 0.0 110.503 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.1 m -65.72 -36.15 76.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.073 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.1 pp -63.78 -39.99 95.59 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.389 1.449 . . . . 0.0 111.059 173.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -57.81 -54.57 45.36 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.188 0.903 . . . . 0.0 111.647 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.425 ' CD1' HD23 ' A' ' 94' ' ' LEU . 43.1 t80 -56.22 -58.71 6.8 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.304 1.041 . . . . 0.0 112.02 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -50.82 -52.11 18.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 123.843 0.857 . . . . 0.0 110.737 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.71 -40.28 75.37 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 120.672 -1.267 . . . . 0.0 112.46 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 35.1 m -60.58 -55.13 37.07 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.218 -0.926 . . . . 0.0 112.225 171.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.17 -32.89 73.57 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.127 1.371 . . . . 0.0 112.313 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -67.24 -24.42 65.81 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.046 2.538 . . . . 0.0 111.061 169.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.259 88.1 m -83.47 -38.09 22.3 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 119.253 -2.154 . . . . 0.0 113.741 169.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -48.8 -57.08 6.93 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.36 0.982 . . . . 0.0 111.016 160.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -54.66 -41.22 69.88 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -53.65 -47.09 70.67 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.783 -1.823 . . . . 0.0 113.066 167.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -49.03 79.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.126 0.57 . . . . 0.0 110.799 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -54.1 -41.66 68.55 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 120.356 -1.465 . . . . 0.0 112.719 171.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -72.55 -11.77 60.79 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.618 -1.301 . . . . 0.0 113.179 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -48.18 6.51 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.112 1.765 . . . . 0.0 112.286 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -31.56 130.98 0.12 Allowed 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -173.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -46.66 132.68 10.92 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.119 1.768 . . . . 0.0 114.904 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -124.83 123.13 39.29 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.266 1.426 . . . . 0.0 108.907 158.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -74.49 25.6 0.08 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? . . . . . 0 CA--C 1.545 0.779 0 C-N-CA 126.473 1.909 . . . . 0.0 114.582 -179.532 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp . . . . . 0 CA--C 1.545 0.767 0 CA-C-O 122.053 0.93 . . . . 0.0 112.962 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.1 t -103.95 -175.96 2.95 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.259 -0.901 . . . . 0.0 112.124 167.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.74 -67.89 0.19 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -163.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 85.8 m -61.22 -52.24 65.62 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.378 -0.827 . . . . 0.0 112.579 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -61.88 -38.8 89.68 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.667 -1.27 . . . . 0.0 112.426 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.0 -47.19 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 O-C-N 120.951 -1.093 . . . . 0.0 111.308 169.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.3 64.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.199 1.0 . . . . 0.0 111.666 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.43 -39.37 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 O-C-N 121.44 -0.787 . . . . 0.0 112.777 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -51.95 -41.1 61.8 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 164.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.08 -48.26 66.03 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 23.0 mt -47.18 -40.33 15.72 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 119.895 -1.753 . . . . 0.0 112.953 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 124' ' ' LEU . 26.7 m-85 -57.28 -62.11 2.0 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.514 -1.366 . . . . 0.0 113.485 169.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -82.07 -29.02 32.07 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.027 1.285 . . . . 0.0 114.176 -168.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -42.85 -55.25 3.77 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 122.926 1.346 . . . . 0.0 109.754 156.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 13.8 t -64.15 -47.7 78.88 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.773 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 124.14 34.87 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 131.643 3.977 . . . . 0.0 113.791 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 94.6 mt -105.49 115.7 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.817 1.647 . . . . 0.0 113.87 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -75.9 133.71 40.46 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.23 -0.919 . . . . 0.0 111.254 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 7.8 mm -103.61 134.52 19.7 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.283 1.433 . . . . 0.0 111.266 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -78.66 98.32 1.19 Allowed 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.274 1.982 . . . . 0.0 110.045 170.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -26.94 -41.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 128.867 2.867 . . . . 0.0 118.093 -174.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -32.18 -55.14 0.32 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.31 1.444 . . . . 0.0 113.851 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 25.2 pt -64.7 -36.01 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 120.988 -1.07 . . . . 0.0 113.152 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 47.4 mt -60.65 -47.22 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 O-C-N 121.288 -0.883 . . . . 0.0 110.238 172.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -57.58 -60.59 3.44 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.947 0.404 . . . . 0.0 111.031 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.15 -44.42 83.4 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.812 -1.18 . . . . 0.0 110.704 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.2 tm? -54.98 -43.79 73.84 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.132 -0.98 . . . . 0.0 112.199 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.2 t -57.24 -47.75 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 O-C-N 120.746 -1.221 . . . . 0.0 113.121 167.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -55.31 -48.69 73.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.263 0.938 . . . . 0.0 112.954 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -68.59 -56.83 6.95 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 120.302 -1.499 . . . . 0.0 111.608 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 69.13 72.63 0.26 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.84 2.856 . . . . 0.0 115.058 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.98 156.7 30.42 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.4 -0.813 . . . . 0.0 111.059 163.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -87.18 -65.89 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 120.971 -1.081 . . . . 0.0 111.925 -158.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 14.9 t -88.25 156.93 18.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.111 0.958 . . . . 0.0 113.492 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 1.9 mp0 -42.82 -46.95 5.42 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.459 1.904 . . . . 0.0 111.694 173.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -61.06 -44.07 97.93 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.329 -0.857 . . . . 0.0 111.868 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -64.8 -49.47 70.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.463 -0.773 . . . . 0.0 110.947 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.0 m -65.66 -40.08 86.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.384 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.291 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.269 1.3 pp -64.34 -39.98 94.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.105 1.32 . . . . 0.0 111.638 174.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.39 -53.77 53.49 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.721 1.146 . . . . 0.0 110.831 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . 0.53 ' CD2' HD23 ' B' ' 94' ' ' LEU . 53.2 t80 -59.04 -59.68 5.08 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.835 1.254 . . . . 0.0 112.431 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.4 -51.15 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.026 0.93 . . . . 0.0 110.695 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.51 -40.11 74.47 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.586 -1.321 . . . . 0.0 112.765 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.8 m -61.14 -55.45 32.25 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.447 -0.783 . . . . 0.0 111.941 171.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.33 -44.76 95.19 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.727 -1.233 . . . . 0.0 113.033 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -48.85 -35.95 15.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.397 1.879 . . . . 0.0 111.645 166.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.261 95.8 m -75.46 -35.55 60.85 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.23 -1.544 . . . . 0.0 114.28 171.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -50.27 -60.65 2.77 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.593 1.088 . . . . 0.0 111.02 159.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -52.42 -42.03 63.74 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.627 1.103 . . . . 0.0 112.979 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -52.47 -51.29 60.08 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.211 -0.931 . . . . 0.0 112.045 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.36 -39.1 74.84 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -52.02 -45.56 64.63 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.691 1.596 . . . . 0.0 111.175 170.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -73.3 -5.25 38.33 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.513 -1.367 . . . . 0.0 113.545 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -101.93 -32.99 9.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.749 2.02 . . . . 0.0 112.274 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -38.23 132.63 1.03 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.233 1.413 . . . . 0.0 113.954 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.21 130.37 10.36 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.782 2.033 . . . . 0.0 114.413 173.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -121.8 119.19 30.96 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.126 0.97 . . . . 0.0 108.392 155.737 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -69.94 24.94 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 126.655 1.982 . . . . 0.0 113.209 -172.532 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 CA--C 1.542 0.672 0 CA-C-O 121.716 0.77 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -86.13 168.65 13.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.401 1.48 . . . . 0.0 111.435 171.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.51 -54.88 1.47 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 99.2 m -59.09 -65.85 0.6 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.715 1.206 . . . . 0.0 113.541 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 pm0 -56.88 -36.59 70.28 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.158 -1.588 . . . . 0.0 112.318 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.2 t -61.33 -42.94 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 O-C-N 121.589 -0.694 . . . . 0.0 111.577 171.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.94 -44.8 94.16 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.182 0.993 . . . . 0.0 111.04 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.496 HG12 ' CE2' ' A' ' 79' ' ' TYR . 15.1 t -70.19 -35.38 62.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.58 -1.325 . . . . 0.0 111.312 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 mt -56.45 -36.07 68.6 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 167.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -50.53 68.6 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.578 -0.701 . . . . 0.0 109.609 172.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.2 mt -53.71 -43.37 68.96 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.558 -1.339 . . . . 0.0 111.776 174.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.496 ' CE2' HG12 ' A' ' 75' ' ' VAL . 22.1 m-85 -54.68 -60.96 2.65 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.926 0.89 . . . . 0.0 112.154 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -75.82 -33.88 60.11 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.032 0.833 . . . . 0.0 112.602 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -50.89 -48.56 60.34 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.357 -1.464 . . . . 0.0 110.974 162.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.406 ' HB3' HD13 ' A' ' 84' ' ' ILE . 27.7 m -71.15 -11.35 60.89 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 69.8 42.36 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.311 2.645 . . . . 0.0 111.824 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.406 HD13 ' HB3' ' A' ' 82' ' ' SER . 1.7 mp -111.38 109.27 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 127.059 2.144 . . . . 0.0 107.822 174.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -66.98 155.1 39.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 118.16 -1.416 . . . . 0.0 111.672 162.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.7 mm -110.46 131.88 21.83 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.511 1.524 . . . . 0.0 108.698 167.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.58 133.02 53.91 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 122.728 2.285 . . . . 0.0 111.802 168.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 p -47.74 -43.76 27.39 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.304 1.041 . . . . 0.0 113.366 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -40.03 -61.92 0.8 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.607 1.163 . . . . 0.0 114.124 172.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.256 8.1 pt -67.13 -28.58 43.17 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 120.328 -1.482 . . . . 0.0 113.425 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.66 -47.79 87.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 119.972 1.26 . . . . 0.0 110.012 168.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -58.26 -57.81 11.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.277 0.631 . . . . 0.0 111.176 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -52.35 -53.26 46.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.794 0.838 . . . . 0.0 110.743 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 94' ' ' LEU . 1.3 tm? -51.23 -60.53 3.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.088 0.955 . . . . 0.0 111.474 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 71.1 t -52.85 -39.79 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.179 0.592 . . . . 0.0 111.465 174.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -41.82 97.05 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -63.06 -39.2 94.01 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.296 0.953 . . . . 0.0 110.509 167.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.16 53.73 1.3 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.034 1.334 . . . . 0.0 111.561 173.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.93 167.84 1.47 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.15 0.98 . . . . 0.0 112.79 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -87.2 -55.91 3.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.369 1.068 . . . . 0.0 110.896 -171.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -106.43 146.05 31.0 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -161.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.99 -46.09 2.02 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.695 1.998 . . . . 0.0 111.733 163.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.486 HE22 HD11 ' A' ' 106' ' ' LEU . 22.0 tp60 -64.92 -42.53 94.62 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.809 -1.182 . . . . 0.0 112.877 177.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -65.55 -44.09 87.86 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.126 0.57 . . . . 0.0 111.042 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.455 HG23 HG21 ' A' ' 75' ' ' VAL . 28.6 m -69.63 -39.73 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 O-C-N 121.667 -0.646 . . . . 0.0 110.071 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.579 HD13 ' HD2' ' B' ' 126' ' ' ARG 0.254 1.0 OUTLIER -62.85 -38.18 89.8 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 117.777 -1.569 . . . . 0.0 112.259 171.177 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -57.77 -59.5 5.12 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.767 -1.208 . . . . 0.0 111.515 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -61.07 -52.64 64.08 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.828 0.851 . . . . 0.0 111.713 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.6 mt -52.07 -53.38 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 121.432 -0.792 . . . . 0.0 110.715 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -55.32 -41.12 71.99 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.86 -1.15 . . . . 0.0 112.278 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 43.0 m -58.27 -58.03 10.29 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.671 -0.643 . . . . 0.0 112.036 173.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -64.8 -37.97 89.4 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.917 -1.115 . . . . 0.0 112.228 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -53.76 -28.03 32.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.08 1.752 . . . . 0.0 111.951 166.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.278 90.4 m -80.78 -40.22 25.46 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 118.89 -2.381 . . . . 0.0 114.532 170.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -55.36 9.62 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.593 1.088 . . . . 0.0 111.591 161.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -54.79 -40.94 69.96 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -51.94 -52.54 49.53 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.291 -1.506 . . . . 0.0 112.912 167.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.73 -47.15 74.14 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.204 0.911 . . . . 0.0 112.557 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.466 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 78.3 mm-40 -54.54 -44.77 73.14 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 120.782 -1.199 . . . . 0.0 112.517 172.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.95 -19.19 61.93 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 120.255 -1.528 . . . . 0.0 113.024 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -82.04 -48.04 11.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.284 1.834 . . . . 0.0 113.135 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.466 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 49.1 mtmt -42.77 145.45 0.46 Allowed 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -172.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.79 143.88 57.08 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.409 1.483 . . . . 0.0 114.938 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -130.85 109.28 10.45 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.292 1.437 . . . . 0.0 109.35 172.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -73.06 -7.5 51.55 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -171.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? . . . . . 0 CA--C 1.534 0.345 0 C-N-CA 126.142 1.777 . . . . 0.0 114.656 176.153 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 CA--C 1.544 0.746 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -79.8 -171.39 2.84 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.993 1.317 . . . . 0.0 112.559 160.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.4 -67.39 0.31 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -167.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 30.3 p -59.57 -44.73 93.21 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.463 -0.773 . . . . 0.0 112.422 -174.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -65.52 -41.27 93.3 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.804 -1.185 . . . . 0.0 111.935 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.41 -48.57 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 120.583 -1.323 . . . . 0.0 111.064 174.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.96 -47.65 80.24 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 122.091 0.948 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.08 -38.01 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 O-C-N 121.472 -0.767 . . . . 0.0 111.938 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -42.05 80.2 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.703 1.201 . . . . 0.0 112.862 171.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.17 -39.69 95.39 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.433 -0.792 . . . . 0.0 110.144 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.423 ' HB3' HD11 ' A' ' 124' ' ' LEU . 50.2 mt -53.94 -45.77 71.34 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 120.551 -1.343 . . . . 0.0 110.535 171.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.446 ' HA ' ' CD2' ' A' ' 124' ' ' LEU . 39.4 m-85 -57.96 -54.37 47.71 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.581 -0.699 . . . . 0.0 112.214 174.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -81.53 -35.34 30.44 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -164.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -56.96 -34.07 67.68 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.451 -2.031 . . . . 0.0 111.679 161.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -78.97 -3.47 45.16 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.48 -1.387 . . . . 0.0 113.103 171.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 40.6 74.52 0.1 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.862 2.865 . . . . 0.0 114.728 -160.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.6 mt -122.14 118.37 55.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 126.293 1.837 . . . . 0.0 110.976 164.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -70.18 143.29 52.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 118.684 -1.206 . . . . 0.0 111.06 162.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 25.7 mm -99.95 129.6 28.12 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 125.065 1.346 . . . . 0.0 108.83 164.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.05 119.88 4.34 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.026 2.484 . . . . 0.0 112.419 172.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -28.3 -62.22 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.512 2.325 . . . . 0.0 113.549 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.46 -49.73 5.27 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.543 1.537 . . . . 0.0 114.18 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . 0.634 HG21 ' HB3' ' B' ' 112' ' ' GLN 0.271 14.8 pt -73.73 -28.94 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 O-C-N 120.256 -1.527 . . . . 0.0 112.742 178.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 14.4 mt -59.12 -49.33 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 120.202 1.365 . . . . 0.0 109.868 165.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -51.34 -63.06 1.25 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.604 1.561 . . . . 0.0 110.384 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.53 -43.53 97.05 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 120.962 -1.087 . . . . 0.0 112.001 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -46.37 83.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.103 -0.998 . . . . 0.0 111.97 176.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 25.2 t -58.5 -23.93 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 125.271 1.429 . . . . 0.0 114.297 167.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.09 -55.23 6.35 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 119.932 -1.73 . . . . 0.0 110.689 166.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.15 -59.98 4.55 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -176.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 14.1 mtm105 48.5 74.25 0.18 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.012 1.325 . . . . 0.0 112.563 -167.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.01 148.58 43.51 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.139 168.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . 0.261 5.4 pp0? -72.31 -44.97 61.93 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 120.878 -1.139 . . . . 0.0 113.231 -163.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 27.6 t -95.68 150.09 20.75 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -40.24 -42.96 1.6 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.636 1.975 . . . . 0.0 110.747 160.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -62.53 -41.52 98.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.267 -0.896 . . . . 0.0 112.4 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -71.99 -49.49 36.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.846 -0.534 . . . . 0.0 110.761 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 25.7 m -63.78 -38.16 81.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.288 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.7 pp -65.39 -39.35 92.12 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.213 -1.555 . . . . 0.0 111.564 174.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -55.43 -57.52 11.54 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 120.227 1.376 . . . . 0.0 111.661 172.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -51.52 -60.0 3.63 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.435 0.636 . . . . 0.0 111.493 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.0 mt -57.26 -50.56 76.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 O-C-N 121.286 -0.883 . . . . 0.0 111.378 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.9 -42.64 97.4 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.823 -1.173 . . . . 0.0 112.081 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 64.0 p -61.09 -50.33 73.71 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.368 -0.832 . . . . 0.0 111.775 170.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . 0.634 ' HB3' HG21 ' B' ' 90' ' ' ILE . 14.3 mm100 -64.52 -38.31 90.57 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.069 0.938 . . . . 0.0 112.751 -177.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -56.17 -37.89 70.18 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.909 1.683 . . . . 0.0 111.085 168.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 87.2 m -73.92 -38.14 64.39 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.234 -0.916 . . . . 0.0 113.403 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.05 -61.13 2.33 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.205 0.912 . . . . 0.0 110.405 162.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . 0.629 ' HE1' HG23 ' B' ' 90' ' ' ILE . 42.5 m95 -50.51 -44.69 56.25 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -51.07 -52.27 45.01 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.243 -0.911 . . . . 0.0 112.262 174.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.75 -38.36 83.37 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.47 -42.67 83.02 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 120.339 -1.475 . . . . 0.0 111.96 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -72.11 -4.42 28.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.663 -1.273 . . . . 0.0 113.154 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -108.12 -39.58 5.46 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.401 2.28 . . . . 0.0 112.357 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -47.87 147.18 2.08 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.326 1.85 . . . . 0.0 114.9 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.13 102.72 0.05 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.781 2.032 . . . . 0.0 116.197 -170.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -100.72 109.66 21.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.939 0.791 . . . . 0.0 109.462 162.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -7.83 52.19 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -173.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.579 ' HD2' HD13 ' A' ' 106' ' ' LEU . 26.7 mmt85 . . . . . 0 N--CA 1.472 0.663 0 C-N-CA 126.95 2.1 . . . . 0.0 114.686 176.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.542 0.664 0 CA-C-O 121.503 0.668 . . . . 0.0 110.54 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t -110.39 -178.29 3.46 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.323 2.249 . . . . 0.0 111.783 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -34.17 -68.5 0.11 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.456 1.902 . . . . 0.0 115.108 -169.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.7 p -58.3 -61.99 2.16 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pm0 -58.9 -39.85 82.71 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 120.319 -1.488 . . . . 0.0 112.255 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.9 -42.88 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.569 -0.707 . . . . 0.0 111.526 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.72 -50.49 66.73 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 122.354 1.073 . . . . 0.0 111.278 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.595 HG12 ' CE2' ' A' ' 79' ' ' TYR . 13.6 t -68.55 -27.87 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 120.349 -1.469 . . . . 0.0 111.177 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.17 -31.32 61.28 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 165.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.58 -52.38 26.65 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 170.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.98 -33.88 62.85 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.189 -0.944 . . . . 0.0 112.293 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.691 ' CE1' HD12 ' B' ' 124' ' ' LEU . 29.3 m-85 -61.22 -61.76 2.32 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.323 1.449 . . . . 0.0 112.848 168.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.74 -35.64 67.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.856 1.207 . . . . 0.0 112.675 -172.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -61.08 -20.91 63.14 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.314 -1.491 . . . . 0.0 112.848 163.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.1 -9.28 58.73 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 119.832 -1.792 . . . . 0.0 114.688 165.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 62.68 43.32 7.49 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.344 2.657 . . . . 0.0 112.541 -165.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.2 mt -104.48 95.27 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 124.528 1.131 . . . . 0.0 109.877 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.75 74.31 5.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.958 -177.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.0 mm -42.37 131.15 2.79 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 125.44 1.496 . . . . 0.0 113.508 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.14 146.9 32.69 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.494 2.129 . . . . 0.0 110.636 170.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -45.06 -42.99 9.1 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.64 1.576 . . . . 0.0 111.883 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.19 -4.44 21.62 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.585 1.554 . . . . 0.0 114.397 -174.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.1 mm -79.98 -56.47 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 120.623 -1.298 . . . . 0.0 109.314 156.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.2 mt -57.89 -45.2 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.592 1.157 . . . . 0.0 110.518 -169.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -37.71 -79.01 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.544 2.338 . . . . 0.0 112.887 164.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.29 -36.81 83.25 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.3 1.04 . . . . 0.0 111.499 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -66.26 0.47 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.185 0.594 . . . . 0.0 112.078 172.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.57 -38.16 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 O-C-N 121.553 -0.717 . . . . 0.0 112.759 -175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -45.63 -38.79 7.0 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 171.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -74.77 -20.56 59.75 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.084 -1.01 . . . . 0.0 113.663 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 52.44 56.08 8.2 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.695 1.598 . . . . 0.0 113.976 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.1 mt -64.71 168.08 6.57 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.321 -0.862 . . . . 0.0 112.301 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -110.31 -55.58 2.44 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -166.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.2 p -103.31 164.81 11.41 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 123.562 1.648 . . . . 0.0 115.095 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -57.4 -37.33 72.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.889 1.676 . . . . 0.0 111.656 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -60.42 -46.15 91.04 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.261 -0.9 . . . . 0.0 111.761 173.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.8 -47.27 81.52 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.392 -0.818 . . . . 0.0 111.0 -177.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -65.27 -41.17 90.82 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.29 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 1.2 pp -65.64 -38.54 89.65 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.124 1.329 . . . . 0.0 111.999 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -60.16 -57.37 13.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.679 0.752 . . . . 0.0 110.45 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 112' ' ' GLN . 28.2 t80 -58.68 -52.03 67.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.592 1.157 . . . . 0.0 111.772 -177.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.07 -53.61 32.57 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 O-C-N 121.684 -0.635 . . . . 0.0 111.209 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.6 -40.44 83.24 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.689 -1.257 . . . . 0.0 112.226 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.1 m -57.9 -58.69 7.28 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.43 0.692 . . . . 0.0 112.312 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.411 ' HG3' ' CE1' ' A' ' 108' ' ' TYR . 12.9 mm100 -64.95 -25.25 67.79 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 120.861 -1.149 . . . . 0.0 113.117 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -74.31 -16.5 60.93 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.517 1.927 . . . . 0.0 111.351 169.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.308 87.2 m -86.36 -36.51 19.18 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.04 -1.662 . . . . 0.0 114.081 164.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -61.28 2.39 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.756 1.162 . . . . 0.0 110.85 160.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -53.37 -46.8 69.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -45.38 -50.42 12.31 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.691 -1.256 . . . . 0.0 113.287 167.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.79 -46.4 89.69 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.159 0.891 . . . . 0.0 112.599 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -65.76 -13.41 59.33 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.081 -1.637 . . . . 0.0 113.867 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -88.12 -4.0 58.81 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 119.571 -1.956 . . . . 0.0 113.121 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -120.77 -43.44 2.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.484 1.914 . . . . 0.0 113.224 -169.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -50.18 138.2 16.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.531 1.133 . . . . 0.0 113.286 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.85 126.17 26.52 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.058 1.343 . . . . 0.0 114.082 -173.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.471 HD23 ' CE1' ' B' ' 79' ' ' TYR . 6.4 tp -116.07 121.19 41.46 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 151.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.62 14.73 0.07 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.376 2.271 . . . . 0.0 116.333 -176.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.428 ' HE ' HD13 ' B' ' 106' ' ' LEU . 6.5 mmm180 . . . . . 0 CA--C 1.543 0.683 0 C-N-CA 126.018 1.727 . . . . 0.0 114.085 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 mp . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 123.033 1.397 . . . . 0.0 113.94 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -99.49 -172.82 2.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.176 1.79 . . . . 0.0 112.061 170.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.55 -62.48 1.42 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -164.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 p -58.34 -57.79 11.37 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 pm0 -59.38 -39.81 84.53 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.818 -1.176 . . . . 0.0 112.575 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.61 -46.9 95.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.289 -0.882 . . . . 0.0 111.482 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.07 91.06 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.956 0.884 . . . . 0.0 111.061 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.518 HG12 ' CE2' ' B' ' 79' ' ' TYR . 20.8 t -73.03 -32.34 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.083 -1.011 . . . . 0.0 111.832 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.89 -29.1 54.99 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.48 -1.388 . . . . 0.0 114.35 166.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.78 -51.62 13.63 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 173.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 68.6 mt -47.78 -44.75 28.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.599 -1.313 . . . . 0.0 112.19 171.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.518 ' CE2' HG12 ' B' ' 75' ' ' VAL . 20.0 m-85 -51.5 -57.11 9.94 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.122 -0.986 . . . . 0.0 112.46 172.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.253 9.2 mm-40 -81.33 -26.68 35.4 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -46.72 -46.34 20.18 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.115 -1.616 . . . . 0.0 109.875 155.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -78.28 -7.34 57.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.279 9.8 t-20 51.05 80.63 0.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 130.356 3.462 . . . . 0.0 116.342 -163.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.0 mp -136.43 110.37 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.088 1.755 . . . . 0.0 110.001 170.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -64.87 134.22 53.56 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 118.691 -1.204 . . . . 0.0 108.664 159.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 30.3 mm -96.56 132.32 26.57 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.944 1.298 . . . . 0.0 109.306 171.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.12 141.4 87.45 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.168 1.912 . . . . 0.0 112.617 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 27.1 m -43.95 -49.48 8.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.784 1.234 . . . . 0.0 111.195 166.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.17 -47.07 46.1 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 17.7 mm -55.28 -54.08 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.692 -1.255 . . . . 0.0 109.824 172.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.7 mt -57.62 -44.73 85.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.989 -0.445 . . . . 0.0 110.743 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.15 -70.88 0.08 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.273 1.029 . . . . 0.0 111.693 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -52.95 -51.88 59.94 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.638 1.175 . . . . 0.0 111.331 -174.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -55.26 22.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.986 1.314 . . . . 0.0 111.946 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.75 -41.29 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 O-C-N 121.12 -0.987 . . . . 0.0 112.155 174.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.28 -49.44 77.6 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.823 0.849 . . . . 0.0 112.592 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -63.46 -28.05 69.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.371 -0.831 . . . . 0.0 112.304 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? 66.56 44.38 2.3 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.345 1.058 . . . . 0.0 113.555 164.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.01 155.58 19.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.574 0.75 . . . . 0.0 111.231 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -131.87 34.96 3.8 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.275 -0.89 . . . . 0.0 112.12 -168.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 30.0 t -160.82 135.14 7.2 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.527 -0.733 . . . . 0.0 111.483 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -52.38 -47.42 66.19 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.222 1.809 . . . . 0.0 111.823 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.5 -42.26 98.51 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.887 -1.133 . . . . 0.0 111.861 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -69.66 -34.13 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 120.61 -1.306 . . . . 0.0 111.254 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.31 -47.32 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.823 168.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.46 ' HB3' HG11 ' B' ' 75' ' ' VAL . 1.6 pp -63.2 -29.88 71.14 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.111 -1.618 . . . . 0.0 113.061 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -64.28 -62.3 1.7 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.116 0.966 . . . . 0.0 110.922 169.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -57.49 -50.4 73.18 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.515 0.726 . . . . 0.0 111.44 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -51.69 -54.58 12.12 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 C-N-CA 123.03 0.532 . . . . 0.0 110.852 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.35 -37.28 80.19 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.903 -1.123 . . . . 0.0 112.471 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 28.2 m -58.41 -59.36 5.47 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.778 0.831 . . . . 0.0 111.838 172.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -65.76 -32.15 73.54 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.893 -1.129 . . . . 0.0 112.08 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -61.19 -29.5 69.84 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.313 -1.492 . . . . 0.0 111.246 168.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.271 87.8 m -80.47 -37.52 31.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.272 -1.518 . . . . 0.0 114.049 173.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -48.77 -60.33 2.82 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.026 0.83 . . . . 0.0 110.749 157.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -50.04 -46.31 52.95 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.54 -47.23 57.69 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.662 -0.649 . . . . 0.0 112.608 173.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.56 -40.32 66.76 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.756 0.707 . . . . 0.0 112.873 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -56.75 -33.17 66.3 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.025 -1.672 . . . . 0.0 112.087 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -78.02 -7.95 57.54 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.277 -1.514 . . . . 0.0 114.279 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -92.62 -48.61 6.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.125 1.77 . . . . 0.0 112.481 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -41.95 143.96 0.49 Allowed 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 135.18 57.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.289 1.435 . . . . 0.0 114.77 178.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.691 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -110.13 123.51 49.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.748 0.819 . . . . 0.0 109.41 155.675 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.1 29.26 0.05 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? . . . . . 0 CA--C 1.545 0.751 0 C-N-CA 128.179 2.592 . . . . 0.0 116.174 -178.741 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 122.306 1.05 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.7 t -86.24 -175.14 5.39 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.057 1.343 . . . . 0.0 113.357 171.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.74 -50.36 66.14 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -167.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.1 p -69.94 -48.65 57.59 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.315 -0.866 . . . . 0.0 113.331 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -69.19 -35.08 75.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.373 1.069 . . . . 0.0 110.602 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.36 -47.01 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 O-C-N 120.991 -1.068 . . . . 0.0 111.418 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.54 65.43 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 123.219 1.485 . . . . 0.0 111.985 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.402 HG12 ' CE2' ' A' ' 79' ' ' TYR . 3.6 t -74.95 -36.81 39.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.567 -1.333 . . . . 0.0 113.001 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.87 -32.81 72.23 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.272 1.429 . . . . 0.0 114.22 171.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -67.52 -55.57 12.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.769 -1.196 . . . . 0.0 107.769 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.22 -37.42 82.97 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.621 -1.299 . . . . 0.0 113.037 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.502 ' CD1' HD22 ' B' ' 124' ' ' LEU . 3.9 m-85 -47.77 -50.07 26.71 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.952 -1.092 . . . . 0.0 112.221 165.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.6 -31.67 47.23 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -56.08 -29.43 60.56 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 119.282 -2.136 . . . . 0.0 111.818 158.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.1 m -85.99 -4.63 59.21 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.284 -1.51 . . . . 0.0 115.073 168.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 46.5 62.05 2.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.759 2.824 . . . . 0.0 114.148 -163.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.4 mt -118.48 97.74 5.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 125.91 1.684 . . . . 0.0 111.116 173.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 -71.26 108.19 4.62 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.081 -1.012 . . . . 0.0 110.329 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.8 mm -71.77 124.61 91.16 Favored Pre-proline 0 CA--C 1.545 0.777 0 O-C-N 119.297 -2.127 . . . . 0.0 111.007 175.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.445 ' CD ' HH12 ' A' ' 113' ' ' ARG . 14.4 Cg_endo -71.74 148.57 52.89 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.102 1.868 . . . . 0.0 109.782 172.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -30.95 -43.06 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 127.092 2.157 . . . . 0.0 113.056 163.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.89 -5.58 55.82 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 127.0 2.12 . . . . 0.0 112.886 -166.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.7 mm -81.2 -45.43 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 119.786 -1.821 . . . . 0.0 109.958 155.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.1 mt -71.92 -35.67 55.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.878 0.871 . . . . 0.0 111.077 -167.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -31.41 -55.78 0.25 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.661 2.784 . . . . 0.0 112.024 165.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.12 -68.0 0.63 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.928 2.491 . . . . 0.0 110.537 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 108' ' ' TYR . 1.2 tm? -60.17 -47.24 86.76 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -158.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -54.25 -26.98 16.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -174.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -73.22 -60.48 2.22 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.362 0.601 . . . . 0.0 110.798 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -94.42 53.83 1.74 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.968 0.907 . . . . 0.0 112.209 -176.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 34.0 0.17 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -169.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.1 mt 51.94 -154.02 0.19 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.642 0.777 . . . . 0.0 113.063 167.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -111.3 -52.56 2.78 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.048 1.339 . . . . 0.0 111.509 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.2 m -113.7 152.38 30.56 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -168.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -39.24 -54.39 1.81 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.273 1.029 . . . . 0.0 112.665 165.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -55.87 -39.97 72.28 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.606 -0.684 . . . . 0.0 111.825 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.23 -49.99 51.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.871 -0.518 . . . . 0.0 110.704 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.5 -36.05 76.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.831 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' B' ' 126' ' ' ARG 0.28 2.3 pp -70.59 -39.04 74.06 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 120.078 1.308 . . . . 0.0 113.196 174.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -53.97 -56.35 18.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.468 1.031 . . . . 0.0 110.923 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.453 ' CD1' HD23 ' A' ' 94' ' ' LEU . 50.2 t80 -55.73 -57.48 11.84 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.929 1.292 . . . . 0.0 112.088 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.32 -47.38 77.98 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 123.889 0.876 . . . . 0.0 111.632 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.65 -37.99 83.33 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 120.659 1.572 . . . . 0.0 112.358 176.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.4 m -61.06 -60.42 3.8 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.617 -0.677 . . . . 0.0 112.049 171.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -56.62 -34.64 67.44 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.197 0.999 . . . . 0.0 112.243 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -64.2 -30.49 71.55 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.471 -1.393 . . . . 0.0 111.525 172.765 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.252 54.9 m -77.98 -35.67 49.83 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.537 -1.352 . . . . 0.0 113.765 169.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -50.66 -57.72 7.57 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.722 1.146 . . . . 0.0 111.199 161.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -54.85 -44.11 73.69 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.733 -1.229 . . . . 0.0 113.413 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -47.65 -49.85 26.27 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.576 -1.328 . . . . 0.0 111.192 168.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.92 -42.48 94.67 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -54.16 -29.85 47.05 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 119.784 -1.822 . . . . 0.0 112.153 168.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.7 6.04 33.17 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.377 -1.452 . . . . 0.0 113.714 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -122.74 -32.13 3.6 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.635 2.374 . . . . 0.0 112.713 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -46.97 145.25 2.13 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.169 1.388 . . . . 0.0 114.174 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 132.45 47.39 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.513 1.525 . . . . 0.0 114.964 175.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.694 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -110.22 123.08 49.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.929 0.892 . . . . 0.0 109.109 152.121 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -74.9 30.58 0.09 Allowed 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.323 -1.486 . . . . 0.0 114.32 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? . . . . . 0 CA--C 1.541 0.599 0 C-N-CA 126.164 1.786 . . . . 0.0 113.724 -176.243 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 CA--C 1.543 0.696 0 CA-C-O 121.222 0.534 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -97.02 176.92 5.78 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.867 1.267 . . . . 0.0 112.542 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.23 -61.64 0.86 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.696 1.598 . . . . 0.0 115.039 -168.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 p -61.93 -55.84 25.34 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -62.14 -35.2 78.03 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.876 -1.14 . . . . 0.0 112.192 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.58 -51.04 75.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 O-C-N 121.27 -0.894 . . . . 0.0 111.185 173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.84 -38.03 69.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.326 1.06 . . . . 0.0 111.496 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 t -72.0 -36.97 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 O-C-N 121.537 -0.727 . . . . 0.0 112.482 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.37 -27.82 69.34 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.932 -1.105 . . . . 0.0 113.96 168.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.67 -51.75 13.52 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.781 -0.574 . . . . 0.0 109.742 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 42.5 mt -46.51 -41.41 14.12 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.646 -1.284 . . . . 0.0 111.684 168.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.694 ' CE1' HD12 ' A' ' 124' ' ' LEU . 19.9 m-85 -56.79 -56.23 24.21 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 169.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.11 -28.86 60.41 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 121.671 2.032 . . . . 0.0 114.14 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -49.78 -45.91 50.25 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.169 -1.582 . . . . 0.0 110.606 159.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.3 p -77.3 -6.18 52.23 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.013 -1.054 . . . . 0.0 113.658 175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 42.52 69.82 0.34 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.608 2.763 . . . . 0.0 115.045 -159.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 62.7 mt -117.37 109.53 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.331 1.452 . . . . 0.0 112.667 167.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -69.78 121.5 17.35 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.745 -1.222 . . . . 0.0 110.459 167.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 48.7 mm -90.34 121.49 68.46 Favored Pre-proline 0 CA--C 1.543 0.696 0 O-C-N 119.987 -1.695 . . . . 0.0 110.207 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.53 126.16 21.05 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 121.636 1.557 . . . . 0.0 111.502 170.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -41.32 -41.34 1.91 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.998 2.119 . . . . 0.0 113.885 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -49.57 -45.25 47.51 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.233 1.013 . . . . 0.0 113.441 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 13.4 mm -50.06 -53.97 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 122.215 1.007 . . . . 0.0 110.522 169.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 41.0 mt -64.87 -46.84 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.209 -170.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -48.9 -63.7 1.02 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.206 1.002 . . . . 0.0 111.499 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.65 -55.48 29.2 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.719 -0.613 . . . . 0.0 109.886 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.459 HD23 ' CD2' ' B' ' 108' ' ' TYR . 0.9 OUTLIER -53.01 -49.07 66.98 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -175.512 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 t -49.36 -38.19 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.733 1.213 . . . . 0.0 113.754 172.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -72.8 -58.35 3.4 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.647 0.779 . . . . 0.0 111.897 171.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -52.73 -48.64 66.54 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.106 1.362 . . . . 0.0 112.802 -174.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 61.27 75.63 0.4 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 164.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.83 173.32 5.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.646 0.779 . . . . 0.0 112.255 172.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -75.14 -35.96 61.62 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.081 -1.012 . . . . 0.0 112.994 -170.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 26.2 p -145.86 164.33 32.29 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -172.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -36.95 -54.03 0.95 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.522 2.729 . . . . 0.0 112.602 170.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -56.57 -47.18 80.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.141 0.972 . . . . 0.0 111.86 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.77 -44.37 73.8 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.794 -0.566 . . . . 0.0 110.781 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.11 -39.02 83.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.637 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.301 3.7 pp -63.97 -39.6 94.51 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.794 1.634 . . . . 0.0 112.204 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -60.38 -53.37 58.39 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.286 -0.884 . . . . 0.0 111.643 175.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . 0.459 ' CD2' HD23 ' B' ' 94' ' ' LEU . 72.0 t80 -57.05 -55.56 33.1 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.997 1.319 . . . . 0.0 112.239 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 60.4 mt -49.09 -53.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 124.204 1.002 . . . . 0.0 111.224 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -62.64 -40.4 96.88 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.182 -0.949 . . . . 0.0 112.867 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 52.3 m -54.26 -53.62 51.24 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.18 -0.95 . . . . 0.0 111.709 170.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.26 -28.27 69.05 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.009 -1.057 . . . . 0.0 112.295 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -79.51 -4.43 51.31 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.251 -1.53 . . . . 0.0 113.545 171.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.317 12.4 m -83.09 -36.95 24.45 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 119.634 -1.916 . . . . 0.0 112.951 156.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.39 -64.42 0.83 Allowed 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.469 1.032 . . . . 0.0 111.846 160.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -55.43 -38.52 69.09 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.004 -1.06 . . . . 0.0 113.622 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.26 -57.13 6.39 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.616 -1.303 . . . . 0.0 112.653 164.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.96 -39.72 90.62 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.034 0.834 . . . . 0.0 112.217 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.5 -27.96 63.02 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.528 -1.358 . . . . 0.0 112.63 170.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -91.56 25.9 2.5 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.997 1.719 . . . . 0.0 112.627 170.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -146.35 -18.98 0.43 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -68.45 50.26 0.07 Allowed 'General case' 0 CA--C 1.563 1.466 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -173.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.18 91.97 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 118.768 2.877 . . . . 0.0 118.768 164.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 79' ' ' TYR . 17.5 tp -81.96 93.05 6.86 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.245 -1.535 . . . . 0.0 112.058 167.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -63.28 -43.84 96.78 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.822 0.849 . . . . 0.0 112.116 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.492 ' HG3' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.468 0.446 0 C-N-CA 126.28 1.832 . . . . 0.0 114.794 170.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.273 5.0 tp . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 122.64 1.209 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.6 t -118.2 -167.35 1.34 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 128.196 2.598 . . . . 0.0 110.725 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -28.26 -69.76 0.05 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.355 2.262 . . . . 0.0 116.256 -164.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.08 -57.85 9.25 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -175.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pm0 -63.13 -29.78 71.07 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.517 -1.365 . . . . 0.0 112.864 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.55 -42.42 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 120.611 -1.306 . . . . 0.0 111.712 170.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.29 79.75 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.791 1.282 . . . . 0.0 111.43 172.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.734 HG21 HG23 ' A' ' 105' ' ' VAL . 12.7 t -62.47 -36.58 75.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 119.296 -2.128 . . . . 0.0 111.628 169.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -34.63 58.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 166.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -45.06 78.39 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.505 -0.747 . . . . 0.0 110.528 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' B' ' 124' ' ' LEU . 6.3 mt -63.25 -36.55 84.04 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.108 -0.995 . . . . 0.0 111.33 174.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.739 ' CE1' HD12 ' B' ' 124' ' ' LEU . 18.2 m-85 -59.79 -45.33 92.65 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.777 -1.202 . . . . 0.0 113.316 167.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.76 -50.86 72.35 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.891 0.769 . . . . 0.0 110.382 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -53.26 -40.22 64.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.082 1.353 . . . . 0.0 112.481 170.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 m -80.3 1.27 29.34 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 52.43 58.04 5.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.301 1.44 . . . . 0.0 111.735 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.552 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 25.4 mt -121.23 113.3 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 O-C-N 120.871 -1.143 . . . . 0.0 112.651 -174.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -78.94 128.91 33.9 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.988 -1.07 . . . . 0.0 110.323 168.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.2 mm -93.01 122.91 62.61 Favored Pre-proline 0 CA--C 1.542 0.663 0 O-C-N 120.898 -1.127 . . . . 0.0 111.276 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.6 141.71 73.78 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.376 2.05 . . . . 0.0 112.521 168.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -36.63 -51.37 0.85 Allowed 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.481 1.112 . . . . 0.0 110.906 156.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.5 3.05 4.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -175.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.1 mm -84.54 -50.43 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 120.597 -1.315 . . . . 0.0 108.979 155.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.76 -46.61 91.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 125.048 1.339 . . . . 0.0 110.074 -170.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -37.27 -37.58 0.18 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 129.173 2.989 . . . . 0.0 113.37 167.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.28 -62.96 1.33 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.697 1.599 . . . . 0.0 113.169 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -54.07 -45.87 71.83 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.468 1.107 . . . . 0.0 113.594 -171.214 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.4 t -54.11 -21.99 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 124.624 1.17 . . . . 0.0 112.905 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -74.52 -44.42 51.32 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.137 -0.977 . . . . 0.0 112.098 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -65.98 -59.05 4.21 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -168.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? 62.24 81.0 0.21 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.977 1.311 . . . . 0.0 112.034 -169.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.3 mt -74.21 175.57 7.44 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 122.955 0.502 . . . . 0.0 111.069 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -77.54 -47.02 20.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.479 -0.763 . . . . 0.0 111.405 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.0 t -116.89 148.36 41.38 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -166.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -42.68 -48.01 5.44 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.658 1.583 . . . . 0.0 110.807 161.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -60.68 -40.89 93.82 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.742 -1.224 . . . . 0.0 112.684 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -67.89 -45.94 73.03 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.808 -0.557 . . . . 0.0 111.475 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.734 HG23 HG21 ' A' ' 75' ' ' VAL 0.272 33.4 m -64.67 -37.74 80.88 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.402 177.117 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.409 ' HB3' HG13 ' A' ' 75' ' ' VAL 0.318 4.5 pp -66.13 -36.41 83.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 118.028 -1.469 . . . . 0.0 113.408 173.164 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -58.75 -57.45 12.96 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 120.775 -1.203 . . . . 0.0 111.596 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.422 ' CD1' HD23 ' A' ' 94' ' ' LEU . 40.5 t80 -53.19 -54.18 39.67 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.855 1.262 . . . . 0.0 111.481 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.81 -47.59 88.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 121.406 -0.808 . . . . 0.0 111.809 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.99 -41.48 64.65 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.103 -1.623 . . . . 0.0 112.097 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.1 m -61.89 -57.27 12.43 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.503 0.721 . . . . 0.0 112.241 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -60.95 -23.75 65.54 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.62 -1.3 . . . . 0.0 112.814 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.552 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 14.9 ttt-85 -76.84 -21.35 55.17 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 119.817 -1.802 . . . . 0.0 112.557 170.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.5 m -72.05 -47.02 54.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 120.423 -1.423 . . . . 0.0 112.768 163.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -47.73 -61.2 2.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.252 0.933 . . . . 0.0 110.718 162.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -53.66 -46.17 70.5 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -39.65 79.6 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.616 -1.302 . . . . 0.0 112.519 173.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.25 -47.22 85.32 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.319 -0.863 . . . . 0.0 112.857 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -58.36 -33.61 69.76 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 119.885 -1.759 . . . . 0.0 112.382 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -73.07 -9.09 58.36 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.007 -1.683 . . . . 0.0 114.004 172.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -112.4 -40.76 4.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.717 2.007 . . . . 0.0 113.614 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -42.96 143.03 0.8 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.317 1.847 . . . . 0.0 114.87 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 138.4 56.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.351 1.46 . . . . 0.0 114.094 173.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' B' ' 78' ' ' LEU . 4.4 tt -139.17 115.91 10.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.986 1.715 . . . . 0.0 108.122 166.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -74.32 27.19 0.08 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 -166.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 126.586 1.954 . . . . 0.0 114.899 176.373 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.271 6.6 mp . . . . . 0 CA--C 1.542 0.67 0 CA-C-O 122.952 1.358 . . . . 0.0 112.034 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.6 t -74.56 174.59 8.8 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.453 1.101 . . . . 0.0 111.808 165.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.83 -55.72 6.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.063 1.345 . . . . 0.0 113.53 -175.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 26.1 p -59.68 -59.61 5.16 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pm0 -65.13 -32.89 74.81 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 121.231 1.832 . . . . 0.0 112.96 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.11 -47.67 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 119.003 0.819 . . . . 0.0 110.959 170.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.91 87.99 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.257 0.551 . . . . 0.0 110.57 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.487 HG12 ' CE2' ' B' ' 79' ' ' TYR . 6.2 t -67.74 -39.2 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 O-C-N 121.152 -0.968 . . . . 0.0 111.266 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 23.8 mt -53.38 -30.14 38.26 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.918 1.287 . . . . 0.0 114.46 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -78.62 -48.15 15.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.461 ' HB3' HD21 ' A' ' 124' ' ' LEU . 29.6 mt -51.72 -40.13 59.63 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 119.838 -1.789 . . . . 0.0 112.599 169.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.487 ' CE2' HG12 ' B' ' 75' ' ' VAL . 25.7 m-85 -49.12 -60.69 2.58 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.22 170.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -80.68 -27.75 36.98 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -48.23 -45.9 34.69 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 120.033 -1.667 . . . . 0.0 110.358 160.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.6 p -80.25 -1.15 39.45 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.285 -0.884 . . . . 0.0 113.23 177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 54.3 58.25 5.13 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.161 2.584 . . . . 0.0 113.355 -170.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 60.4 mt -116.71 117.84 56.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 125.06 1.344 . . . . 0.0 111.267 162.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -70.99 131.54 43.83 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 160.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 6.2 mm -88.16 134.33 35.11 Favored Pre-proline 0 CA--C 1.541 0.634 0 O-C-N 120.866 -1.146 . . . . 0.0 109.016 167.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.02 137.66 19.77 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 121.077 1.185 . . . . 0.0 110.222 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 4.8 m -46.36 -42.78 15.42 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.437 1.895 . . . . 0.0 112.764 -173.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -44.59 -58.84 2.77 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.975 1.31 . . . . 0.0 113.577 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.0 pt -70.05 -22.7 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 O-C-N 120.139 -1.601 . . . . 0.0 112.612 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 16.4 mt -62.43 -49.93 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 120.774 -1.204 . . . . 0.0 110.007 166.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -54.25 -42.05 69.46 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.574 1.15 . . . . 0.0 112.362 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -67.21 -64.76 0.79 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.434 0.694 . . . . 0.0 110.714 173.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.58 -49.49 36.47 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.8 1.24 . . . . 0.0 111.8 -174.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 56.0 t -53.84 -38.91 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 O-C-N 121.153 -0.967 . . . . 0.0 113.171 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -47.6 64.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.763 0.825 . . . . 0.0 112.317 173.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -55.02 -32.61 61.97 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.496 0.665 . . . . 0.0 111.729 173.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? 58.45 41.46 22.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.16 1.384 . . . . 0.0 112.197 169.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.0 157.39 5.83 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -76.77 -44.6 32.29 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -161.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.1 p -154.08 175.45 13.42 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.827 0.822 . . . . 0.0 112.65 -172.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.4 mp0 -54.23 -43.91 71.27 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 125.932 1.693 . . . . 0.0 113.457 -167.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -65.78 -34.02 77.21 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.122 0.963 . . . . 0.0 112.39 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 -69.61 -41.52 75.61 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 121.189 -0.944 . . . . 0.0 111.697 173.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.47 -56.7 14.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.278 2.1 pp -58.76 -47.41 84.76 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.469 -0.769 . . . . 0.0 112.465 -174.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . 0.253 2.7 p30 -65.34 -45.7 83.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.902 1.683 . . . . 0.0 112.789 -177.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -65.88 -55.45 16.92 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.458 -0.776 . . . . 0.0 112.085 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -44.57 50.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 O-C-N 121.206 -0.934 . . . . 0.0 110.744 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.29 -34.57 78.65 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.801 -1.187 . . . . 0.0 111.176 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 87.7 m -61.84 -58.24 8.74 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.209 0.604 . . . . 0.0 111.855 170.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -60.91 -41.89 96.98 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.595 1.188 . . . . 0.0 112.224 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -54.86 -32.13 60.37 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.234 -1.541 . . . . 0.0 111.921 167.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 54.4 m -78.07 -36.52 48.19 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 119.879 -1.763 . . . . 0.0 113.916 172.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.96 -57.94 5.68 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.516 1.053 . . . . 0.0 110.638 160.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -55.09 -40.47 70.45 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -55.57 -55.13 35.53 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.839 -1.163 . . . . 0.0 112.354 172.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.26 -38.03 87.73 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.622 0.725 . . . . 0.0 112.172 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -63.31 -53.17 56.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.712 1.205 . . . . 0.0 111.341 173.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 113' ' ' ARG . 87.3 m-20 -68.46 -11.76 60.23 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.156 1.782 . . . . 0.0 114.413 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -39.41 94.46 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.015 0.926 . . . . 0.0 111.193 164.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.06 139.4 58.09 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -118.65 139.01 52.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.264 2.226 . . . . 0.0 111.072 -165.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.739 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -84.76 100.74 11.72 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.084 -1.01 . . . . 0.0 110.087 176.431 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -76.94 6.79 5.66 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.357 -1.465 . . . . 0.0 113.762 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 . . . . . 0 N--CA 1.471 0.582 0 C-N-CA 126.165 1.786 . . . . 0.0 113.736 172.108 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 CA--C 1.533 0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 t -76.03 178.52 6.25 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.801 0.81 . . . . 0.0 111.324 168.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.63 64.54 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -160.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.1 p -61.29 -51.22 69.81 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 120.842 -1.161 . . . . 0.0 113.508 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -66.46 -36.7 83.4 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.908 -1.12 . . . . 0.0 112.118 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.37 -46.48 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 120.855 -1.153 . . . . 0.0 111.671 172.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.13 69.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 122.791 1.281 . . . . 0.0 112.225 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.9 t -76.16 -32.58 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 119.977 -1.702 . . . . 0.0 112.18 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.88 -33.24 55.84 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.805 -1.184 . . . . 0.0 113.153 161.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . 0.257 0.0 OUTLIER -66.56 -45.11 80.43 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.728 -0.608 . . . . 0.0 109.869 174.714 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.576 ' HB3' HD11 ' B' ' 124' ' ' LEU . 17.1 mt -59.36 -39.33 82.89 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.619 -1.301 . . . . 0.0 111.914 171.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.732 ' CE1' HD12 ' B' ' 124' ' ' LEU . 24.3 m-85 -55.95 -47.0 78.4 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 117.558 -1.211 . . . . 0.0 113.068 170.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.261 67.0 mm-40 -80.45 -29.12 37.52 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -50.63 -28.7 9.33 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.293 -1.504 . . . . 0.0 110.779 155.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.76 -1.1 41.31 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 35.39 85.74 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 128.464 2.706 . . . . 0.0 115.58 -158.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -137.47 113.51 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 127.007 2.123 . . . . 0.0 111.232 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -66.69 134.69 52.75 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.543 -1.348 . . . . 0.0 109.358 160.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.0 mm -95.11 129.43 35.51 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 124.636 1.174 . . . . 0.0 109.791 171.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.48 122.51 11.89 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 121.882 1.721 . . . . 0.0 111.395 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.7 m -37.67 -41.15 0.46 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.173 2.189 . . . . 0.0 114.084 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -51.96 -41.83 62.41 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.5 mm -51.77 -59.39 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.811 0.815 . . . . 0.0 110.179 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.84 -45.46 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.004 0.922 . . . . 0.0 110.857 -172.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -50.75 -45.46 58.83 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.817 1.647 . . . . 0.0 112.317 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.1 -60.89 2.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.583 0.753 . . . . 0.0 111.538 172.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -46.81 38.29 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.16 0.984 . . . . 0.0 112.944 -169.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.07 -36.07 30.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 O-C-N 121.648 -0.658 . . . . 0.0 112.321 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -72.77 -50.13 26.37 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.248 1.419 . . . . 0.0 111.328 173.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -73.31 70.26 1.17 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.275 1.43 . . . . 0.0 110.958 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -63.35 77.34 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.556 1.542 . . . . 0.0 114.721 -172.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.93 166.44 13.52 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.679 0.792 . . . . 0.0 110.585 163.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -86.18 -62.78 1.44 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.219 -0.926 . . . . 0.0 111.385 -169.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.3 p -102.33 167.39 10.0 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -173.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -42.81 -53.53 4.56 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.841 0.829 . . . . 0.0 112.358 163.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -53.71 -43.6 69.12 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.352 1.072 . . . . 0.0 111.027 -171.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.35 -49.1 70.64 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 123.848 0.859 . . . . 0.0 111.06 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . 0.266 9.5 m -66.26 -40.62 87.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.181 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 4.6 pp -62.82 -30.6 71.61 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.242 -1.537 . . . . 0.0 112.444 173.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -68.0 -57.14 6.64 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.311 -1.493 . . . . 0.0 111.749 172.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -57.0 -53.44 58.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.264 0.625 . . . . 0.0 111.489 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -51.99 -51.25 30.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 123.27 0.628 . . . . 0.0 111.822 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -57.59 -40.44 79.04 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 120.979 1.718 . . . . 0.0 112.518 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.0 m -58.12 -57.77 11.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.691 0.796 . . . . 0.0 111.436 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.97 -33.05 66.67 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.548 1.939 . . . . 0.0 113.206 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -79.87 -16.12 56.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.901 2.48 . . . . 0.0 111.565 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.287 97.8 m -86.05 -37.22 19.13 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 119.899 -1.751 . . . . 0.0 112.595 166.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -48.87 -63.82 0.98 Allowed 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.638 -0.664 . . . . 0.0 111.604 156.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -55.27 -39.84 70.29 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.025 -1.047 . . . . 0.0 113.806 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -52.86 -52.66 56.5 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.827 -1.171 . . . . 0.0 112.54 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.25 -43.93 83.41 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.09 0.859 . . . . 0.0 112.588 175.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -59.21 -33.66 71.24 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.876 -1.14 . . . . 0.0 113.024 170.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -78.26 -10.86 59.84 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 119.617 -1.927 . . . . 0.0 114.229 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -96.31 -50.36 4.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.241 1.816 . . . . 0.0 112.896 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -46.39 147.23 1.2 Allowed 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -168.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.76 108.33 0.17 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 129.838 3.255 . . . . 0.0 117.082 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' B' ' 79' ' ' TYR . 0.3 OUTLIER -107.76 101.15 10.47 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.641 1.176 . . . . 0.0 111.546 168.053 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -12.1 60.36 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -169.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 CA--C 1.538 0.512 0 C-N-CA 125.96 1.704 . . . . 0.0 112.362 -168.686 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 122.974 1.369 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.3 m -74.55 160.45 30.87 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.055 0.942 . . . . 0.0 111.66 164.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.46 -52.1 0.84 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -177.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.4 p -59.32 -60.57 3.64 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -61.47 -33.11 73.2 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.277 -1.514 . . . . 0.0 112.501 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -45.17 95.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 O-C-N 121.511 -0.743 . . . . 0.0 111.646 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.9 86.03 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 122.759 1.266 . . . . 0.0 110.843 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' B' ' 79' ' ' TYR . 16.1 t -70.26 -36.33 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 O-C-N 120.848 -1.158 . . . . 0.0 111.87 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.37 -25.56 59.68 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 170.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -75.37 -46.21 34.45 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 171.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.3 mt -52.83 -44.75 66.95 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.631 -1.293 . . . . 0.0 109.816 170.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.564 ' CE2' HG12 ' B' ' 75' ' ' VAL . 36.7 m-85 -53.93 -61.23 2.44 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.696 0.68 . . . . 0.0 111.913 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -75.46 -44.03 46.28 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -166.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -53.31 -40.19 64.6 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 119.949 -1.719 . . . . 0.0 112.389 169.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.0 t -74.9 -4.44 38.02 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.806 -1.184 . . . . 0.0 113.489 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 66.56 48.47 1.48 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 129.548 3.139 . . . . 0.0 112.937 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 mp -114.88 109.11 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 125.555 1.542 . . . . 0.0 109.159 167.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -72.39 142.93 48.72 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.312 166.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 29.4 mm -105.06 129.47 24.76 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 124.795 1.238 . . . . 0.0 110.169 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -78.71 150.94 24.63 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.031 1.82 . . . . 0.0 111.446 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 7.0 m -36.73 -46.0 0.57 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 126.621 1.968 . . . . 0.0 112.157 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.64 -1.06 12.33 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.643 1.577 . . . . 0.0 115.084 -173.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.22 -44.56 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 120.855 -1.153 . . . . 0.0 109.46 158.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 81.6 mt -72.03 -43.13 67.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 124.976 1.31 . . . . 0.0 110.755 -168.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -28.98 -63.99 0.1 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 128.255 2.622 . . . . 0.0 112.362 164.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -65.07 -70.23 0.24 Allowed 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.218 1.807 . . . . 0.0 109.108 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.542 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.0 OUTLIER -53.27 -47.38 69.17 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -163.416 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 49.2 t -48.18 -46.97 13.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 O-C-N 121.227 -0.92 . . . . 0.0 113.339 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -84.21 -40.8 17.66 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.301 1.041 . . . . 0.0 112.138 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -50.37 -45.27 55.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.234 1.414 . . . . 0.0 112.017 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 63.85 61.8 0.94 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 160.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.88 165.4 17.7 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.585 -0.697 . . . . 0.0 111.327 167.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -107.67 5.69 27.05 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.733 1.382 . . . . 0.0 114.733 -160.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 19.8 p -153.88 165.0 37.46 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 120.262 -1.524 . . . . 0.0 114.615 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -46.16 -47.0 17.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.802 2.041 . . . . 0.0 111.236 167.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.49 -45.14 95.49 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 122.029 0.919 . . . . 0.0 111.11 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -67.71 -45.31 75.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.281 -0.887 . . . . 0.0 111.005 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.408 HG23 HG21 ' B' ' 75' ' ' VAL . 19.7 m -70.2 -34.0 57.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.342 0 O-C-N 121.567 -0.708 . . . . 0.0 111.233 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 pp -67.39 -36.99 82.44 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.899 1.681 . . . . 0.0 112.352 172.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.12 -57.22 13.42 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 122.365 1.079 . . . . 0.0 110.337 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . 0.542 ' CD2' HD23 ' B' ' 94' ' ' LEU . 55.7 t80 -60.16 -55.01 39.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.646 1.178 . . . . 0.0 112.598 -176.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.438 HG21 ' CE2' ' B' ' 79' ' ' TYR . 86.8 mt -50.88 -46.91 30.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 O-C-N 121.343 -0.848 . . . . 0.0 111.186 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -61.33 -39.58 91.07 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.667 1.121 . . . . 0.0 112.518 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 25.6 m -59.04 -58.4 8.8 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.823 0.849 . . . . 0.0 112.3 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -61.34 -31.47 71.34 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.796 -1.19 . . . . 0.0 112.418 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -71.17 -20.6 62.27 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.151 1.38 . . . . 0.0 111.981 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 98.5 m -78.65 -43.89 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 119.928 -1.732 . . . . 0.0 112.162 168.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -46.09 -66.71 0.36 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.507 0.594 . . . . 0.0 110.444 159.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -56.85 -38.4 72.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.274 0.0 OUTLIER -58.92 -47.9 83.39 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.381 -1.45 . . . . 0.0 112.379 170.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.96 -43.69 95.03 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.383 0.992 . . . . 0.0 111.801 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.42 -39.71 84.34 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.733 -1.229 . . . . 0.0 111.881 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -71.7 -18.99 62.13 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.323 -1.485 . . . . 0.0 114.14 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -79.37 -32.26 43.09 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.673 1.589 . . . . 0.0 112.212 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -48.5 128.63 15.15 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.418 -0.801 . . . . 0.0 112.921 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 138.82 55.09 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.708 1.203 . . . . 0.0 113.924 174.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.732 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -113.77 100.57 8.56 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.052 0.842 . . . . 0.0 109.96 149.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -67.36 27.25 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.964 2.106 . . . . 0.0 115.913 -171.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 126.78 2.032 . . . . 0.0 114.196 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.527 ' HB3' HG22 ' A' ' 73' ' ' VAL . 71.4 mt . . . . . 0 CA--C 1.543 0.674 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 73' ' ' VAL . 52.9 p -110.45 171.95 7.16 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.374 1.469 . . . . 0.0 112.093 167.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -28.59 -66.62 0.08 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -159.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.5 p -63.8 -54.08 40.84 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -173.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.486 ' CD ' HH12 ' A' ' 98' ' ' ARG . 22.7 pm0 -60.37 -34.91 74.55 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.145 -1.597 . . . . 0.0 113.093 172.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 68' ' ' LEU . 42.4 t -59.8 -47.82 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 120.475 -1.39 . . . . 0.0 110.486 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.61 93.78 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.252 1.025 . . . . 0.0 111.607 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.1 t -68.12 -38.3 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 O-C-N 120.627 -1.295 . . . . 0.0 112.012 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -41.0 79.43 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.887 0.875 . . . . 0.0 112.48 168.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.54 -48.41 81.16 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.581 -0.699 . . . . 0.0 110.032 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -55.45 -43.4 75.39 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.055 -1.028 . . . . 0.0 111.798 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CD1' HD22 ' B' ' 124' ' ' LEU . 25.7 m-85 -53.14 -51.73 61.02 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 120.601 -1.312 . . . . 0.0 112.692 171.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.06 -31.46 25.35 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.458 1.026 . . . . 0.0 113.621 -167.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -49.89 -32.51 14.73 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.735 -1.228 . . . . 0.0 111.601 154.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -89.48 -8.74 52.25 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 173.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . 0.338 0.2 OUTLIER 54.94 50.41 15.6 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 131.401 3.88 . . . . 0.0 116.443 -163.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -116.62 73.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 120.103 -1.623 . . . . 0.0 112.144 -173.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -61.65 133.91 56.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.61 0.719 . . . . 0.0 112.094 -165.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.4 HD13 ' NH1' ' A' ' 113' ' ' ARG . 26.2 mm -85.24 125.55 69.73 Favored Pre-proline 0 CA--C 1.548 0.898 0 O-C-N 120.536 -1.353 . . . . 0.0 111.056 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.98 135.54 25.57 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.007 1.804 . . . . 0.0 109.13 171.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -40.35 -52.61 2.69 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 128.302 2.641 . . . . 0.0 113.113 -174.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -38.76 -47.23 1.36 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.2 mm -52.03 -55.62 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 121.334 -0.854 . . . . 0.0 111.079 173.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.36 -50.8 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.883 0.849 . . . . 0.0 110.518 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -51.86 -29.28 19.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.268 3.027 . . . . 0.0 112.912 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -83.87 -65.76 0.97 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.643 1.577 . . . . 0.0 112.469 166.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -48.29 -47.47 36.38 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.227 2.611 . . . . 0.0 112.858 -169.527 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 51.5 t -47.12 -42.66 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.281 1.032 . . . . 0.0 113.347 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -70.96 -50.33 35.75 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.262 -0.899 . . . . 0.0 111.749 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -77.37 69.87 3.68 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 122.337 1.065 . . . . 0.0 111.223 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.486 HH12 ' CD ' ' A' ' 72' ' ' GLU . 8.8 tpm_? -49.56 77.76 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.591 2.356 . . . . 0.0 114.699 -178.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.65 160.85 21.76 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.256 -0.903 . . . . 0.0 110.498 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -81.16 -62.08 1.76 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.574 1.149 . . . . 0.0 110.82 -171.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 t -102.63 153.66 19.89 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -166.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 29.4 mp0 -35.43 -51.59 0.61 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 128.018 2.527 . . . . 0.0 110.776 157.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -61.25 -40.81 95.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.112 -0.993 . . . . 0.0 112.009 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -72.05 -48.0 47.6 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.945 0.898 . . . . 0.0 111.379 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.3 m -63.78 -40.04 87.61 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 O-C-N 121.405 -0.809 . . . . 0.0 110.214 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.252 1.5 pp -67.2 -37.69 84.08 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 118.581 -1.248 . . . . 0.0 111.586 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -55.01 -57.52 11.37 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.516 -1.365 . . . . 0.0 111.943 170.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.403 ' CD2' HD23 ' A' ' 94' ' ' LEU . 82.4 t80 -53.67 -58.08 8.5 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.72 0.808 . . . . 0.0 111.596 177.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.407 HG21 ' CE2' ' A' ' 79' ' ' TYR . 93.0 mt -55.54 -53.65 34.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.071 0.948 . . . . 0.0 112.083 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -54.58 -48.24 72.36 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.058 -1.027 . . . . 0.0 112.171 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.1 m -56.96 -56.31 23.4 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.824 0.45 . . . . 0.0 111.639 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -66.65 -37.43 84.8 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.685 -0.634 . . . . 0.0 112.148 -174.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.4 ' NH1' HD13 ' A' ' 86' ' ' ILE . 5.0 ptm85 -66.57 -25.92 66.87 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.61 -1.931 . . . . 0.0 111.702 172.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 m -70.74 -39.18 73.47 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.887 -1.133 . . . . 0.0 113.809 165.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -57.07 7.45 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.97 1.259 . . . . 0.0 110.66 163.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -52.15 -44.94 64.81 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -49.71 -48.87 49.58 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.47 -1.394 . . . . 0.0 111.511 172.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.2 -46.27 91.16 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -51.61 -36.39 45.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.251 -1.531 . . . . 0.0 112.721 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -82.13 -0.54 45.27 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.573 -1.329 . . . . 0.0 113.648 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -112.23 -42.25 3.76 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.25 2.22 . . . . 0.0 112.75 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -50.0 154.42 1.12 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.58 132.99 55.44 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.044 1.737 . . . . 0.0 115.153 -176.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -125.35 130.17 51.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.96 0.904 . . . . 0.0 109.045 156.032 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.61 -1.7 11.96 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 . . . . . 0 CA--C 1.538 0.495 0 C-N-CA 126.575 1.95 . . . . 0.0 114.561 -178.876 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp . . . . . 0 CA--C 1.544 0.746 0 CA-C-O 122.479 1.133 . . . . 0.0 112.094 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 6.6 m -105.21 179.14 4.36 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.501 1.921 . . . . 0.0 111.235 170.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.95 -68.2 0.15 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -169.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 2.4 p -58.35 -57.15 14.19 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -175.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -60.27 -39.38 86.62 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.829 -1.169 . . . . 0.0 112.077 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.73 -48.13 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.414 -0.804 . . . . 0.0 111.372 173.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.51 -49.12 78.55 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.597 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.486 HG12 ' CE2' ' B' ' 79' ' ' TYR . 14.2 t -69.77 -31.48 48.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 O-C-N 121.239 -0.913 . . . . 0.0 111.623 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.34 -32.3 69.98 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 167.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.92 -50.01 58.56 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 170.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.08 -40.22 67.04 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.276 -1.515 . . . . 0.0 111.52 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.614 ' CE1' HD12 ' A' ' 124' ' ' LEU . 24.8 m-85 -52.12 -66.0 0.46 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.361 0.982 . . . . 0.0 113.377 168.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -77.32 -32.28 55.14 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.696 1.134 . . . . 0.0 113.222 -168.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -56.66 -40.8 76.14 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.151 -1.593 . . . . 0.0 110.952 162.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -78.94 1.66 22.93 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.867 -1.146 . . . . 0.0 113.828 170.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.78 32.46 2.47 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.277 2.231 . . . . 0.0 111.761 170.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.1 mt -106.73 120.8 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 126.716 2.007 . . . . 0.0 111.069 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -75.26 152.71 38.24 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 118.856 -1.138 . . . . 0.0 112.232 162.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 34.4 mm -114.27 126.76 27.58 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.674 1.99 . . . . 0.0 109.767 170.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.6 138.63 67.02 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.521 2.148 . . . . 0.0 112.834 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.2 -49.36 12.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.926 0.89 . . . . 0.0 111.856 173.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.69 -46.99 5.27 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.26 -57.02 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 121.339 -0.85 . . . . 0.0 109.274 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.96 -45.4 87.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.396 0.678 . . . . 0.0 110.727 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -49.01 -57.23 6.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.712 1.605 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -72.26 -55.79 6.6 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.469 -0.769 . . . . 0.0 111.854 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.402 HD23 ' CD1' ' B' ' 108' ' ' TYR . 0.8 OUTLIER -43.55 -46.36 7.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.797 1.639 . . . . 0.0 112.973 -177.664 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 51.0 t -54.61 -64.87 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 123.244 0.617 . . . . 0.0 111.92 168.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -35.12 65.67 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -174.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -61.18 -24.21 66.15 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 46.73 63.61 1.85 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 122.868 1.318 . . . . 0.0 112.989 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 32.6 mt -67.34 160.69 26.73 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.946 -1.096 . . . . 0.0 111.982 172.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -84.14 -48.35 9.93 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.324 1.05 . . . . 0.0 112.838 -157.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 46.4 p -145.61 174.36 11.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.283 1.039 . . . . 0.0 113.693 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -38.31 -43.72 0.83 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 130.378 3.471 . . . . 0.0 112.569 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -60.71 -50.22 74.35 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.399 -0.813 . . . . 0.0 111.856 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -68.95 -37.65 78.98 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.281 -0.887 . . . . 0.0 112.312 -177.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.03 -44.37 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.563 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.4 pp -64.32 -36.23 83.45 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.16 1.345 . . . . 0.0 111.685 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -57.28 -62.17 1.95 Allowed 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.034 -1.041 . . . . 0.0 111.309 172.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . 0.402 ' CD1' HD23 ' B' ' 94' ' ' LEU . 26.4 t80 -51.98 -56.28 15.22 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.456 0.702 . . . . 0.0 110.733 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.1 mt -57.05 -58.1 7.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 C-N-CA 122.77 0.428 . . . . 0.0 110.238 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.03 -37.56 69.37 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.71 -1.244 . . . . 0.0 112.715 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 64.9 m -63.05 -59.38 4.88 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.647 -0.658 . . . . 0.0 112.457 172.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -67.68 -34.79 77.61 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 122.267 1.032 . . . . 0.0 111.802 -174.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -54.01 -43.87 70.44 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.814 1.646 . . . . 0.0 111.122 165.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.262 53.3 m -64.57 -44.61 90.16 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 119.894 -1.754 . . . . 0.0 113.579 174.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -46.46 -58.08 4.09 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.553 0.615 . . . . 0.0 111.256 162.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -50.8 -48.45 59.57 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -57.51 -41.67 81.26 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.398 -1.439 . . . . 0.0 113.089 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.15 -45.21 74.17 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.256 0.934 . . . . 0.0 112.569 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -49.74 -34.11 18.09 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.267 -1.521 . . . . 0.0 112.249 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -90.02 20.94 3.93 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 120.323 -1.485 . . . . 0.0 112.668 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -121.86 -25.14 5.07 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.683 1.993 . . . . 0.0 113.311 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -75.2 58.09 0.9 Allowed 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -164.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.97 92.11 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.871 2.915 . . . . 0.0 118.871 162.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.534 HD22 ' CD1' ' A' ' 79' ' ' TYR . 20.7 tp -88.81 114.32 25.31 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 119.789 -1.819 . . . . 0.0 112.717 165.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -81.66 -36.9 28.28 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.443 1.497 . . . . 0.0 113.826 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 . . . . . 0 N--CA 1.479 1.012 0 C-N-CA 126.691 1.996 . . . . 0.0 116.331 169.591 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 121.07 0.462 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -70.34 -179.25 1.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.632 0.729 . . . . 0.0 111.409 162.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.74 30.81 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -162.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -64.27 -46.56 83.14 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.426 -1.421 . . . . 0.0 112.789 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -68.73 -32.09 71.63 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.574 -1.329 . . . . 0.0 113.005 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -45.22 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 119.648 -1.908 . . . . 0.0 111.427 171.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.46 -30.07 69.69 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.984 0.897 . . . . 0.0 112.315 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -42.48 40.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 120.326 -1.483 . . . . 0.0 112.12 173.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.01 -36.61 8.03 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.29 -0.881 . . . . 0.0 112.381 162.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . 0.259 0.0 OUTLIER -66.62 -46.42 75.92 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.506 -0.746 . . . . 0.0 110.872 173.322 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.07 -42.84 63.5 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.504 -1.372 . . . . 0.0 111.145 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.627 ' CE1' HD12 ' B' ' 124' ' ' LEU . 52.8 m-85 -61.77 -58.96 5.98 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 172.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.33 -27.7 42.1 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.369 1.44 . . . . 0.0 114.067 -170.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.49 -18.86 54.44 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.218 -1.551 . . . . 0.0 112.141 158.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -100.22 7.66 44.32 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.434 -1.416 . . . . 0.0 114.582 164.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 p30 47.95 32.53 2.87 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 129.749 3.22 . . . . 0.0 115.665 -170.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.5 mt -87.48 117.98 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 125.183 1.393 . . . . 0.0 111.435 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -71.74 139.03 48.92 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.136 -0.977 . . . . 0.0 110.743 166.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.2 128.9 24.83 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 126.039 1.736 . . . . 0.0 108.876 172.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.19 140.82 71.34 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.28 1.987 . . . . 0.0 113.066 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.8 t -39.82 -47.92 2.18 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.655 1.582 . . . . 0.0 111.568 162.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.42 -47.69 62.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.345 1.058 . . . . 0.0 113.443 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 mm -57.82 -48.17 84.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 120.657 -1.277 . . . . 0.0 109.946 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.1 -45.21 99.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 O-C-N 121.598 -0.689 . . . . 0.0 110.121 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -50.71 -50.76 54.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.225 1.81 . . . . 0.0 112.331 173.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -63.62 -69.2 0.29 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.164 0.985 . . . . 0.0 109.723 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -43.2 69.13 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.792 1.637 . . . . 0.0 113.528 -168.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.85 -33.17 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 O-C-N 120.386 -1.446 . . . . 0.0 112.617 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -54.75 6.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.922 0.889 . . . . 0.0 110.265 165.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 48.54 0.43 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 128.396 2.678 . . . . 0.0 113.316 -174.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.2 ttm105 -73.98 88.28 1.86 Allowed 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.707 -1.245 . . . . 0.0 112.739 -171.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.87 161.4 15.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.136 0.975 . . . . 0.0 110.615 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.18 -62.55 1.59 Allowed 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.815 -1.178 . . . . 0.0 110.429 -158.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.5 t -82.04 148.54 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.088 0.955 . . . . 0.0 112.591 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -39.24 -40.82 0.8 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.13 0.972 . . . . 0.0 112.59 159.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -58.15 -53.22 60.68 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.464 0.65 . . . . 0.0 111.108 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.93 -50.4 73.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.745 -0.597 . . . . 0.0 110.869 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.1 m -62.52 -37.93 80.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.919 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.291 0.9 OUTLIER -68.14 -36.46 79.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 120.457 1.48 . . . . 0.0 112.806 174.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.14 -55.67 29.68 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.796 0.808 . . . . 0.0 110.178 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.9 -51.94 67.54 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.834 0.854 . . . . 0.0 112.154 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -53.5 -52.98 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 O-C-N 121.441 -0.787 . . . . 0.0 110.588 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.9 -38.37 67.52 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.857 -1.152 . . . . 0.0 112.096 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.9 m -61.77 -59.19 5.53 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.585 -0.697 . . . . 0.0 112.509 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.41 -36.63 78.6 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 120.635 -1.291 . . . . 0.0 111.795 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -60.14 -30.54 69.36 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 119.914 -1.741 . . . . 0.0 111.99 169.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.2 m -75.7 -40.36 55.94 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.741 -1.224 . . . . 0.0 113.03 172.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -46.87 -54.38 10.06 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.142 0.883 . . . . 0.0 110.382 159.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -54.71 -43.53 72.64 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 175.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -48.29 -53.63 16.61 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.458 1.481 . . . . 0.0 111.049 170.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.92 -51.41 70.14 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.85 -0.531 . . . . 0.0 112.234 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -63.95 -14.42 53.64 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.801 -1.187 . . . . 0.0 113.942 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.3 -18.97 22.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 119.74 -1.85 . . . . 0.0 114.154 167.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -89.14 -47.19 8.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.963 2.105 . . . . 0.0 113.029 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -53.1 150.58 5.65 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -170.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.48 136.18 45.88 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.384 1.874 . . . . 0.0 115.385 -171.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.3 tp -126.24 125.63 42.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.021 1.328 . . . . 0.0 110.198 160.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.11 34.6 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.703 1.601 . . . . 0.0 114.952 177.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 CA--C 1.542 0.667 0 C-N-CA 126.613 1.965 . . . . 0.0 113.227 -178.314 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 CA--C 1.539 0.54 0 CA-C-O 121.185 0.516 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.6 p -75.55 178.99 5.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.659 0.784 . . . . 0.0 111.158 167.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.69 -54.42 42.06 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -157.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.8 p -62.74 -50.61 70.41 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.874 -1.141 . . . . 0.0 112.917 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 pm0 -63.98 -42.45 97.22 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.536 -1.353 . . . . 0.0 112.476 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -38.16 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 O-C-N 120.029 -1.669 . . . . 0.0 111.952 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.33 -52.93 42.14 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.72 0.772 . . . . 0.0 111.267 175.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.87 -35.95 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 120.933 -1.104 . . . . 0.0 111.485 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -41.71 76.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.428 1.091 . . . . 0.0 112.387 169.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.46 -51.73 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.481 -0.762 . . . . 0.0 109.686 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.8 mt -49.49 -43.46 45.28 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.389 -0.819 . . . . 0.0 112.941 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -53.27 -53.3 52.85 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.069 1.304 . . . . 0.0 112.502 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.67 -43.56 96.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.562 0.745 . . . . 0.0 111.695 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -53.83 -40.55 66.52 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.376 1.084 . . . . 0.0 110.758 167.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -8.1 54.45 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 173.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 66.3 56.22 0.81 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 128.058 2.543 . . . . 0.0 112.674 -171.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.5 mt -126.31 119.88 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.764 1.226 . . . . 0.0 110.912 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -75.89 138.97 41.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.285 161.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 mm -95.43 130.47 32.06 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 125.205 1.402 . . . . 0.0 110.086 170.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.91 131.67 43.48 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.561 2.174 . . . . 0.0 111.415 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.0 m -45.42 -46.04 13.17 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.183 1.393 . . . . 0.0 112.064 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -43.09 -43.24 4.33 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.2 mm -56.98 -54.88 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 O-C-N 120.607 -1.308 . . . . 0.0 109.883 173.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.16 -42.23 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 123.942 0.897 . . . . 0.0 111.449 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -52.13 -53.1 46.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.413 1.885 . . . . 0.0 112.158 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -68.67 -63.56 1.04 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.926 1.691 . . . . 0.0 112.274 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.05 -48.07 11.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.534 2.334 . . . . 0.0 113.878 -164.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 94.1 t -54.03 -37.95 36.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 O-C-N 121.422 -0.798 . . . . 0.0 112.948 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -74.08 -44.83 52.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.065 0.946 . . . . 0.0 111.869 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -52.87 -38.21 61.31 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.048 0.928 . . . . 0.0 110.935 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? 62.5 43.09 8.09 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.992 1.317 . . . . 0.0 114.228 161.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.16 160.66 17.9 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.391 -0.818 . . . . 0.0 112.223 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -82.52 -63.63 1.33 Allowed 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.294 -0.879 . . . . 0.0 111.212 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 25.2 p -104.66 164.88 11.44 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -169.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -50.0 -41.42 47.06 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.181 1.792 . . . . 0.0 111.449 172.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -62.12 -43.67 98.31 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.401 -0.812 . . . . 0.0 112.135 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.06 -50.36 62.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.751 -0.593 . . . . 0.0 110.796 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 17.9 m -63.19 -42.08 95.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.788 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.07 -41.58 97.28 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.106 1.321 . . . . 0.0 111.712 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . 0.285 5.9 p30 -73.96 -43.16 59.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.969 1.259 . . . . 0.0 113.09 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -60.01 -51.85 67.91 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.422 -0.799 . . . . 0.0 111.717 172.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 77.3 mt -51.88 -53.25 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 O-C-N 121.39 -0.819 . . . . 0.0 109.966 176.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.19 -36.57 70.98 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.082 -1.011 . . . . 0.0 112.93 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 67.6 m -61.52 -56.75 16.59 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.253 -0.904 . . . . 0.0 112.177 171.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.72 -34.34 72.79 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.823 -1.173 . . . . 0.0 112.274 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -68.55 -20.89 64.56 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.509 1.923 . . . . 0.0 111.902 172.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.29 76.8 m -80.03 -47.44 14.9 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 119.069 -2.269 . . . . 0.0 112.674 170.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -47.57 -51.62 20.36 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.331 0.514 . . . . 0.0 112.078 161.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -56.61 -49.85 73.71 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.301 13.0 pttm -52.98 -42.43 65.53 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 121.142 1.792 . . . . 0.0 113.228 170.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.88 -47.32 83.09 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.871 1.214 . . . . 0.0 112.469 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -62.49 -30.22 71.11 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.03 -1.669 . . . . 0.0 113.474 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -73.72 -20.46 60.51 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 119.425 -2.047 . . . . 0.0 113.092 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -94.52 -51.4 4.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.702 2.401 . . . . 0.0 113.449 -175.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -41.91 139.64 1.23 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.096 1.758 . . . . 0.0 115.699 -168.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 127.11 22.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.901 1.281 . . . . 0.0 114.426 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' A' ' 79' ' ' TYR . 1.1 tt -111.37 111.19 22.06 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 158.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.41 1.21 3.17 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -171.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.437 ' NH2' HD13 ' B' ' 124' ' ' LEU . 11.9 mmp_? . . . . . 0 CA--C 1.545 0.771 0 C-N-CA 126.239 1.816 . . . . 0.0 113.863 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.1 mt . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 121.717 0.77 . . . . 0.0 112.597 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -62.39 163.11 9.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.6 1.96 . . . . 0.0 111.347 170.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.28 -52.79 41.86 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -169.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.3 p -62.51 -48.06 81.21 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.444 -1.41 . . . . 0.0 113.372 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -63.29 -44.85 93.86 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.038 -1.039 . . . . 0.0 111.913 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -44.12 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 120.699 -1.25 . . . . 0.0 111.549 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.43 86.36 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.038 0.923 . . . . 0.0 111.557 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.8 t -74.65 -39.38 46.69 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 O-C-N 120.907 -1.12 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -40.85 29.66 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.121 -0.987 . . . . 0.0 113.068 161.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.53 -49.73 45.14 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.786 -0.571 . . . . 0.0 109.862 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.7 mt -50.64 -44.19 57.3 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.751 -1.218 . . . . 0.0 112.081 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -51.1 -52.81 40.01 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.087 -1.008 . . . . 0.0 112.601 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -76.76 -26.7 54.83 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 120.273 1.397 . . . . 0.0 114.247 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -56.57 -25.88 53.7 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 119.601 -1.937 . . . . 0.0 111.712 158.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.43 3.67 55.0 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 170.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 37.83 67.75 0.36 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.212 2.605 . . . . 0.0 115.395 -156.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.2 mt -121.32 110.93 29.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 125.063 1.345 . . . . 0.0 111.022 170.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -72.97 148.39 44.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 120.024 -0.67 . . . . 0.0 109.58 166.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mm -114.3 126.05 28.47 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 124.774 1.23 . . . . 0.0 109.734 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.76 130.04 37.82 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.247 1.965 . . . . 0.0 111.153 172.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 m -44.49 -38.94 4.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.462 1.105 . . . . 0.0 113.639 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.46 -43.94 17.02 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 171.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.9 mm -56.09 -55.38 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.137 -0.977 . . . . 0.0 109.922 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.35 -41.93 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 124.219 1.007 . . . . 0.0 111.051 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -46.34 -59.13 3.13 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.065 1.346 . . . . 0.0 111.456 172.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -71.21 -49.72 40.57 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.741 0.817 . . . . 0.0 112.232 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -47.16 -54.08 11.51 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.216 -0.928 . . . . 0.0 111.526 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.6 t -59.48 -34.84 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 174.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -58.73 -46.6 87.03 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 120.026 -1.671 . . . . 0.0 111.764 169.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -81.73 -68.48 0.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 63.22 89.62 0.09 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 128.563 2.745 . . . . 0.0 112.062 -168.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.88 175.47 8.02 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.47 0.653 . . . . 0.0 112.595 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -58.17 -39.9 80.06 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.341 -0.849 . . . . 0.0 112.945 -163.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 p -169.29 174.91 5.84 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.125 0.97 . . . . 0.0 112.082 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.542 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 3.1 mp0 -35.58 -54.54 0.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 129.527 3.131 . . . . 0.0 113.204 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.55 -43.44 98.8 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.349 -0.844 . . . . 0.0 111.838 -178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.26 -39.45 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.447 -0.783 . . . . 0.0 112.298 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.05 -48.98 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.963 172.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 4.0 pp -61.69 -35.26 77.49 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.632 -1.292 . . . . 0.0 112.872 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -55.98 -59.51 4.8 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.62 -1.3 . . . . 0.0 111.561 170.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.56 -52.98 63.19 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.229 1.012 . . . . 0.0 111.462 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.8 mt -53.16 -51.89 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.839 0.856 . . . . 0.0 111.188 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.96 -38.87 73.58 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.305 -1.497 . . . . 0.0 112.251 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.4 m -58.72 -59.04 6.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.384 0.674 . . . . 0.0 111.563 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.36 -34.67 69.06 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.92 -1.112 . . . . 0.0 113.641 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -72.01 -22.18 61.45 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.255 1.822 . . . . 0.0 111.512 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.261 99.4 m -79.64 -41.67 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 119.7 -1.875 . . . . 0.0 112.359 169.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -48.08 -59.82 3.09 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.579 0.627 . . . . 0.0 111.106 158.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -51.73 -46.22 63.92 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.252 14.1 pttm -60.12 -48.24 82.55 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.4 -1.437 . . . . 0.0 114.121 169.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.15 -46.97 84.7 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.482 1.492 . . . . 0.0 112.838 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -44.28 -54.6 5.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.844 1.658 . . . . 0.0 111.152 164.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -66.02 -26.99 67.78 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.215 -1.553 . . . . 0.0 113.707 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -69.99 -19.67 63.33 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.755 1.622 . . . . 0.0 112.915 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -56.04 130.07 42.47 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.898 -1.126 . . . . 0.0 113.219 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 141.94 22.15 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 170.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.682 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.1 OUTLIER -127.6 122.39 33.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.521 1.528 . . . . 0.0 109.064 155.137 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -72.01 24.41 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 126.327 1.851 . . . . 0.0 114.311 178.364 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.42 ' HB3' HG22 ' B' ' 73' ' ' VAL . 96.4 mt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 47.7 m -122.94 -168.25 1.72 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.696 1.998 . . . . 0.0 112.272 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.72 -74.12 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 -157.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 14.6 p -64.58 -43.67 93.12 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -173.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 -65.93 -35.66 81.21 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.023 -1.048 . . . . 0.0 112.626 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' B' ' 68' ' ' LEU . 76.7 t -64.96 -49.69 78.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.194 -0.941 . . . . 0.0 110.94 172.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.93 82.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 122.401 1.096 . . . . 0.0 111.097 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.47 -33.02 60.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.082 -1.011 . . . . 0.0 111.837 175.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.67 -29.24 69.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 168.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -78.04 -45.35 23.87 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.796 -0.565 . . . . 0.0 110.199 172.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 46.5 mt -50.7 -41.27 55.8 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 119.257 -2.152 . . . . 0.0 111.03 169.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.682 ' CE1' HD12 ' A' ' 124' ' ' LEU . 16.1 m-85 -58.22 -58.04 10.24 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 120.935 -1.103 . . . . 0.0 113.798 166.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -78.57 -32.94 47.95 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 120.137 1.335 . . . . 0.0 113.51 -165.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -43.96 -47.63 8.56 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.03 -1.669 . . . . 0.0 111.009 154.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -79.79 3.2 20.26 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.075 1.35 . . . . 0.0 113.0 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 42.05 58.06 3.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.43 3.092 . . . . 0.0 115.072 -164.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.53 HG23 ' NH2' ' B' ' 113' ' ' ARG . 21.3 mt -108.24 112.46 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.556 1.143 . . . . 0.0 111.663 170.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 50.6 ttp85 -86.81 115.27 24.12 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.162 -0.961 . . . . 0.0 109.796 166.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.35 132.91 89.45 Favored Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 120.548 -1.345 . . . . 0.0 111.45 173.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.53 135.88 29.65 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.844 1.696 . . . . 0.0 109.324 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 33.6 p -49.41 -38.62 29.65 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.595 1.958 . . . . 0.0 114.548 -171.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -44.19 -51.47 8.14 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.492 1.117 . . . . 0.0 113.162 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 mm -48.81 -52.31 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 121.982 0.896 . . . . 0.0 110.459 172.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -65.8 -42.54 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.65 -171.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -48.25 -70.24 0.1 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.506 0.593 . . . . 0.0 110.867 169.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -53.03 -51.82 60.46 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 122.682 1.229 . . . . 0.0 110.388 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' B' ' 108' ' ' TYR . 0.7 OUTLIER -58.79 -43.73 90.53 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.32 -0.863 . . . . 0.0 112.944 -178.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.5 t -58.06 -35.79 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 121.156 -0.965 . . . . 0.0 112.703 171.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -66.38 -63.86 0.98 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.33 0.968 . . . . 0.0 112.407 169.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -65.96 -43.57 87.53 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.221 -0.925 . . . . 0.0 112.893 -171.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 57.15 72.47 0.51 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 168.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.23 171.7 1.28 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.799 1.285 . . . . 0.0 114.339 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.86 -66.12 0.59 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 120.743 -1.223 . . . . 0.0 110.344 -164.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.37 173.46 11.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.177 0.991 . . . . 0.0 113.046 -167.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.3 mp0 -44.65 -54.64 5.96 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 127.502 2.321 . . . . 0.0 112.499 -170.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.6 -39.88 77.86 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.502 -0.749 . . . . 0.0 111.617 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -69.32 -50.82 43.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.843 -0.536 . . . . 0.0 111.342 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 34.7 m -64.06 -37.45 79.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 C-N-CA 119.18 -1.008 . . . . 0.0 111.035 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.74 -39.36 76.82 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.358 1.436 . . . . 0.0 112.578 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -46.28 84.74 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.375 0.989 . . . . 0.0 111.176 175.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . 0.404 ' CD1' HD23 ' B' ' 94' ' ' LEU . 57.4 t80 -58.64 -55.62 32.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.476 0.71 . . . . 0.0 112.122 175.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.8 mt -51.12 -54.52 10.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 124.063 0.945 . . . . 0.0 110.86 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -31.56 72.77 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.168 -0.957 . . . . 0.0 111.876 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -61.95 -58.6 7.28 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.091 -1.005 . . . . 0.0 113.142 168.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -57.33 -35.74 70.25 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.397 -1.439 . . . . 0.0 111.212 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.53 ' NH2' HG23 ' B' ' 84' ' ' ILE . 19.8 ttt85 -68.46 -30.59 69.49 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 119.775 -1.828 . . . . 0.0 112.121 174.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.2 m -68.37 -43.61 77.02 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.038 1.335 . . . . 0.0 112.492 168.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -47.84 -53.57 15.15 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.582 0.628 . . . . 0.0 110.15 162.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -54.91 -40.69 70.1 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -50.74 -58.03 6.91 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 120.611 1.55 . . . . 0.0 110.643 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.14 -45.48 91.71 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.863 0.839 . . . . 0.0 111.983 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -53.62 -39.95 65.36 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.8 -1.187 . . . . 0.0 112.083 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -74.29 -17.24 60.88 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.245 -1.534 . . . . 0.0 114.448 172.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -80.8 -38.15 28.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.374 1.87 . . . . 0.0 111.955 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -47.26 149.9 0.95 Allowed 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 134.09 36.36 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.222 1.809 . . . . 0.0 114.738 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 15.7 tp -112.54 119.38 37.98 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.724 0.81 . . . . 0.0 109.243 152.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.44 27.62 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.449 1.899 . . . . 0.0 115.765 -176.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? . . . . . 0 CA--C 1.542 0.65 0 C-N-CA 126.699 1.999 . . . . 0.0 113.523 -176.718 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.354 6.8 mp . . . . . 0 CA--C 1.548 0.886 0 CA-C-O 122.728 1.252 . . . . 0.0 111.876 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.9 t -83.83 -172.03 3.93 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.702 2.001 . . . . 0.0 111.704 161.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.09 -58.85 5.31 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -170.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.4 p -63.57 -49.35 73.73 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.375 -0.828 . . . . 0.0 113.098 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 pm0 -69.12 -33.21 73.1 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.887 -1.133 . . . . 0.0 112.568 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.37 -48.44 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 120.764 -1.21 . . . . 0.0 111.008 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.4 -39.92 70.77 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.151 0.977 . . . . 0.0 111.237 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.251 8.6 t -71.89 -33.84 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 O-C-N 121.532 -0.73 . . . . 0.0 112.653 176.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.09 -33.64 76.23 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 168.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -70.06 -50.49 40.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.598 -0.689 . . . . 0.0 109.202 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -52.05 -45.15 64.58 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.603 -1.311 . . . . 0.0 111.386 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -49.43 -49.09 46.61 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.077 -1.014 . . . . 0.0 112.798 170.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -83.42 -29.88 27.77 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.12 -17.81 20.86 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 119.198 -2.189 . . . . 0.0 112.174 154.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.83 -1.62 45.76 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 165.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 47.63 59.78 3.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 130.019 3.328 . . . . 0.0 114.508 -164.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.4 mt -112.62 98.39 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 124.389 1.076 . . . . 0.0 111.234 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.2 73.46 7.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.055 176.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.5 mm -32.1 129.15 0.32 Allowed Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 126.665 1.986 . . . . 0.0 113.631 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -71.69 139.11 33.25 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.902 1.735 . . . . 0.0 109.74 170.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.0 p -48.46 -42.14 31.62 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 125.878 1.671 . . . . 0.0 112.905 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.71 -49.54 4.27 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 172.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 mm -49.32 -55.63 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.923 0.868 . . . . 0.0 109.618 172.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.8 mt -64.98 -40.3 88.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.443 0.697 . . . . 0.0 110.708 -174.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.57 -59.28 4.2 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.608 1.563 . . . . 0.0 110.223 177.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.25 -56.45 14.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.294 -0.879 . . . . 0.0 111.712 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -48.13 76.12 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -168.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.25 -31.07 36.8 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.647 1.179 . . . . 0.0 113.256 172.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -51.13 17.15 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.569 -0.707 . . . . 0.0 111.721 171.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -59.75 -52.58 64.89 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.872 0.869 . . . . 0.0 112.905 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 59.78 68.64 0.77 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.778 1.231 . . . . 0.0 113.327 -177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.02 158.4 13.57 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.908 -0.495 . . . . 0.0 110.56 166.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -60.46 2.37 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.015 0.912 . . . . 0.0 111.229 -167.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.5 t -81.42 139.75 35.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.885 0.85 . . . . 0.0 113.268 -171.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -33.42 -49.85 0.3 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.132 1.773 . . . . 0.0 112.08 155.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -68.12 -36.27 79.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.394 -1.441 . . . . 0.0 112.777 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.01 -45.93 76.05 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.496 -0.753 . . . . 0.0 111.629 177.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.3 m -63.16 -43.24 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 118.983 0.81 . . . . 0.0 110.084 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.6 pp -67.32 -37.94 84.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 118.382 -1.327 . . . . 0.0 113.002 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -55.81 -58.37 8.15 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.265 -0.897 . . . . 0.0 111.349 172.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -54.97 -55.19 33.48 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.419 1.087 . . . . 0.0 111.967 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.17 -53.56 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.802 -0.561 . . . . 0.0 111.054 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -52.65 -44.42 66.13 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.645 -1.284 . . . . 0.0 112.357 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 m -56.53 -53.33 58.83 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.45 -0.781 . . . . 0.0 111.889 172.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -66.56 -31.25 71.84 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.867 -1.146 . . . . 0.0 113.858 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -60.57 -28.06 68.17 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 119.967 -1.708 . . . . 0.0 111.364 165.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.32 44.7 m -80.3 -40.07 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 119.866 -1.771 . . . . 0.0 114.297 174.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -47.63 -55.3 9.65 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.28 0.946 . . . . 0.0 110.796 157.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -52.81 -44.07 66.37 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -53.52 -52.14 60.57 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.108 -0.995 . . . . 0.0 112.886 170.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.77 -42.07 98.51 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 121.994 0.902 . . . . 0.0 112.021 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.5 -29.39 69.95 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.202 -1.561 . . . . 0.0 112.895 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -77.79 1.99 18.48 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 119.862 -1.774 . . . . 0.0 113.479 171.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -127.3 -20.49 4.06 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.434 1.894 . . . . 0.0 113.774 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -71.35 35.75 0.05 Allowed 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 118.314 2.709 . . . . 0.0 118.314 -162.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.18 124.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.597 2.359 . . . . 0.0 117.277 168.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.97 124.65 35.59 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.591 1.556 . . . . 0.0 109.785 159.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.59 33.94 0.11 Allowed 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.553 -1.342 . . . . 0.0 114.079 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.453 HH22 ' CD ' ' B' ' 110' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.745 0 C-N-CA 127.051 2.14 . . . . 0.0 114.268 -175.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 113.415 0.894 . . . . 0.0 113.415 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t -85.1 -175.75 5.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.554 0.742 . . . . 0.0 111.449 163.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -61.77 2.1 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -158.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 7.9 p -57.65 -45.96 84.81 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.421 -1.425 . . . . 0.0 113.4 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -68.62 -42.29 78.31 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.021 -1.049 . . . . 0.0 111.459 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.32 -40.31 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 120.615 -1.303 . . . . 0.0 111.53 175.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.1 99.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.999 0.904 . . . . 0.0 111.499 174.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -72.68 -35.3 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 O-C-N 120.653 -1.28 . . . . 0.0 112.585 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -39.99 58.45 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.417 1.087 . . . . 0.0 113.055 161.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.49 -49.96 42.98 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.873 -0.517 . . . . 0.0 109.892 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.54 -44.8 66.02 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.353 -1.467 . . . . 0.0 111.81 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -52.7 -49.29 65.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.536 171.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.26 64.9 mm-40 -79.84 -29.64 40.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 121.366 1.894 . . . . 0.0 114.478 -177.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -52.81 -28.85 24.51 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 119.856 -1.778 . . . . 0.0 111.195 155.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 29.6 m -95.75 1.58 53.43 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 171.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 40.17 69.12 0.34 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.454 2.302 . . . . 0.0 116.75 -160.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -122.19 105.2 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 126.122 1.769 . . . . 0.0 111.835 168.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.4 110.71 18.84 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 120.054 -1.654 . . . . 0.0 110.691 -177.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 33.3 mm -70.3 132.06 88.14 Favored Pre-proline 0 CA--C 1.551 1.016 0 O-C-N 118.814 -2.429 . . . . 0.0 112.225 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.477 ' CD ' HH12 ' B' ' 113' ' ' ARG . 59.1 Cg_endo -77.42 136.52 15.82 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.163 2.575 . . . . 0.0 109.394 168.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -44.39 -40.67 5.59 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 128.717 2.807 . . . . 0.0 113.537 -176.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.61 -37.91 42.87 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 21.0 mm -55.62 -53.0 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 O-C-N 121.004 -1.06 . . . . 0.0 109.933 170.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.63 -45.18 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.874 -168.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -35.72 -59.2 0.58 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.649 1.979 . . . . 0.0 111.879 171.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.4 -62.95 1.19 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.723 1.209 . . . . 0.0 110.874 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' B' ' 108' ' ' TYR . 1.2 tm? -52.55 -42.08 64.11 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.84 1.256 . . . . 0.0 113.349 -164.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 72.0 t -48.17 -41.26 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 O-C-N 121.246 -0.909 . . . . 0.0 112.862 173.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -74.05 -42.87 59.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.33 1.052 . . . . 0.0 112.464 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -71.38 67.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.329 1.452 . . . . 0.0 110.663 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -67.21 77.88 0.15 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.291 1.436 . . . . 0.0 113.52 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.62 173.05 2.96 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.604 0.761 . . . . 0.0 111.936 172.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -71.19 -43.89 66.52 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.614 -0.679 . . . . 0.0 112.754 -168.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 4.4 p -168.6 175.24 6.27 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -170.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 3.0 mp0 -33.06 -56.51 0.39 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 130.201 3.4 . . . . 0.0 114.338 178.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -57.93 -47.36 83.09 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.881 -1.137 . . . . 0.0 111.414 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -69.11 -38.42 78.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.913 -0.492 . . . . 0.0 111.715 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.63 -39.28 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.795 173.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.269 1.1 pp -64.11 -40.4 96.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 121.269 1.849 . . . . 0.0 111.121 176.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -53.77 -57.47 10.77 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.431 -0.793 . . . . 0.0 110.716 172.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . 0.5 ' CD1' HD23 ' B' ' 94' ' ' LEU . 46.9 t80 -56.49 -58.4 8.17 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.565 -0.709 . . . . 0.0 112.309 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 83.9 mt -49.36 -46.55 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 123.768 0.827 . . . . 0.0 111.374 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . 0.453 ' CD ' HH22 ' A' ' 126' ' ' ARG . 56.2 mt-10 -66.79 -36.7 83.01 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 68.9 p -61.25 -51.74 67.66 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 120.535 -1.353 . . . . 0.0 112.082 168.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -67.34 -28.75 68.24 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.666 -1.271 . . . . 0.0 112.541 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.477 HH12 ' CD ' ' B' ' 87' ' ' PRO . 2.0 ttt85 -65.9 -29.78 70.26 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.04 -1.663 . . . . 0.0 111.48 167.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 92.5 m -75.22 -35.48 61.47 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.976 -1.078 . . . . 0.0 113.238 170.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -51.93 -56.46 13.99 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.365 0.984 . . . . 0.0 110.399 157.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -54.7 -41.85 70.76 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -60.69 -45.33 94.59 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.698 -1.251 . . . . 0.0 111.536 172.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.14 -48.36 76.33 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.188 0.904 . . . . 0.0 112.697 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -51.26 -41.91 60.71 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.549 -1.344 . . . . 0.0 111.568 171.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -79.44 -9.14 59.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 173.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -82.44 -32.93 28.72 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.24 1.816 . . . . 0.0 111.487 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -47.62 122.02 4.5 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.76 130.81 42.14 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.368 2.267 . . . . 0.0 114.434 172.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 26.8 tp -99.02 113.84 26.22 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.54 1.064 . . . . 0.0 109.933 149.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -69.69 -29.96 67.5 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.034 0.934 . . . . 0.0 112.677 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.412 ' HE ' ' C ' ' B' ' 126' ' ' ARG . 0.0 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 C-N-CA 127.323 2.249 . . . . 0.0 115.282 173.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 CA--C 1.544 0.724 0 CA-C-O 121.921 0.867 . . . . 0.0 112.789 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -113.74 -177.93 3.25 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.472 1.509 . . . . 0.0 112.175 170.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -30.61 -65.16 0.12 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.693 1.997 . . . . 0.0 116.22 -170.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.7 p -65.17 -57.57 8.22 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -57.38 -42.49 82.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.132 -0.98 . . . . 0.0 112.047 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.77 -47.67 92.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 120.901 -1.124 . . . . 0.0 111.35 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.79 70.21 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.749 0.785 . . . . 0.0 112.392 177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.8 t -75.5 -45.4 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 O-C-N 121.081 -1.012 . . . . 0.0 112.151 174.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.95 -42.05 65.08 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.423 1.489 . . . . 0.0 113.45 169.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.68 -54.18 46.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.566 0.698 . . . . 0.0 109.159 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.67 -35.61 70.8 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.777 -0.577 . . . . 0.0 112.489 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CD1' HD22 ' B' ' 124' ' ' LEU . 15.2 m-85 -55.13 -59.51 4.67 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.167 0.894 . . . . 0.0 111.97 168.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -70.88 -28.55 64.64 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 120.057 1.299 . . . . 0.0 112.537 -173.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -55.74 -39.59 71.34 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.405 -1.434 . . . . 0.0 112.344 160.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.4 p -80.63 5.77 14.59 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 170.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 57.98 42.5 22.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.396 2.278 . . . . 0.0 113.174 -173.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.2 mt -105.54 104.3 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 124.565 1.146 . . . . 0.0 112.363 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -69.26 142.74 54.09 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.872 0.844 . . . . 0.0 111.724 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.1 mm -108.59 120.47 46.22 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.253 1.421 . . . . 0.0 110.202 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.82 134.79 26.49 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 121.778 1.652 . . . . 0.0 109.961 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -34.1 -56.01 0.49 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.755 2.422 . . . . 0.0 114.391 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -32.14 -50.39 0.22 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.209 1.803 . . . . 0.0 114.404 173.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.2 mm -53.22 -55.02 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 O-C-N 120.781 -1.199 . . . . 0.0 111.028 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.25 -46.18 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 C-N-CA 124.277 1.031 . . . . 0.0 111.355 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -50.27 -49.76 52.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.12 1.768 . . . . 0.0 112.212 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -70.36 -61.23 1.85 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.375 1.47 . . . . 0.0 111.507 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.82 -42.98 48.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.289 1.436 . . . . 0.0 113.972 -165.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.6 t -49.94 -39.97 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 O-C-N 121.401 -0.812 . . . . 0.0 112.729 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -72.32 -44.48 62.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.037 0.935 . . . . 0.0 111.85 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -56.23 -40.45 74.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.222 1.009 . . . . 0.0 111.799 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? 63.14 44.62 5.64 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 157.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.94 169.23 17.32 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.183 -0.948 . . . . 0.0 113.425 -171.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -80.04 -58.96 2.91 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 120.821 -1.174 . . . . 0.0 112.075 -168.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.4 p -115.55 168.2 10.21 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -171.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -46.05 -42.23 13.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.47 1.108 . . . . 0.0 113.15 169.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -64.61 -45.98 84.61 Favored 'General case' 0 C--O 1.222 -0.391 0 O-C-N 121.148 -0.97 . . . . 0.0 111.073 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.43 -46.44 79.93 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.919 -1.113 . . . . 0.0 111.259 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.98 -42.4 94.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.406 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.016 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.94 -39.33 93.35 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.404 1.456 . . . . 0.0 112.24 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -60.21 -56.85 16.55 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.092 0.86 . . . . 0.0 110.461 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -58.56 -51.4 70.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.798 0.439 . . . . 0.0 111.648 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.84 -54.63 15.44 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 O-C-N 121.535 -0.728 . . . . 0.0 110.837 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -30.47 71.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.982 -1.074 . . . . 0.0 111.923 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.4 m -61.87 -58.62 7.26 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.663 -1.273 . . . . 0.0 112.659 169.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.73 -34.16 75.32 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.276 -1.515 . . . . 0.0 111.7 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -63.94 -33.84 76.63 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 119.551 -1.968 . . . . 0.0 111.536 171.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 97.9 m -62.93 -44.86 94.94 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.116 -0.99 . . . . 0.0 112.376 167.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -47.3 -56.68 6.34 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.614 0.643 . . . . 0.0 110.892 164.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -54.38 -41.08 68.8 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 174.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -51.11 -55.27 18.6 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.67 -1.269 . . . . 0.0 109.295 170.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.66 -45.63 88.93 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.911 0.884 . . . . 0.0 113.007 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.495 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 73.8 mm-40 -53.07 -45.56 68.2 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.587 -1.321 . . . . 0.0 111.961 173.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -75.13 -20.13 59.56 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.76 -43.4 37.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.698 1.599 . . . . 0.0 112.349 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.495 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 47.3 mtmt -53.07 144.19 15.89 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -172.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -60.97 136.65 58.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.394 2.278 . . . . 0.0 114.533 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.5 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.5 OUTLIER -114.02 121.66 44.55 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 153.336 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.46 -9.38 12.46 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.41 ' H ' HD22 ' A' ' 124' ' ' LEU . 26.4 mmt85 . . . . . 0 CA--C 1.535 0.401 0 C-N-CA 125.947 1.699 . . . . 0.0 112.635 -178.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 CA--C 1.541 0.624 0 CA-C-O 122.822 1.296 . . . . 0.0 112.649 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -96.29 170.76 9.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.331 2.653 . . . . 0.0 111.683 169.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.26 -66.22 0.13 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.055 1.742 . . . . 0.0 115.446 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.6 p -60.73 -56.37 22.11 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -61.28 -38.07 85.45 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.336 1.426 . . . . 0.0 112.174 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.63 -46.39 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.244 -0.91 . . . . 0.0 111.704 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.06 74.99 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.975 0.893 . . . . 0.0 110.901 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.495 HG12 ' CE2' ' B' ' 79' ' ' TYR 0.287 7.4 t -78.32 -27.76 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 O-C-N 121.317 -0.864 . . . . 0.0 112.685 177.535 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.62 -37.63 73.61 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.03 -1.669 . . . . 0.0 112.857 166.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.41 -52.12 62.9 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . 0.438 ' HB3' HD21 ' A' ' 124' ' ' LEU . 96.0 mt -49.71 -43.01 47.3 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.626 -0.671 . . . . 0.0 112.226 172.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.5 ' CE1' HD12 ' A' ' 124' ' ' LEU . 27.9 m-85 -57.25 -66.4 0.46 Allowed 'General case' 0 C--O 1.239 0.501 0 O-C-N 120.467 -1.395 . . . . 0.0 113.51 170.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.58 -42.96 67.14 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.442 -0.786 . . . . 0.0 111.507 -167.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -57.93 -39.0 76.93 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.905 -1.122 . . . . 0.0 112.345 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 45.3 t -60.23 -50.21 74.54 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 120.777 -1.202 . . . . 0.0 111.228 171.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.252 26.7 p-10 123.81 40.82 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 130.658 3.583 . . . . 0.0 112.941 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 40.7 mt -116.83 119.87 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 126.632 1.973 . . . . 0.0 110.77 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -80.64 145.99 31.39 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.213 0.53 . . . . 0.0 110.954 164.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 mm -106.72 133.91 20.06 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 125.168 1.387 . . . . 0.0 112.403 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.45 133.57 46.67 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.765 2.31 . . . . 0.0 112.786 165.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.6 p -44.96 -56.28 4.74 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.688 1.995 . . . . 0.0 113.28 172.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -36.08 -56.97 0.72 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.078 1.751 . . . . 0.0 114.511 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 pt -65.38 -37.26 79.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 O-C-N 120.742 -1.224 . . . . 0.0 113.035 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -56.75 -46.86 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 119.866 1.212 . . . . 0.0 111.053 173.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -53.95 -63.66 1.08 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.672 0.789 . . . . 0.0 111.263 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.59 -45.48 93.81 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.839 -1.163 . . . . 0.0 110.754 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.71 -51.31 50.91 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.006 -1.059 . . . . 0.0 112.842 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.24 -39.44 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 120.962 -1.087 . . . . 0.0 113.554 174.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.86 -53.87 47.51 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.731 0.812 . . . . 0.0 112.957 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -51.48 -31.55 24.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.268 1.427 . . . . 0.0 112.002 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 57.22 61.25 2.6 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.669 1.223 . . . . 0.0 112.808 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.68 156.15 36.05 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.729 164.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -93.54 -58.56 2.24 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.024 0.53 . . . . 0.0 111.59 -159.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 21.2 p -106.17 164.99 11.56 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -45.46 -39.65 7.43 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.534 2.333 . . . . 0.0 111.95 171.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -62.57 -47.75 82.48 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.219 -0.926 . . . . 0.0 112.127 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -68.51 -43.96 75.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.969 -0.457 . . . . 0.0 110.671 -176.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . 0.429 HG23 HG21 ' B' ' 75' ' ' VAL . 27.8 m -66.17 -41.6 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.01 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.256 1.1 pp -64.79 -36.6 84.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.351 1.432 . . . . 0.0 111.749 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -58.47 -58.04 10.27 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.883 -1.135 . . . . 0.0 111.484 174.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -52.34 -59.96 3.79 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.526 0.73 . . . . 0.0 111.019 175.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.446 HG21 ' CE2' ' B' ' 79' ' ' TYR . 90.2 mt -57.79 -47.97 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.241 0.616 . . . . 0.0 110.853 -172.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.64 -42.87 93.73 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.049 -1.657 . . . . 0.0 112.423 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.1 m -60.74 -51.7 68.24 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.663 -0.648 . . . . 0.0 111.722 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -73.67 -29.37 62.27 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.169 -0.957 . . . . 0.0 112.703 -174.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -57.83 -43.99 86.16 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.22 -1.55 . . . . 0.0 110.916 161.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.315 98.2 m -60.52 -44.64 95.82 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.654 -1.279 . . . . 0.0 113.307 175.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -48.76 -58.45 4.77 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.4 0.545 . . . . 0.0 112.062 159.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -55.38 -41.44 72.61 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.256 17.4 pttm -59.79 -44.9 93.71 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 121.019 1.736 . . . . 0.0 112.56 169.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.8 -46.33 84.79 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 120.34 1.427 . . . . 0.0 111.979 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -55.03 -46.0 75.22 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.96 1.304 . . . . 0.0 112.455 173.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -66.22 -27.89 68.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.028 1.331 . . . . 0.0 112.299 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -79.97 -33.01 39.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.405 1.882 . . . . 0.0 113.417 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -43.11 135.11 3.33 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.81 0.844 . . . . 0.0 112.232 173.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -95.35 114.92 26.74 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -173.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 79' ' ' TYR . 15.5 tp -70.28 85.41 0.57 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.709 -1.244 . . . . 0.0 111.109 169.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -55.18 -24.48 27.16 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.868 1.267 . . . . 0.0 114.322 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 169.807 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp . . . . . 0 CA--C 1.543 0.711 0 CA-C-O 122.843 1.306 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.3 t -84.06 177.9 8.06 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.402 1.481 . . . . 0.0 112.175 166.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.38 -62.46 1.26 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -172.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 p -58.13 -55.58 33.18 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -60.7 -39.99 90.6 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.851 -1.156 . . . . 0.0 111.889 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.86 -44.88 91.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 120.892 -1.13 . . . . 0.0 111.75 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.42 -42.37 87.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.883 0.849 . . . . 0.0 111.562 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.649 HG12 ' CE2' ' A' ' 79' ' ' TYR . 5.9 t -79.92 -38.04 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.475 -0.766 . . . . 0.0 112.181 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.54 -42.29 15.59 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.809 -1.182 . . . . 0.0 112.638 163.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.46 -52.41 58.14 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.975 -0.453 . . . . 0.0 109.856 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.6 mt -51.56 -46.08 63.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.91 -0.493 . . . . 0.0 110.708 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.649 ' CE2' HG12 ' A' ' 75' ' ' VAL . 35.5 m-85 -57.92 -59.91 4.53 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.101 -1.0 . . . . 0.0 112.219 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.08 -41.74 81.43 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.718 0.69 . . . . 0.0 110.786 -172.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -59.4 -38.16 79.88 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.607 -1.308 . . . . 0.0 112.67 170.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.1 t -69.39 -7.36 36.85 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.242 -1.536 . . . . 0.0 113.493 172.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 66.93 48.07 1.34 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.916 2.487 . . . . 0.0 111.677 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mt -122.29 84.89 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 126.185 1.794 . . . . 0.0 110.791 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -58.87 127.63 33.18 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.821 -0.549 . . . . 0.0 112.274 -171.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.473 HD13 ' NH1' ' A' ' 113' ' ' ARG . 42.6 mm -86.19 115.92 63.81 Favored Pre-proline 0 CA--C 1.544 0.738 0 O-C-N 120.808 -1.182 . . . . 0.0 110.755 167.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HD3' HH12 ' A' ' 113' ' ' ARG . 32.8 Cg_endo -72.89 140.16 31.41 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.461 1.441 . . . . 0.0 108.837 168.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.6 p -51.93 -28.61 17.07 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.354 1.462 . . . . 0.0 113.403 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.97 -35.5 59.04 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.603 1.161 . . . . 0.0 114.042 172.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.57 -42.86 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 119.99 -1.694 . . . . 0.0 110.33 169.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.7 mt -68.64 -43.08 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.911 0.885 . . . . 0.0 110.922 -172.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -37.77 -58.17 0.93 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.541 1.936 . . . . 0.0 112.106 165.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -68.66 -65.94 0.64 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 122.565 1.174 . . . . 0.0 109.95 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -53.44 17.7 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.925 1.29 . . . . 0.0 113.575 -171.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 68.9 t -52.28 -49.83 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 121.388 -0.82 . . . . 0.0 112.53 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.64 -41.21 72.47 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.782 0.719 . . . . 0.0 112.665 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -55.24 -36.61 66.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.006 0.922 . . . . 0.0 112.615 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 55.1 68.9 0.79 Allowed 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 123.666 1.698 . . . . 0.0 113.706 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.08 163.37 25.17 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.557 158.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -123.76 -39.08 2.44 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -164.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.8 t -87.01 147.07 25.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.147 0.885 . . . . 0.0 111.628 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 24.7 mp0 -49.23 -36.15 19.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.324 1.45 . . . . 0.0 111.409 166.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -62.64 -47.36 84.07 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.907 -1.121 . . . . 0.0 112.228 172.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -63.88 -48.93 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.221 -0.925 . . . . 0.0 111.588 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.36 -42.84 97.06 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.629 HD13 ' NH1' ' B' ' 126' ' ' ARG 0.284 1.0 OUTLIER -63.78 -41.6 97.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 120.204 1.366 . . . . 0.0 112.597 178.117 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.429 ' N ' HD12 ' A' ' 106' ' ' LEU . 86.8 m-20 -60.41 -56.42 21.6 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.217 -0.927 . . . . 0.0 110.899 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -63.08 -49.08 75.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.411 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -50.98 -55.91 6.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 174.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.261 32.4 mt-10 -63.06 -30.89 71.95 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.701 -1.25 . . . . 0.0 113.474 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.6 m -60.48 -57.76 11.38 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.416 -0.802 . . . . 0.0 112.133 165.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.43 -31.5 72.74 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.517 -1.365 . . . . 0.0 112.944 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.473 ' NH1' HD13 ' A' ' 86' ' ' ILE . 67.6 mtp85 -65.01 -32.09 73.65 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.116 -1.615 . . . . 0.0 111.033 168.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.329 96.8 m -69.01 -39.1 79.5 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.45 -1.406 . . . . 0.0 114.024 168.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.35 -64.37 0.81 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.339 0.972 . . . . 0.0 110.529 158.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -52.2 -42.11 63.23 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -58.08 -49.94 75.2 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.022 -1.049 . . . . 0.0 112.418 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.65 -39.54 67.09 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.04 0.837 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -52.33 -45.63 65.71 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.226 -1.546 . . . . 0.0 111.562 167.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.38 -4.41 10.95 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 119.582 -1.949 . . . . 0.0 113.844 172.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -104.34 -8.86 18.93 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.937 2.095 . . . . 0.0 111.724 172.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -67.21 128.57 36.89 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.908 -1.12 . . . . 0.0 110.855 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 138.05 58.28 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -175.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.709 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.6 OUTLIER -103.77 104.4 14.41 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.726 -0.609 . . . . 0.0 109.524 155.467 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.95 21.7 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -172.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.521 ' NH2' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.662 0 C-N-CA 125.252 1.421 . . . . 0.0 114.497 -174.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.464 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -122.55 -168.52 1.75 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.974 2.109 . . . . 0.0 111.25 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -33.8 -69.77 0.09 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.394 1.877 . . . . 0.0 115.115 -165.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 4.3 p -62.53 -64.15 1.01 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' B' ' 72' ' ' GLU . 7.1 pm0 -55.53 -40.69 72.17 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.269 -1.519 . . . . 0.0 112.638 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 89.6 t -62.78 -43.66 98.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 120.985 -1.072 . . . . 0.0 111.906 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.56 -47.62 83.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.005 0.907 . . . . 0.0 111.327 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.494 HG12 ' CE2' ' B' ' 79' ' ' TYR . 23.6 t -68.32 -30.27 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 O-C-N 120.893 -1.13 . . . . 0.0 111.045 -177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -34.85 60.84 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.79 -1.194 . . . . 0.0 113.633 167.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -76.67 -50.51 13.55 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 73.2 mt -47.04 -38.58 11.25 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.5 -1.375 . . . . 0.0 111.758 173.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.709 ' CE1' HD12 ' A' ' 124' ' ' LEU . 19.1 m-85 -59.35 -58.56 8.09 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 167.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -76.01 -30.94 58.68 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.655 1.116 . . . . 0.0 113.728 -170.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -59.59 -25.73 64.85 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 119.331 -2.105 . . . . 0.0 111.763 159.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.32 -1.77 58.15 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 119.845 -1.784 . . . . 0.0 114.86 165.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 51.45 56.19 8.28 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 130.973 3.709 . . . . 0.0 114.545 -166.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.541 HG23 ' NH2' ' B' ' 113' ' ' ARG . 31.1 mt -110.61 111.95 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 124.431 1.093 . . . . 0.0 111.584 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -72.97 119.77 17.68 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.887 -1.133 . . . . 0.0 108.053 163.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 28.1 mm -83.46 126.17 72.13 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 120.419 -1.426 . . . . 0.0 109.238 168.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.72 137.96 33.57 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.604 2.202 . . . . 0.0 112.717 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -47.38 -44.49 24.28 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 125.129 1.372 . . . . 0.0 111.682 174.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.52 -44.71 69.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 171.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.79 -52.9 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 120.719 -1.238 . . . . 0.0 109.315 172.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.83 -45.38 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.861 -0.524 . . . . 0.0 110.441 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -48.42 -59.28 3.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.628 1.171 . . . . 0.0 112.546 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.81 -54.79 18.94 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 122.022 -0.424 . . . . 0.0 111.637 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -48.85 37.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.464 1.106 . . . . 0.0 111.718 -175.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.74 -41.5 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 124.835 1.254 . . . . 0.0 112.534 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -67.37 -53.59 28.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.776 0.83 . . . . 0.0 111.554 173.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -62.55 -32.15 73.06 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.018 -1.051 . . . . 0.0 113.381 -174.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? 62.87 51.96 2.81 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 157.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.82 179.58 1.07 Allowed 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.82 -43.83 4.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.421 1.088 . . . . 0.0 113.536 -167.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.7 t -120.7 152.85 37.73 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -39.22 -48.44 1.78 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 128.67 2.788 . . . . 0.0 112.137 167.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -62.07 -43.57 98.56 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.475 0.655 . . . . 0.0 111.793 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -67.73 -46.28 72.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.155 -0.966 . . . . 0.0 111.025 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 19.1 m -64.68 -44.59 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 118.611 -0.709 . . . . 0.0 109.655 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.26 2.1 pp -62.43 -42.16 99.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.942 1.247 . . . . 0.0 112.079 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -61.58 -55.4 31.22 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.98 0.809 . . . . 0.0 110.766 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -59.67 -52.27 66.25 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.839 0.456 . . . . 0.0 110.987 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -52.6 -55.12 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 O-C-N 121.691 -0.631 . . . . 0.0 111.501 175.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -66.98 -30.66 70.85 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.32 -1.487 . . . . 0.0 113.257 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 85.2 m -60.12 -60.3 4.04 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.564 -0.71 . . . . 0.0 111.651 165.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -55.86 -37.25 68.52 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.4 1.095 . . . . 0.0 112.355 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.541 ' NH2' HG23 ' B' ' 84' ' ' ILE . 57.2 ttt85 -68.71 -27.83 66.3 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.904 1.681 . . . . 0.0 111.405 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 70.5 m -78.93 -37.44 39.74 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.554 -1.341 . . . . 0.0 113.002 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -49.27 -59.46 3.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.763 0.71 . . . . 0.0 111.163 159.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -50.97 -47.89 61.23 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.15 -0.969 . . . . 0.0 113.146 175.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -50.09 -49.45 51.47 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.052 -1.03 . . . . 0.0 111.765 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.43 -44.08 83.86 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -50.38 -40.42 49.6 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.052 -1.655 . . . . 0.0 111.409 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -81.18 13.72 2.7 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.513 -1.367 . . . . 0.0 113.05 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -125.62 -23.17 4.1 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 127.142 2.177 . . . . 0.0 113.542 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -59.79 163.06 4.74 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 116.64 18.29 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.495 HD13 ' H ' ' B' ' 126' ' ' ARG . 1.2 tm? -99.62 112.92 25.09 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.764 -1.21 . . . . 0.0 110.641 167.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.48 18.58 5.19 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -170.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.629 ' NH1' HD13 ' A' ' 106' ' ' LEU . 2.6 mmt180 . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 170.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.26 7.8 mp . . . . . 0 CA--C 1.54 0.59 0 CA-C-O 123.537 1.637 . . . . 0.0 109.845 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -66.53 168.77 8.6 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.343 -1.299 . . . . 0.0 111.321 168.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.7 -52.9 10.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.302 1.041 . . . . 0.0 113.286 -176.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.2 p -59.88 -43.03 94.97 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.27 -45.37 80.74 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 122.308 1.051 . . . . 0.0 110.555 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -64.25 -45.61 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 121.286 -0.884 . . . . 0.0 110.84 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.16 96.68 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.599 -0.688 . . . . 0.0 111.452 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.59 -41.28 85.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.49 -0.756 . . . . 0.0 111.653 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.06 -36.52 70.63 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 170.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.57 -51.45 42.53 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.34 -49.93 17.03 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.021 -1.049 . . . . 0.0 112.123 170.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -49.17 -53.14 22.47 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.998 -1.064 . . . . 0.0 112.913 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -85.15 -24.79 27.81 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -172.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -49.0 -45.09 41.82 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.083 -1.636 . . . . 0.0 109.534 153.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 m -75.66 -7.09 53.44 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 53.17 73.66 0.35 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.214 3.006 . . . . 0.0 114.284 -167.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.5 mt -133.65 110.09 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 125.798 1.639 . . . . 0.0 110.591 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.4 HH22 ' CD ' ' B' ' 92' ' ' GLU . 26.2 ttt180 -65.37 129.76 40.9 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.077 165.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.0 mm -96.57 125.74 46.0 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 124.741 1.216 . . . . 0.0 109.042 170.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.98 140.54 69.32 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 121.851 1.7 . . . . 0.0 112.001 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.6 p -50.16 -36.46 30.29 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.803 -0.561 . . . . 0.0 110.883 163.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.16 -22.01 66.58 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.346 1.458 . . . . 0.0 114.716 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.63 -53.37 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 119.412 -2.055 . . . . 0.0 109.07 163.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.6 -40.56 79.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.227 1.411 . . . . 0.0 110.275 -169.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -29.63 -71.9 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.648 2.379 . . . . 0.0 112.863 163.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -74.51 -54.52 7.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.016 0.526 . . . . 0.0 110.874 -179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.433 HD11 HD11 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -38.56 -57.91 1.1 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.116 1.766 . . . . 0.0 112.226 -177.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.3 t -54.61 -64.22 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.478 0.711 . . . . 0.0 112.33 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -69.03 -44.74 72.11 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.832 1.196 . . . . 0.0 114.066 -172.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -42.99 86.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -151.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' NE ' ' H ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -179.91 -153.53 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.911 1.685 . . . . 0.0 110.083 -175.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.435 ' H ' ' NE ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER 79.5 139.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 128.096 2.558 . . . . 0.0 111.781 169.107 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -135.44 -40.95 0.71 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.383 1.073 . . . . 0.0 112.211 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 t -95.27 146.8 24.09 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 176.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -34.82 -47.37 0.34 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.133 2.573 . . . . 0.0 111.565 161.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -62.83 -44.78 95.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.687 1.195 . . . . 0.0 112.338 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -65.89 -49.47 67.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.916 -0.49 . . . . 0.0 111.35 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.2 m -62.13 -40.85 89.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.401 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.705 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.65 -40.27 92.31 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.875 1.216 . . . . 0.0 112.094 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.17 -57.3 13.64 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.19 -0.944 . . . . 0.0 111.102 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -53.43 -57.4 10.79 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.235 1.414 . . . . 0.0 112.193 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 94' ' ' LEU . 82.5 mt -54.56 -53.1 34.29 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 C-N-CA 123.576 0.75 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.33 -40.94 92.42 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.07 -1.019 . . . . 0.0 111.967 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.5 m -58.19 -54.08 51.04 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.18 -0.95 . . . . 0.0 111.764 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -64.56 -32.6 74.32 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.372 -1.455 . . . . 0.0 112.235 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -67.03 -20.87 65.92 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 119.926 -1.734 . . . . 0.0 111.659 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.285 47.8 m -74.61 -44.26 51.51 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.242 -1.536 . . . . 0.0 112.756 164.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -59.07 3.41 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 118.612 0.642 . . . . 0.0 111.587 161.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -51.81 -48.47 63.86 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -57.96 -37.58 74.43 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 120.662 1.573 . . . . 0.0 112.878 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 56.9 mt -64.22 -49.08 73.37 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.178 0.899 . . . . 0.0 111.915 173.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.57 -25.31 67.24 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 119.956 -1.715 . . . . 0.0 113.48 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.6 1.66 54.56 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.176 -1.578 . . . . 0.0 113.263 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -106.16 -60.28 1.67 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.794 2.038 . . . . 0.0 110.89 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -36.17 147.48 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 128.264 2.626 . . . . 0.0 117.322 -166.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 90.72 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.893 2.077 . . . . 0.0 116.522 -169.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.33 107.92 8.91 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.512 -0.743 . . . . 0.0 110.24 150.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.96 27.64 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.911 1.685 . . . . 0.0 115.045 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? . . . . . 0 CA--C 1.544 0.723 0 C-N-CA 127.046 2.138 . . . . 0.0 113.872 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.8 t -123.11 -168.38 1.75 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.469 3.107 . . . . 0.0 110.97 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.9 -71.84 0.07 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -167.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.5 p -65.37 -50.73 64.44 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -170.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -64.8 -38.93 92.65 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.704 -1.247 . . . . 0.0 111.824 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.8 -43.92 93.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 O-C-N 120.926 -1.109 . . . . 0.0 111.455 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.19 92.01 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 122.238 1.018 . . . . 0.0 111.004 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.57 -33.13 55.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 O-C-N 120.736 -1.228 . . . . 0.0 112.067 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -38.42 68.87 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.102 -0.999 . . . . 0.0 112.457 166.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -70.91 -48.74 51.94 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.821 -0.55 . . . . 0.0 109.816 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.68 -41.96 61.79 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.907 -1.12 . . . . 0.0 111.774 173.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -53.84 -50.28 66.58 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 117.924 -1.036 . . . . 0.0 113.225 172.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -84.32 -30.87 25.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.807 1.639 . . . . 0.0 114.872 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -55.26 -30.42 60.05 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.071 -1.643 . . . . 0.0 111.354 156.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 44.3 m -82.42 -17.74 44.34 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.444 ' C ' HD12 ' B' ' 84' ' ' ILE . 1.1 m120 83.28 45.05 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 129.844 3.258 . . . . 0.0 112.447 174.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.444 HD12 ' C ' ' B' ' 83' ' ' ASN . 1.9 mp -122.49 109.83 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 127.746 2.418 . . . . 0.0 110.674 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -70.41 117.81 12.43 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.859 -1.151 . . . . 0.0 110.1 163.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -70.23 128.1 91.7 Favored Pre-proline 0 CA--C 1.541 0.609 0 O-C-N 121.116 -0.99 . . . . 0.0 110.764 166.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -56.54 129.52 35.16 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 121.801 1.667 . . . . 0.0 111.122 166.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 58.2 m -44.18 -39.68 4.53 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.646 1.578 . . . . 0.0 112.232 168.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.61 -24.74 34.86 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.398 1.479 . . . . 0.0 114.967 174.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 mm -68.51 -49.61 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 119.633 -1.917 . . . . 0.0 109.958 165.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.18 -35.05 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.472 1.109 . . . . 0.0 111.023 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.4 ' CD ' HH22 ' A' ' 85' ' ' ARG . 35.1 tt0 -39.81 -53.9 2.19 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.088 1.755 . . . . 0.0 112.587 164.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -63.41 1.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.086 1.755 . . . . 0.0 111.142 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -42.76 56.84 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.024 0.93 . . . . 0.0 113.434 -165.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.2 t -50.84 -40.74 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.794 0.838 . . . . 0.0 113.253 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -75.53 -45.06 40.35 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.549 0.613 . . . . 0.0 111.371 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.89 -39.59 89.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.822 1.249 . . . . 0.0 112.614 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.16 46.93 18.06 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 158.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.56 162.75 9.93 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.343 -0.848 . . . . 0.0 111.836 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -96.48 -47.52 5.93 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -169.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -92.36 150.04 21.07 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.985 1.266 . . . . 0.0 114.129 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -42.42 -46.95 4.89 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.167 2.587 . . . . 0.0 111.624 165.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.31 -46.08 86.83 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.496 -0.753 . . . . 0.0 111.607 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.29 -46.68 72.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.452 -0.78 . . . . 0.0 111.026 -175.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.48 -43.26 96.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.216 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.4 pp -65.66 -36.95 85.15 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.542 1.519 . . . . 0.0 111.926 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.86 -60.08 4.26 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.32 -0.863 . . . . 0.0 111.048 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -61.14 -50.98 71.01 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.982 -0.448 . . . . 0.0 111.677 -177.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -48.3 -49.36 12.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.484 0 O-C-N 121.122 -0.986 . . . . 0.0 111.928 171.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.22 -41.02 92.17 Favored 'General case' 0 CA--C 1.553 1.08 0 O-C-N 120.215 -1.553 . . . . 0.0 113.166 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 60.3 p -63.43 -48.36 78.08 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.28 -1.513 . . . . 0.0 112.758 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.1 -36.59 82.19 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.809 -1.182 . . . . 0.0 112.277 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -65.04 -20.44 66.49 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.327 2.251 . . . . 0.0 111.246 169.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.291 61.2 m -83.65 -41.62 17.57 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 119.047 -2.283 . . . . 0.0 114.148 168.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -45.43 -56.05 5.43 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.795 1.179 . . . . 0.0 110.747 158.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -58.89 -38.35 78.67 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -53.09 -49.65 66.01 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 119.934 -1.729 . . . . 0.0 112.12 166.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.84 -51.49 67.33 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.332 0.969 . . . . 0.0 112.247 175.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.04 -28.87 69.37 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.405 -1.434 . . . . 0.0 113.475 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.37 -22.92 58.97 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 119.343 -2.098 . . . . 0.0 113.245 169.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -94.36 -44.41 7.94 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.709 2.004 . . . . 0.0 113.493 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -40.36 136.45 1.26 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 128.65 30.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.515 1.126 . . . . 0.0 113.518 172.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 22.0 tp -110.35 125.28 53.03 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 148.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -70.96 -18.94 62.6 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 176.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 . . . . . 0 N--CA 1.467 0.411 0 C-N-CA 126.173 1.789 . . . . 0.0 113.241 170.498 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HB3' HG22 ' A' ' 73' ' ' VAL . 98.6 mt . . . . . 0 CA--C 1.543 0.679 0 CA-C-O 121.092 0.472 . . . . 0.0 110.821 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 73' ' ' VAL . 10.7 t -98.6 176.21 5.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.498 1.919 . . . . 0.0 112.537 170.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.26 -67.18 0.18 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -166.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.2 p -64.13 -49.78 70.83 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -173.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pm0 -63.51 -41.08 98.52 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.64 -1.288 . . . . 0.0 111.979 175.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 68' ' ' LEU . 85.3 t -54.71 -49.22 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 121.052 -1.03 . . . . 0.0 110.49 174.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.1 81.91 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.738 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.254 21.6 t -73.78 -36.61 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 O-C-N 121.245 -0.909 . . . . 0.0 112.363 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.8 -45.52 59.31 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.4 1.48 . . . . 0.0 113.345 165.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -66.06 -53.09 42.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.6 mt -51.64 -41.02 61.01 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.737 -0.602 . . . . 0.0 111.969 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -51.2 -52.56 43.25 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.163 1.347 . . . . 0.0 112.875 172.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -80.29 -30.25 38.27 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.37 -9.76 3.95 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.133 -1.604 . . . . 0.0 112.686 156.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.64 -2.34 23.53 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.936 1.695 . . . . 0.0 115.147 166.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 56.23 69.4 0.74 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.416 2.687 . . . . 0.0 113.796 -168.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.3 mt -141.54 112.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.019 1.728 . . . . 0.0 109.101 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -72.64 146.64 46.44 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 117.394 -1.722 . . . . 0.0 109.951 166.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.0 mm -99.14 127.29 35.26 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 124.563 1.145 . . . . 0.0 109.327 171.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -71.03 131.96 20.41 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.042 1.828 . . . . 0.0 109.973 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.9 m -32.45 -49.3 0.2 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.5 1.92 . . . . 0.0 114.714 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.82 -47.09 2.85 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.5 mm -54.34 -52.29 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 O-C-N 121.372 -0.83 . . . . 0.0 110.75 173.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.62 -50.65 79.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 110.261 -176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.86 -53.92 5.68 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.292 1.437 . . . . 0.0 112.358 171.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -65.75 -65.16 0.71 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 122.123 0.963 . . . . 0.0 110.075 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.46 -49.77 63.99 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.141 1.376 . . . . 0.0 113.398 -171.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.17 -41.19 41.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 121.553 -0.717 . . . . 0.0 111.632 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -51.56 47.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.984 1.714 . . . . 0.0 112.797 173.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -52.11 -39.52 59.96 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.718 0.807 . . . . 0.0 112.727 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 61.28 50.83 4.57 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 169.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.4 mt -68.3 160.58 29.11 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.973 170.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -84.56 -59.6 2.32 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.093 -1.005 . . . . 0.0 111.16 -162.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 p -111.42 166.09 11.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.62 -34.71 27.15 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.363 1.865 . . . . 0.0 111.766 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -60.91 -45.72 93.51 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.153 -0.967 . . . . 0.0 112.394 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -73.13 -43.35 61.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.129 -0.357 . . . . 0.0 110.609 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.46 -41.01 91.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.27 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.305 1.4 pp -63.78 -41.57 97.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.534 1.515 . . . . 0.0 111.648 175.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -53.69 -57.08 12.11 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.281 -1.512 . . . . 0.0 112.216 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -65.95 -52.75 46.96 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.923 -0.485 . . . . 0.0 112.083 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.81 -53.16 14.59 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 121.149 -0.969 . . . . 0.0 110.593 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -57.02 -37.47 71.76 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.452 -1.405 . . . . 0.0 112.23 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 m -60.38 -59.68 5.02 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.375 0.67 . . . . 0.0 112.001 170.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.16 -34.73 76.97 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.124 -0.985 . . . . 0.0 113.032 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -57.59 -46.75 83.63 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.226 -1.546 . . . . 0.0 110.163 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.263 66.0 m -60.71 -43.51 97.72 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.696 -1.252 . . . . 0.0 114.006 176.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -48.73 -58.44 4.77 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.523 0.601 . . . . 0.0 110.923 160.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -52.32 -43.64 64.65 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.27 18.6 pttm -59.16 -48.53 81.26 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 118.597 -1.241 . . . . 0.0 112.608 171.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.07 -42.96 99.79 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.655 1.116 . . . . 0.0 112.823 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -54.77 -47.94 73.27 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.55 -1.344 . . . . 0.0 111.485 173.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -71.6 -13.07 61.66 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.489 -1.382 . . . . 0.0 114.609 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -76.64 -34.25 58.31 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.058 1.343 . . . . 0.0 112.251 172.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -55.49 129.03 37.21 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 121.188 -0.945 . . . . 0.0 113.394 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 140.36 39.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.02 2.128 . . . . 0.0 114.267 174.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.648 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -105.56 135.15 47.49 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.919 0.888 . . . . 0.0 108.613 148.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -73.39 -0.24 14.21 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 174.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.605 ' HD2' HD13 ' B' ' 106' ' ' LEU . 24.7 mmt85 . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 125.963 1.705 . . . . 0.0 114.139 177.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 mp . . . . . 0 CA--C 1.549 0.911 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 17.9 t -79.73 -179.46 6.92 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.478 1.511 . . . . 0.0 111.586 165.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.92 -58.7 6.53 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -166.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.7 p -63.18 -50.63 69.58 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -172.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 pm0 -63.24 -37.48 87.39 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.693 -1.254 . . . . 0.0 111.798 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.13 -44.84 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.308 -0.87 . . . . 0.0 111.41 174.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.17 92.01 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 122.396 1.093 . . . . 0.0 111.212 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.6 HG12 ' CE2' ' B' ' 79' ' ' TYR 0.252 11.9 t -74.73 -28.65 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 120.707 -1.246 . . . . 0.0 112.25 -179.006 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -37.4 62.75 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.556 -1.34 . . . . 0.0 112.605 168.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -69.31 -52.54 26.33 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 72.3 mt -49.98 -42.67 49.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.703 -1.248 . . . . 0.0 111.935 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.648 ' CE1' HD12 ' A' ' 124' ' ' LEU . 25.7 m-85 -55.28 -57.5 11.54 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.627 -1.295 . . . . 0.0 113.391 172.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -77.71 -31.92 52.64 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 120.128 1.331 . . . . 0.0 113.69 -171.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -48.09 -45.59 32.83 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.949 1.357 . . . . 0.0 111.203 158.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.3 t -75.39 -5.78 46.65 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.326 1.05 . . . . 0.0 113.528 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 57.28 57.3 4.55 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.86 2.464 . . . . 0.0 112.648 -167.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 85.5 mt -115.98 100.85 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 124.243 1.017 . . . . 0.0 111.231 169.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.96 75.14 4.5 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.471 0.653 . . . . 0.0 109.963 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 30.4 mm -37.83 127.97 0.95 Allowed Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 126.008 1.723 . . . . 0.0 113.425 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -53.27 145.21 45.42 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.282 2.655 . . . . 0.0 112.707 168.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -51.38 -44.81 62.25 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.838 -0.539 . . . . 0.0 111.068 166.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -56.02 -41.92 75.67 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.031 1.333 . . . . 0.0 112.823 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 20.2 mm -54.38 -53.18 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 120.513 -1.367 . . . . 0.0 111.398 169.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.28 -47.98 90.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.715 0.806 . . . . 0.0 110.322 -176.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -47.38 -59.23 3.35 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.427 1.491 . . . . 0.0 112.059 170.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -54.79 -53.67 52.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.576 1.15 . . . . 0.0 110.547 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -51.17 69.13 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.315 -0.866 . . . . 0.0 112.919 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 67.2 t -56.28 -38.62 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.968 1.307 . . . . 0.0 111.877 174.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.57 -59.28 5.45 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.288 -0.882 . . . . 0.0 111.781 170.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -61.68 -64.59 0.89 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.811 -1.18 . . . . 0.0 112.266 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 69.94 84.19 0.15 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.552 2.341 . . . . 0.0 114.039 -172.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.51 164.56 23.81 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.813 0.845 . . . . 0.0 111.07 169.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -80.01 -61.57 1.95 Allowed 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.649 -1.282 . . . . 0.0 110.067 -162.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 20.3 p -105.72 166.08 10.71 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -173.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -48.63 -42.25 33.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.747 2.419 . . . . 0.0 111.846 171.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.91 -47.08 87.25 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.34 -0.85 . . . . 0.0 112.052 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.29 -44.77 78.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.528 -0.733 . . . . 0.0 111.312 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.1 m -65.76 -40.53 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.171 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.605 HD13 ' HD2' ' A' ' 126' ' ' ARG 0.283 1.3 pp -62.86 -36.76 84.35 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.405 1.457 . . . . 0.0 112.722 174.666 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . 0.55 ' N ' HD12 ' B' ' 106' ' ' LEU . 92.3 m-20 -59.78 -60.2 4.21 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.132 0.878 . . . . 0.0 111.601 173.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -59.02 -51.42 70.15 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.064 0.546 . . . . 0.0 111.557 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.1 mt -54.29 -54.26 22.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.359 -0.838 . . . . 0.0 111.494 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.2 -37.72 72.6 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.482 -1.386 . . . . 0.0 112.669 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.0 m -59.88 -57.63 12.05 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.735 -0.603 . . . . 0.0 111.629 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.76 -36.72 79.64 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.995 -1.065 . . . . 0.0 113.165 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -56.8 -45.76 82.02 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.046 -1.659 . . . . 0.0 110.988 167.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.281 99.6 m -61.32 -46.88 88.45 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.561 -1.337 . . . . 0.0 113.72 176.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -46.77 -60.48 2.38 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.379 0.536 . . . . 0.0 111.259 161.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -49.94 -44.87 50.77 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.294 18.8 pttm -61.08 -41.6 96.95 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.128 -1.608 . . . . 0.0 112.968 172.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.5 -47.2 84.91 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.71 1.141 . . . . 0.0 112.37 171.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -52.86 -48.33 67.15 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.48 -1.387 . . . . 0.0 111.879 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -76.72 -11.56 59.86 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -84.82 -43.25 14.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.373 1.869 . . . . 0.0 111.597 167.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -52.96 145.88 12.01 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -171.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 119.87 5.33 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 129.911 3.284 . . . . 0.0 113.614 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.1 tp -118.65 121.73 40.85 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 150.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.72 18.55 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.771 0 C-N-CA 126.839 2.055 . . . . 0.0 114.11 -173.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 CA--C 1.536 0.408 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.14 173.69 2.98 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.242 0.617 . . . . 0.0 111.113 167.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.41 72.88 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -165.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.0 p -61.4 -53.34 57.86 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.468 -0.77 . . . . 0.0 112.842 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -63.53 -38.43 91.09 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.163 -1.586 . . . . 0.0 112.834 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -44.81 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 O-C-N 120.912 -1.117 . . . . 0.0 111.356 176.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.83 87.56 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 122.032 0.92 . . . . 0.0 110.962 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.86 -27.7 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 121.234 -0.916 . . . . 0.0 111.584 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.43 -30.22 63.08 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.915 -1.115 . . . . 0.0 112.731 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.86 -50.85 72.47 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 166.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.29 -41.75 72.72 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.009 -1.057 . . . . 0.0 111.683 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.629 ' CE1' HD12 ' B' ' 124' ' ' LEU . 20.8 m-85 -51.85 -61.71 2.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.066 1.303 . . . . 0.0 113.353 169.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -72.55 -37.89 68.12 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.13 1.332 . . . . 0.0 112.401 -171.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.12 -33.11 70.48 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.504 -1.373 . . . . 0.0 112.222 167.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 p -75.96 -15.69 60.12 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.02 -1.675 . . . . 0.0 113.798 169.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 66.15 59.09 0.69 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 129.401 3.081 . . . . 0.0 113.23 -167.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.8 mt -119.13 118.5 57.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 125.885 1.674 . . . . 0.0 109.878 164.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.7 ttp85 -80.18 150.16 30.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.849 0.833 . . . . 0.0 110.723 165.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.0 mm -109.44 129.05 24.36 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.096 1.758 . . . . 0.0 109.937 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.55 138.12 73.64 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.465 2.11 . . . . 0.0 111.114 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.7 m -50.73 -34.46 27.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.167 0.987 . . . . 0.0 112.666 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.8 -44.95 63.69 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.209 -0.932 . . . . 0.0 113.495 172.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 mm -55.87 -48.91 77.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 O-C-N 120.88 -1.137 . . . . 0.0 110.109 173.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.37 -46.46 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -175.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -45.93 -58.93 3.14 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.576 1.15 . . . . 0.0 112.413 169.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -63.38 -59.49 4.62 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.685 0.755 . . . . 0.0 109.993 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -43.59 66.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.217 1.007 . . . . 0.0 112.955 -175.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.2 t -48.63 -49.37 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 O-C-N 120.992 -1.068 . . . . 0.0 111.766 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -64.28 -50.8 66.49 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.911 1.285 . . . . 0.0 112.693 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -72.74 72.76 1.07 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 127.216 2.206 . . . . 0.0 109.675 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -70.2 72.42 0.45 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -170.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.21 163.69 12.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.502 1.921 . . . . 0.0 110.733 164.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -88.47 -65.46 1.02 Allowed 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.474 -0.766 . . . . 0.0 111.267 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.7 p -104.16 162.88 12.8 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -165.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.64 -42.26 11.19 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.996 2.118 . . . . 0.0 110.916 169.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -60.37 -46.26 90.59 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 121.297 -0.877 . . . . 0.0 111.994 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -68.09 -48.61 65.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.734 -0.604 . . . . 0.0 111.393 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 m -64.32 -38.09 81.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.8 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.256 1.2 pp -65.19 -36.97 85.85 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 118.218 -1.393 . . . . 0.0 111.852 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.53 -58.66 7.65 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 120.805 -1.184 . . . . 0.0 111.424 174.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -61.15 -51.69 68.0 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.214 0.605 . . . . 0.0 111.651 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.1 mt -53.3 -55.43 12.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 O-C-N 121.465 -0.772 . . . . 0.0 110.938 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.19 -34.79 64.19 Favored 'General case' 0 CA--C 1.554 1.113 0 O-C-N 120.968 -1.083 . . . . 0.0 112.035 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.9 m -65.61 -59.23 4.16 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.742 0.817 . . . . 0.0 113.173 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.09 -37.36 79.73 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.57 -1.331 . . . . 0.0 112.173 178.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 63.3 ttt-85 -57.06 -34.87 68.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.251 -1.531 . . . . 0.0 111.426 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.275 88.9 m -72.25 -35.83 68.91 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 119.988 -1.695 . . . . 0.0 114.337 169.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.02 -59.02 4.29 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.93 1.241 . . . . 0.0 110.67 159.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -52.95 -41.82 64.88 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -56.36 -55.02 38.65 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.734 -1.229 . . . . 0.0 112.17 173.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.26 -34.62 78.42 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.37 -63.64 1.1 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.689 -1.257 . . . . 0.0 110.32 168.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -62.04 -10.8 10.96 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -68.66 -44.48 74.01 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.137 1.375 . . . . 0.0 112.186 165.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -62.24 135.51 57.51 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.028 0.931 . . . . 0.0 111.998 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -112.03 129.8 56.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.024 1.73 . . . . 0.0 111.527 -171.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.65 101.5 5.0 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.969 -1.082 . . . . 0.0 109.595 170.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -75.75 43.51 0.26 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.234 1.413 . . . . 0.0 112.195 -176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? . . . . . 0 CA--C 1.543 0.677 0 C-N-CA 127.162 2.185 . . . . 0.0 115.814 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 8.5 mp . . . . . 0 CA--C 1.547 0.855 0 CA-C-O 122.272 1.034 . . . . 0.0 112.996 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.3 p -80.5 -179.95 7.43 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.203 -0.935 . . . . 0.0 112.374 166.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.39 -55.73 17.0 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -167.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -65.34 -50.92 63.77 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.428 -0.795 . . . . 0.0 113.072 -173.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -62.67 -38.02 88.71 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.864 1.211 . . . . 0.0 112.07 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.7 -48.77 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 121.295 -0.878 . . . . 0.0 111.47 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.29 -42.18 81.25 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 122.312 1.053 . . . . 0.0 111.403 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.574 HG12 ' CE2' ' B' ' 79' ' ' TYR . 13.4 t -73.58 -35.64 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 O-C-N 121.509 -0.744 . . . . 0.0 112.083 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.12 -34.96 72.65 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 172.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.04 -61.65 2.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 27.7 mt -55.95 -31.47 62.97 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.574 ' CE2' HG12 ' B' ' 75' ' ' VAL . 12.8 m-85 -56.29 -57.08 13.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.459 1.027 . . . . 0.0 111.769 168.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.34 -28.09 61.87 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.997 0.817 . . . . 0.0 112.659 -176.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -58.49 -37.79 76.28 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.401 -1.437 . . . . 0.0 111.434 161.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 38.2 m -77.99 4.57 11.85 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.785 -1.197 . . . . 0.0 113.361 168.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m120 48.17 55.59 8.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.886 2.074 . . . . 0.0 112.295 -170.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 42.3 mt -118.46 98.88 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.202 1.801 . . . . 0.0 111.404 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.03 114.46 9.11 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.72 -0.612 . . . . 0.0 109.782 176.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 47.0 mm -78.94 122.37 84.48 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 120.889 -1.132 . . . . 0.0 111.079 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.94 141.5 66.97 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.081 2.521 . . . . 0.0 112.13 170.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -48.45 -48.63 37.37 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.046 0.938 . . . . 0.0 112.48 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.11 -49.89 6.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.956 1.302 . . . . 0.0 113.888 171.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.11 -47.53 83.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 O-C-N 120.756 -1.215 . . . . 0.0 110.684 174.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 31.4 mt -59.93 -44.91 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 121.49 -0.756 . . . . 0.0 110.599 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -54.36 -60.59 3.14 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.025 1.33 . . . . 0.0 112.352 173.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -53.85 -53.22 55.52 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.415 1.486 . . . . 0.0 110.411 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -45.64 92.45 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.96 -1.087 . . . . 0.0 112.479 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.82 -30.64 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 O-C-N 120.677 -1.265 . . . . 0.0 112.6 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.33 -52.61 38.2 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.999 -1.063 . . . . 0.0 113.096 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -71.99 -38.92 69.58 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.248 -0.907 . . . . 0.0 113.073 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 27.31 84.7 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.848 2.859 . . . . 0.0 113.567 -170.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 mt -72.22 168.82 17.46 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.325 1.05 . . . . 0.0 110.773 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.07 -65.92 0.89 Allowed 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.808 -1.183 . . . . 0.0 110.177 -170.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.3 t -84.86 152.16 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -42.45 -41.79 3.04 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.8 0.81 . . . . 0.0 112.152 158.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -59.58 -45.88 90.57 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.295 -0.878 . . . . 0.0 111.583 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.38 -48.38 67.56 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.523 -0.735 . . . . 0.0 110.817 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 10.8 m -64.37 -39.27 84.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.967 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.2 pp -66.79 -39.63 87.85 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.131 1.332 . . . . 0.0 111.889 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -57.5 -57.83 10.98 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.735 0.698 . . . . 0.0 110.868 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -59.85 -52.32 65.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.493 0.717 . . . . 0.0 111.846 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.9 mt -53.52 -54.18 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 121.285 -0.885 . . . . 0.0 110.97 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.52 -37.39 70.39 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.671 -1.268 . . . . 0.0 112.019 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 55.4 m -62.15 -56.49 18.23 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.545 -0.722 . . . . 0.0 112.434 172.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.97 -34.92 78.53 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.822 -1.174 . . . . 0.0 112.771 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -59.51 -41.73 90.58 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.655 -1.903 . . . . 0.0 111.238 166.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.279 99.9 m -60.13 -44.08 95.2 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.367 -1.458 . . . . 0.0 114.144 171.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -48.63 -54.45 14.6 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.899 0.772 . . . . 0.0 111.137 162.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -53.68 -49.67 67.51 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.301 18.5 pttm -56.19 -36.47 68.43 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 121.207 1.822 . . . . 0.0 113.357 174.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.41 -49.87 67.61 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.455 1.025 . . . . 0.0 112.611 172.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -52.37 -40.62 62.25 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.152 -1.592 . . . . 0.0 112.535 171.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.13 -11.83 60.42 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.834 1.254 . . . . 0.0 113.237 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -94.28 -49.33 5.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.64 1.976 . . . . 0.0 111.794 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -40.35 145.76 0.16 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 -170.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 115.78 1.9 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.462 2.305 . . . . 0.0 114.34 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.629 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -104.51 128.39 52.43 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.106 0.866 . . . . 0.0 109.239 148.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -2.21 18.15 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.787 1.235 . . . . 0.0 113.877 172.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.479 ' H ' HD22 ' B' ' 124' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 126.652 1.981 . . . . 0.0 114.606 178.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 mp . . . . . 0 CA--C 1.541 0.623 0 CA-C-O 122.443 1.116 . . . . 0.0 113.408 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -83.38 176.97 8.7 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.857 0.863 . . . . 0.0 112.467 166.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.82 -57.06 3.46 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.955 1.302 . . . . 0.0 114.328 -171.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.6 p -57.61 -61.92 2.16 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 pm0 -63.11 -30.84 71.91 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.365 -1.459 . . . . 0.0 112.778 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.42 -46.86 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 121.02 -1.05 . . . . 0.0 111.43 172.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.0 86.17 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 123.09 1.424 . . . . 0.0 111.394 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.677 HG21 HG23 ' A' ' 105' ' ' VAL . 4.2 t -67.11 -36.35 76.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 119.839 -1.788 . . . . 0.0 112.017 173.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.56 -30.36 67.08 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 167.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -47.07 71.93 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.675 -0.641 . . . . 0.0 110.095 176.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.549 ' HB3' HD11 ' B' ' 124' ' ' LEU . 10.1 mt -63.6 -38.16 90.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.539 -0.725 . . . . 0.0 110.373 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.697 ' CE1' HD12 ' B' ' 124' ' ' LEU . 13.7 m-85 -57.07 -59.12 5.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.096 -0.954 . . . . 0.0 113.568 171.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -69.42 -28.54 66.22 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 120.585 1.539 . . . . 0.0 112.416 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.01 -45.76 68.08 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.868 -1.145 . . . . 0.0 111.385 162.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 p -81.51 5.28 18.36 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 173.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 35.65 65.72 0.39 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.747 2.019 . . . . 0.0 114.355 -159.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.63 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 11.3 mt -110.45 107.2 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 120.635 -1.291 . . . . 0.0 112.295 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -82.45 140.01 33.65 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.766 -1.209 . . . . 0.0 110.996 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.5 mm -108.51 123.52 37.09 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.733 1.213 . . . . 0.0 110.683 -173.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.51 146.15 54.34 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.771 2.314 . . . . 0.0 112.087 169.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.9 p -53.77 -54.25 40.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.003 0.82 . . . . 0.0 112.085 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -32.63 -54.5 0.35 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.447 1.899 . . . . 0.0 114.211 172.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 43.1 mm -49.47 -55.93 3.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 O-C-N 121.514 -0.741 . . . . 0.0 110.49 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.88 -46.63 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 O-C-N 121.428 -0.795 . . . . 0.0 111.861 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -48.21 -54.67 12.69 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.735 2.014 . . . . 0.0 111.801 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.52 -58.08 6.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.482 -0.761 . . . . 0.0 111.192 170.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 108' ' ' TYR . 1.2 tm? -59.53 -41.34 89.78 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -163.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.7 t -46.97 -47.99 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.22 -0.925 . . . . 0.0 112.802 166.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -46.29 82.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.144 0.978 . . . . 0.0 111.673 174.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -60.6 -44.52 96.18 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.344 -0.848 . . . . 0.0 113.114 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 39.55 71.08 0.19 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.677 1.591 . . . . 0.0 111.947 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.53 166.06 7.19 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.396 -0.815 . . . . 0.0 112.005 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -81.46 -13.6 58.0 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -154.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -146.06 166.14 26.99 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.614 1.197 . . . . 0.0 113.202 169.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.09 -51.12 45.37 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.755 1.622 . . . . 0.0 111.182 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -57.26 -40.41 77.6 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.481 1.112 . . . . 0.0 111.794 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.95 -48.08 75.33 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.223 -0.923 . . . . 0.0 111.878 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.677 HG23 HG21 ' A' ' 75' ' ' VAL 0.278 23.2 m -62.36 -39.61 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.135 178.253 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.371 3.7 pp -66.43 -35.25 79.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 118.221 -1.391 . . . . 0.0 113.861 174.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -59.61 -57.02 14.75 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.955 -1.091 . . . . 0.0 111.597 172.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.435 ' CD2' HD23 ' A' ' 94' ' ' LEU . 88.7 t80 -54.53 -55.59 27.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.044 0.937 . . . . 0.0 111.781 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.4 mt -57.28 -51.81 64.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.196 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -49.05 -46.74 44.83 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.715 1.598 . . . . 0.0 111.776 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -57.86 -54.06 51.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.676 -0.64 . . . . 0.0 111.967 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -63.49 -34.86 78.7 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.035 -1.041 . . . . 0.0 113.556 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.63 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 40.5 mtp180 -54.63 -40.66 69.17 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 119.838 -1.789 . . . . 0.0 110.661 166.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.273 51.0 m -67.14 -36.65 82.31 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 171.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -51.11 -54.03 28.78 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 120.448 1.476 . . . . 0.0 111.287 163.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -56.57 -42.36 78.49 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.852 -1.155 . . . . 0.0 113.239 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -50.03 -49.21 51.75 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.615 -1.303 . . . . 0.0 110.651 170.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.89 -49.92 75.82 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 173.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -50.85 -38.5 49.44 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.329 -1.482 . . . . 0.0 112.424 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -75.97 -10.9 59.8 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.231 1.412 . . . . 0.0 113.444 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -103.19 -38.82 7.11 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.462 2.305 . . . . 0.0 112.528 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -43.89 148.52 0.38 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.955 1.302 . . . . 0.0 114.415 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 127.24 32.28 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.087 1.355 . . . . 0.0 113.908 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.5 tp -96.25 115.54 27.59 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.349 0.977 . . . . 0.0 108.455 149.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.39 31.78 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.492 ' NE ' HD13 ' B' ' 106' ' ' LEU . 13.0 mmp_? . . . . . 0 CA--C 1.541 0.615 0 C-N-CA 127.216 2.206 . . . . 0.0 115.63 -179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.8 t -88.17 -172.04 3.63 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.787 1.235 . . . . 0.0 112.545 163.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.33 -66.59 0.36 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -165.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 2.9 p -57.61 -49.61 75.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -64.7 -39.67 94.05 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.267 -0.896 . . . . 0.0 111.784 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.13 -47.82 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 120.915 -1.116 . . . . 0.0 111.42 172.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.97 74.03 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.255 1.026 . . . . 0.0 111.605 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.23 -38.0 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 121.651 -0.655 . . . . 0.0 112.732 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.31 -43.75 67.84 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.888 -1.132 . . . . 0.0 112.946 164.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.57 -50.17 68.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -48.1 -46.74 34.32 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.204 -0.935 . . . . 0.0 112.887 172.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.477 ' CE2' HG21 ' B' ' 109' ' ' ILE . 21.2 m-85 -49.33 -52.55 27.28 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.624 -1.298 . . . . 0.0 112.554 172.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.278 5.6 mm-40 -76.69 -26.37 54.68 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -53.28 -37.01 61.79 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.852 -1.78 . . . . 0.0 110.636 158.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 -1.55 54.56 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 172.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 42.69 77.42 0.06 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.396 2.678 . . . . 0.0 115.469 -157.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 23.7 mt -131.66 115.43 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 125.813 1.645 . . . . 0.0 110.417 170.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -75.2 144.64 42.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 119.011 -1.075 . . . . 0.0 111.229 164.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.41 126.65 28.46 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 125.651 1.58 . . . . 0.0 109.106 172.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -55.18 126.41 22.45 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.44 2.094 . . . . 0.0 112.249 169.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -31.98 -60.28 0.26 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.766 2.026 . . . . 0.0 113.806 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -29.72 -61.28 0.15 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.523 1.929 . . . . 0.0 114.783 172.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 pt -70.25 -29.29 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 120.894 -1.129 . . . . 0.0 113.529 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 20.5 mt -58.05 -46.84 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 119.827 1.194 . . . . 0.0 109.786 167.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.87 -58.98 5.76 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.095 0.558 . . . . 0.0 110.913 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.1 -48.03 64.97 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.09 -1.006 . . . . 0.0 110.752 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -50.0 72.57 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.72 -0.612 . . . . 0.0 111.712 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 46.0 t -53.62 -43.08 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.559 0.744 . . . . 0.0 112.231 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -59.46 -66.27 0.54 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.746 0.703 . . . . 0.0 111.543 171.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -86.0 51.4 2.2 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.041 -1.037 . . . . 0.0 112.494 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -70.2 132.85 46.4 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 120.993 -1.067 . . . . 0.0 113.056 -172.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 30.1 mt -87.71 -173.64 4.41 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.261 1.424 . . . . 0.0 111.809 -174.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.81 -44.48 15.46 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.659 -1.276 . . . . 0.0 112.533 -170.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -144.79 164.58 30.6 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -37.13 -47.39 0.76 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.883 2.473 . . . . 0.0 113.65 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -59.29 -46.93 87.22 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.423 -0.798 . . . . 0.0 112.053 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.63 -47.19 73.38 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.082 0.553 . . . . 0.0 110.644 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.78 -38.35 82.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.19 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . 0.492 HD13 ' NE ' ' A' ' 126' ' ' ARG 0.27 0.9 OUTLIER -67.06 -35.43 79.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.567 1.53 . . . . 0.0 112.72 174.826 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . 0.406 ' N ' HD12 ' B' ' 106' ' ' LEU . 86.5 m-20 -60.77 -56.62 19.1 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 122.488 1.137 . . . . 0.0 110.656 173.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -62.72 -47.24 84.43 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.769 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' B' ' 79' ' ' TYR . 90.3 mt -56.22 -48.07 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 O-C-N 120.959 -1.088 . . . . 0.0 112.343 176.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -53.56 -38.84 64.24 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.516 -1.365 . . . . 0.0 111.721 173.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 8.0 m -62.67 -56.53 16.84 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.402 -0.811 . . . . 0.0 112.768 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -50.44 -52.61 36.36 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.004 1.721 . . . . 0.0 112.964 175.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -64.87 -21.36 66.79 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 119.297 -2.127 . . . . 0.0 111.909 174.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.333 95.0 m -71.36 -38.26 71.59 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 119.846 -1.784 . . . . 0.0 114.194 164.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -51.14 -62.23 1.74 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.798 1.181 . . . . 0.0 111.329 159.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -56.46 -35.23 67.69 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.011 -1.055 . . . . 0.0 113.661 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -56.5 -51.71 67.49 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.645 -1.285 . . . . 0.0 111.684 171.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.57 -41.88 92.43 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.801 0.81 . . . . 0.0 112.278 177.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -51.13 -51.36 54.25 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.187 -1.571 . . . . 0.0 111.006 170.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -77.93 10.68 2.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.128 1.771 . . . . 0.0 113.811 174.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -97.51 -33.55 11.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.15 1.78 . . . . 0.0 111.342 166.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -53.19 129.69 32.1 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 118.561 0.619 . . . . 0.0 110.774 167.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -116.92 132.97 56.57 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.258 1.823 . . . . 0.0 111.182 -168.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.697 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -80.03 98.73 7.34 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.017 -1.052 . . . . 0.0 109.66 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -72.22 7.26 1.79 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.212 -1.555 . . . . 0.0 113.94 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 126.235 1.814 . . . . 0.0 113.468 172.618 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 CA--C 1.538 0.484 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.8 m -66.22 165.68 13.37 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.156 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.22 -56.52 1.19 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -174.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.22 -55.99 27.83 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -66.95 -36.55 82.47 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 119.632 -1.917 . . . . 0.0 112.798 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -35.98 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 O-C-N 120.45 -1.406 . . . . 0.0 111.816 174.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.6 -35.98 62.98 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.354 1.062 . . . . 0.0 112.171 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.449 HG21 HG23 ' A' ' 105' ' ' VAL . 0.3 OUTLIER -63.93 -40.48 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 118.958 -2.339 . . . . 0.0 110.066 172.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.1 mt -52.62 -23.29 6.24 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 168.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -41.73 39.84 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.795 -1.191 . . . . 0.0 110.677 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.1 mt -53.24 -41.69 65.68 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 119.879 -1.763 . . . . 0.0 110.372 169.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.423 ' CD1' HD11 ' A' ' 86' ' ' ILE . 62.5 m-85 -57.86 -60.24 4.01 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.177 -0.952 . . . . 0.0 112.952 172.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -85.53 -27.56 25.5 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -54.53 -20.29 7.54 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 119.863 -1.773 . . . . 0.0 111.76 158.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.46 -4.27 25.66 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.382 -1.449 . . . . 0.0 113.607 171.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 39.49 67.95 0.41 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.77 2.028 . . . . 0.0 115.234 -158.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.9 mt -99.44 117.44 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.39 0.676 . . . . 0.0 111.224 150.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -66.57 136.92 56.33 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 164.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 79' ' ' TYR . 18.0 mm -105.94 125.62 32.7 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.839 1.255 . . . . 0.0 110.182 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.34 131.48 45.06 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.975 1.783 . . . . 0.0 110.996 172.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.7 m -43.95 -42.13 5.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.182 1.393 . . . . 0.0 112.176 173.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.04 -45.88 52.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 172.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 mm -52.26 -48.68 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 121.023 -1.048 . . . . 0.0 110.017 171.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.2 mt -66.09 -43.98 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 121.989 -0.444 . . . . 0.0 110.355 -174.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -54.75 -52.76 61.52 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.637 0.653 . . . . 0.0 111.991 171.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -59.14 -47.86 83.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.439 1.096 . . . . 0.0 111.146 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -63.01 -40.59 98.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 120.258 -1.526 . . . . 0.0 112.125 177.08 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.69 24.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 124.243 1.017 . . . . 0.0 111.912 167.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -125.29 -53.85 1.6 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.693 2.397 . . . . 0.0 110.211 159.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -78.65 62.41 3.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.612 1.165 . . . . 0.0 109.615 173.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -73.78 81.98 1.61 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -166.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.09 170.97 3.21 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.516 1.527 . . . . 0.0 112.597 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -87.22 -64.15 1.19 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.22 -0.925 . . . . 0.0 111.944 -171.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.6 p -105.26 159.67 15.7 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -168.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -45.78 -40.91 10.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.228 1.011 . . . . 0.0 113.358 172.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -48.33 82.04 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.857 0.837 . . . . 0.0 110.891 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.14 -50.26 72.58 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.064 -1.023 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.449 HG23 HG21 ' A' ' 75' ' ' VAL . 18.4 m -61.6 -39.5 83.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 119.984 -0.687 . . . . 0.0 110.562 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 107' ' ' ASN 0.302 1.3 pp -64.63 -37.01 86.11 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.548 -1.345 . . . . 0.0 113.438 174.738 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.466 ' N ' HD12 ' A' ' 106' ' ' LEU . 68.9 m-80 -58.33 -55.03 40.32 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.777 1.171 . . . . 0.0 110.569 173.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -57.81 -50.49 73.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.847 0.859 . . . . 0.0 112.341 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.92 -50.95 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.306 -0.872 . . . . 0.0 111.224 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.67 70.15 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.42 -1.425 . . . . 0.0 112.451 177.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.3 m -62.09 -61.15 2.68 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 112.263 172.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.22 -34.51 73.75 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.777 -1.202 . . . . 0.0 112.922 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -59.41 -42.29 91.47 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 119.903 -1.748 . . . . 0.0 111.59 168.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.293 85.5 m -60.07 -44.44 94.74 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.558 -1.339 . . . . 0.0 113.252 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -48.73 -60.48 2.69 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 118.99 -0.528 . . . . 0.0 111.558 160.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -51.18 -43.61 61.35 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.257 18.3 pttm -59.66 -45.97 90.43 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.217 -1.552 . . . . 0.0 112.614 172.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.45 -41.34 98.67 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.485 1.039 . . . . 0.0 112.316 175.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -53.92 -47.94 70.69 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.301 -1.499 . . . . 0.0 111.259 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -76.24 0.36 19.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -93.1 -32.19 14.53 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.17 1.788 . . . . 0.0 112.009 171.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -52.92 137.17 33.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.81 134.8 56.59 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 128.526 2.73 . . . . 0.0 115.464 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.62 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -114.97 111.93 21.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.112 0.965 . . . . 0.0 109.525 157.223 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -60.49 -46.07 91.44 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -177.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 . . . . . 0 N--CA 1.471 0.624 0 C-N-CA 125.771 1.628 . . . . 0.0 113.679 -174.129 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 CA--C 1.54 0.561 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 42.0 p -93.59 -177.09 4.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.012 1.725 . . . . 0.0 111.015 168.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.05 -66.05 0.32 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -170.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.1 p -59.21 -51.69 68.91 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.65 -51.68 62.38 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.71 1.141 . . . . 0.0 111.528 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 74.4 t -58.24 -39.96 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.624 0.769 . . . . 0.0 111.886 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.77 96.04 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.927 0.87 . . . . 0.0 111.553 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.573 HG12 ' CE2' ' B' ' 79' ' ' TYR . 5.4 t -79.46 -33.35 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 O-C-N 120.984 -1.072 . . . . 0.0 112.441 -177.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.47 -41.88 3.09 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.12 1.368 . . . . 0.0 113.083 161.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.94 -50.32 35.9 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.867 -0.521 . . . . 0.0 110.301 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 95.2 mt -49.82 -37.72 31.67 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.902 -1.124 . . . . 0.0 111.76 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.62 ' CE1' HD12 ' A' ' 124' ' ' LEU . 43.5 m-85 -57.84 -60.71 3.28 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 120.555 -1.341 . . . . 0.0 113.078 169.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -81.91 -35.52 29.07 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 121.534 1.97 . . . . 0.0 114.356 -170.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -59.59 -21.88 60.98 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.221 -1.549 . . . . 0.0 112.301 163.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 18.3 t -75.66 -51.3 13.1 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 119.809 -1.807 . . . . 0.0 112.576 160.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 129.2 31.74 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.769 1 C-N-CA 132.097 4.159 . . . . 0.0 114.147 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.76 117.64 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.213 1.805 . . . . 0.0 113.573 -176.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -79.33 118.03 20.87 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.722 0.773 . . . . 0.0 110.972 168.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.89 110.89 36.35 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.682 1.593 . . . . 0.0 110.043 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -65.5 149.15 88.04 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 121.091 1.194 . . . . 0.0 110.913 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 76.0 p -59.72 -32.94 71.01 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -168.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.39 -46.92 26.42 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.818 0.847 . . . . 0.0 113.119 167.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.94 -49.57 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 O-C-N 120.93 -1.106 . . . . 0.0 109.806 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.2 mt -61.83 -40.63 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.893 0.877 . . . . 0.0 110.209 -174.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.25 -69.95 0.14 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.661 0.785 . . . . 0.0 111.923 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.47 -35.74 60.89 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.418 1.487 . . . . 0.0 111.046 -173.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -67.46 0.43 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.171 1.388 . . . . 0.0 111.602 170.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.17 -30.43 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 O-C-N 121.013 -1.055 . . . . 0.0 113.677 -160.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 33.0 p30 -56.24 -42.79 77.9 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.34 -8.09 54.38 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 173.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 58.51 71.49 0.58 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 168.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.57 164.27 23.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.004 0.922 . . . . 0.0 111.914 167.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -114.3 -38.53 4.07 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -170.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 34.1 t -107.51 145.06 33.61 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -43.16 -40.01 3.1 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.924 1.69 . . . . 0.0 111.969 164.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.01 -46.54 87.17 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.063 -1.023 . . . . 0.0 112.403 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.33 -44.72 90.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.213 -0.929 . . . . 0.0 110.897 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 m -66.43 -42.75 90.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.076 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.267 2.9 pp -62.66 -38.98 92.45 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.501 1.5 . . . . 0.0 112.386 176.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -62.29 -58.02 9.25 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.861 0.838 . . . . 0.0 110.867 176.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -53.9 -56.12 20.66 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.056 0.942 . . . . 0.0 111.332 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.401 HD13 ' CE2' ' B' ' 79' ' ' TYR . 85.2 mt -53.81 -53.94 23.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 C-N-CA 123.333 0.653 . . . . 0.0 110.707 -178.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.49 -37.54 73.12 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.722 -1.236 . . . . 0.0 112.559 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.5 m -60.53 -57.74 11.45 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.431 -0.793 . . . . 0.0 111.947 170.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -56.49 -39.87 74.0 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.142 1.777 . . . . 0.0 112.679 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -55.85 -42.18 75.42 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 119.895 -1.753 . . . . 0.0 111.31 167.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.4 m -71.4 -43.64 66.42 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.269 -1.519 . . . . 0.0 113.975 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -47.05 -52.57 14.71 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.704 0.684 . . . . 0.0 111.117 160.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -57.71 -39.0 76.21 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -54.73 -52.47 62.4 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.844 -1.16 . . . . 0.0 110.607 168.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.4 mt -55.68 -50.54 69.99 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -52.52 -45.41 66.27 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.052 -1.655 . . . . 0.0 112.448 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -72.62 -14.91 61.71 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 119.91 -1.744 . . . . 0.0 114.517 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -85.18 -35.08 21.91 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.461 1.905 . . . . 0.0 112.124 171.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -48.39 129.27 15.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.9 0.88 . . . . 0.0 112.923 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.23 150.53 0.13 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.719 2.008 . . . . 0.0 114.08 167.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.4 tt -134.17 117.76 16.89 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 153.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -69.45 15.12 0.08 Allowed 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -176.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? . . . . . 0 CA--C 1.543 0.702 0 C-N-CA 126.694 1.998 . . . . 0.0 116.179 175.333 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mt . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 p -82.49 -179.27 7.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.243 1.017 . . . . 0.0 111.001 168.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.7 29.7 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -160.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.7 p -59.7 -55.0 39.87 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.041 -1.037 . . . . 0.0 113.546 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 pm0 -65.24 -37.58 87.69 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.483 -1.385 . . . . 0.0 112.122 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -42.84 97.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.168 -0.957 . . . . 0.0 111.515 174.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.05 93.47 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.071 0.939 . . . . 0.0 112.28 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.61 -30.08 47.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 120.964 -1.085 . . . . 0.0 111.011 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.421 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 8.2 tp -75.2 -30.22 60.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.791 1.236 . . . . 0.0 112.417 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.02 -48.63 78.03 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.128 -0.983 . . . . 0.0 109.023 164.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HB3' HD21 ' B' ' 124' ' ' LEU . 1.2 mt -58.34 -38.17 76.61 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.714 -1.241 . . . . 0.0 113.167 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.725 ' CE1' HD12 ' B' ' 124' ' ' LEU . 19.4 m-85 -53.82 -46.78 71.25 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.106 -1.621 . . . . 0.0 113.13 167.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.47 -38.76 62.83 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 120.071 1.305 . . . . 0.0 112.858 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -48.31 -42.89 32.32 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.021 -1.049 . . . . 0.0 110.881 162.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.456 ' OG ' HD23 ' B' ' 124' ' ' LEU . 70.8 m -76.99 -13.45 59.96 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 54.69 76.89 0.22 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.943 2.097 . . . . 0.0 112.243 -162.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.7 mt -133.99 142.25 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.893 1.677 . . . . 0.0 111.472 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.408 ' H ' ' CD ' ' B' ' 119' ' ' GLU . 45.0 ttt180 -108.71 130.91 55.36 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.146 1.779 . . . . 0.0 110.751 169.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.8 mm -103.21 116.23 62.62 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 124.596 1.158 . . . . 0.0 111.214 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -48.06 127.83 15.64 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.328 2.685 . . . . 0.0 112.977 168.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.7 p -39.81 -51.22 2.41 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.133 2.173 . . . . 0.0 113.408 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -38.36 -57.62 1.1 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.82 1.648 . . . . 0.0 113.911 175.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.5 pt -69.46 -29.37 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 120.784 -1.198 . . . . 0.0 113.488 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.79 -45.43 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 O-C-N 120.913 -1.117 . . . . 0.0 110.252 168.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.62 -64.64 0.77 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.271 1.028 . . . . 0.0 110.715 175.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -51.98 -49.82 62.5 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 122.349 1.071 . . . . 0.0 110.759 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -52.42 53.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.874 175.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.37 -38.0 72.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 118.34 -0.838 . . . . 0.0 112.847 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -58.71 -55.12 39.18 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.732 1.151 . . . . 0.0 112.083 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -62.96 -38.34 90.72 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.389 -0.82 . . . . 0.0 112.162 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.24 53.61 2.2 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.566 1.146 . . . . 0.0 113.687 167.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.79 179.52 0.49 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.564 1.146 . . . . 0.0 112.064 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -121.38 -33.72 3.6 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -170.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.4 t -100.55 145.89 27.77 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.099 -1.001 . . . . 0.0 113.09 -176.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -47.53 -42.28 23.01 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.29 -0.881 . . . . 0.0 112.53 166.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -63.05 -37.61 87.88 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.93 -1.106 . . . . 0.0 113.089 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -67.58 -55.6 12.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.061 -0.4 . . . . 0.0 110.685 176.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.29 -37.33 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.063 -174.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.544 HD13 ' HD3' ' B' ' 126' ' ' ARG . 1.1 pp -65.61 -38.34 89.16 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 120.596 -1.315 . . . . 0.0 112.186 174.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.267 2.5 p30 -73.42 -45.55 53.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 117.897 -1.521 . . . . 0.0 111.315 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -56.8 -58.03 9.89 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 122.993 0.517 . . . . 0.0 111.501 172.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 71.3 mt -50.92 -56.51 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 O-C-N 121.477 -0.764 . . . . 0.0 110.839 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -29.69 70.3 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.092 -1.005 . . . . 0.0 112.47 -176.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.1 m -63.17 -55.29 26.37 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.131 -0.981 . . . . 0.0 112.468 168.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -64.05 -35.29 80.25 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.528 -1.357 . . . . 0.0 110.9 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -57.55 -36.69 71.97 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 119.772 -1.83 . . . . 0.0 111.909 167.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 85.2 m -66.2 -43.75 85.87 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.436 -1.415 . . . . 0.0 113.246 171.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -47.59 -51.86 19.75 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.682 0.673 . . . . 0.0 110.899 163.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -57.87 -40.96 81.47 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -52.22 -55.06 23.6 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.075 1.307 . . . . 0.0 110.145 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -57.58 -52.07 66.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.765 0.426 . . . . 0.0 112.105 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -45.05 -44.1 9.9 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.294 -1.504 . . . . 0.0 113.47 169.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -82.27 -12.07 58.26 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.767 -1.208 . . . . 0.0 113.424 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -81.37 -34.53 31.67 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.005 2.122 . . . . 0.0 111.604 170.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -51.61 149.25 4.61 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.096 0.559 . . . . 0.0 111.988 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -119.73 126.41 51.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.208 1.403 . . . . 0.0 111.825 -171.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.48 103.5 12.88 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.245 0.93 . . . . 0.0 109.959 171.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -69.38 1.91 3.47 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.6 1.16 . . . . 0.0 114.032 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? . . . . . 0 CA--C 1.536 0.407 0 C-N-CA 126.497 1.919 . . . . 0.0 112.794 -179.407 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 10.1 t -102.26 -178.99 3.86 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.661 1.585 . . . . 0.0 112.012 165.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.02 -66.91 0.2 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.232 1.813 . . . . 0.0 115.58 -167.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.2 p -58.09 -57.5 12.58 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -61.17 -31.57 71.31 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.957 1.253 . . . . 0.0 113.121 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.13 -51.55 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.103 -0.998 . . . . 0.0 111.169 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.61 77.03 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 123.17 1.462 . . . . 0.0 111.607 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.61 -31.44 52.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 121.088 -1.008 . . . . 0.0 112.212 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -29.89 65.74 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 169.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.32 -51.41 12.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.23 -43.11 64.11 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.482 -1.386 . . . . 0.0 111.952 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -52.79 -46.65 67.73 Favored 'General case' 0 C--O 1.227 -0.112 0 O-C-N 120.622 -1.299 . . . . 0.0 112.45 170.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -79.02 -25.89 43.24 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.62 -30.92 67.64 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 119.454 -2.029 . . . . 0.0 111.441 156.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -85.41 0.48 52.08 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 120.422 -1.424 . . . . 0.0 113.579 167.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.7 m120 41.65 60.79 2.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.667 2.787 . . . . 0.0 114.736 -163.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 11.0 mt -123.85 91.61 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.533 1.533 . . . . 0.0 112.409 -173.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 33.1 ttp85 -67.07 137.86 56.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.614 -1.304 . . . . 0.0 111.144 -177.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . 0.459 HD13 ' NH1' ' B' ' 113' ' ' ARG . 33.4 mm -99.65 115.59 65.5 Favored Pre-proline 0 CA--C 1.545 0.775 0 O-C-N 120.082 -1.636 . . . . 0.0 111.22 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . 0.559 ' HD3' HH12 ' B' ' 113' ' ' ARG . 32.0 Cg_exo -53.6 141.2 64.12 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.392 2.061 . . . . 0.0 110.446 168.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t -56.28 -17.31 7.26 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.764 -0.585 . . . . 0.0 112.317 171.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.78 -10.62 57.96 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 129.869 3.268 . . . . 0.0 112.113 -176.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 mm -75.4 -52.14 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 120.244 -1.535 . . . . 0.0 108.884 154.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 71.0 mt -66.59 -30.92 51.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 124.352 1.061 . . . . 0.0 111.536 -169.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.22 -55.27 4.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.81 2.444 . . . . 0.0 111.931 169.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -72.93 -67.35 0.57 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.274 1.829 . . . . 0.0 110.699 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -52.76 11.01 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.87 1.268 . . . . 0.0 113.147 -159.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 83.6 t -53.02 -34.41 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.452 1.101 . . . . 0.0 113.306 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -69.67 -49.58 52.26 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.093 0.557 . . . . 0.0 112.137 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.18 69.6 2.74 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.737 1.256 . . . . 0.0 110.215 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -56.0 77.38 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.752 2.021 . . . . 0.0 115.66 -166.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.96 156.75 20.22 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.328 -0.858 . . . . 0.0 111.365 170.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -87.51 -55.28 3.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.485 1.514 . . . . 0.0 111.64 -168.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 44.0 t -106.02 150.69 25.5 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -167.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -32.31 -53.57 0.31 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.971 2.108 . . . . 0.0 111.7 156.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -61.4 -42.07 98.15 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.226 -0.922 . . . . 0.0 112.019 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -69.27 -46.83 66.29 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 123.877 0.871 . . . . 0.0 111.211 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.12 -42.28 95.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.975 176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.296 3.6 pp -65.81 -35.76 81.59 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.148 1.34 . . . . 0.0 112.984 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.35 -58.8 6.94 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.146 -0.971 . . . . 0.0 111.222 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -60.89 -44.55 96.95 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.793 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 85.4 mt -58.71 -52.45 59.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 O-C-N 120.864 -1.147 . . . . 0.0 112.278 173.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.88 -45.08 50.26 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 121.128 1.785 . . . . 0.0 110.982 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 11.5 m -57.01 -53.71 55.04 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.471 -0.768 . . . . 0.0 113.031 173.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.7 -27.88 69.21 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.703 -1.248 . . . . 0.0 113.422 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.559 HH12 ' HD3' ' B' ' 87' ' ' PRO . 66.6 mtp85 -68.33 -24.45 64.83 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 119.871 -1.768 . . . . 0.0 111.718 167.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.4 23.5 m -70.69 -40.14 73.09 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.637 -1.914 . . . . 0.0 114.995 161.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -51.73 -63.08 1.25 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 120.807 1.639 . . . . 0.0 111.518 162.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -55.16 -39.83 69.94 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -49.44 77.57 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.61 1.55 . . . . 0.0 112.097 170.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.66 -42.02 98.34 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.253 0.933 . . . . 0.0 111.95 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 85' ' ' ARG . 1.4 tm-20 -55.34 -49.31 72.56 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 123.475 1.607 . . . . 0.0 111.503 171.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.62 -33.61 73.03 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.125 -1.609 . . . . 0.0 112.778 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -75.54 -13.48 60.36 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.519 1.928 . . . . 0.0 113.631 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -76.49 45.17 0.38 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 -167.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER 32.53 103.97 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 130.734 3.613 . . . . 0.0 118.968 171.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.725 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -82.23 105.01 12.97 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.605 -1.309 . . . . 0.0 109.361 157.361 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -27.25 68.96 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.271 -0.893 . . . . 0.0 113.044 176.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.544 ' HD3' HD13 ' A' ' 106' ' ' LEU . 12.8 ptp180 . . . . . 0 N--CA 1.469 0.52 0 C-N-CA 126.944 2.098 . . . . 0.0 115.13 174.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.558 ' HB3' HG22 ' A' ' 73' ' ' VAL . 2.8 mm? . . . . . 0 CA--C 1.545 0.784 0 CA-C-O 120.444 0.164 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.513 ' O ' HG23 ' A' ' 73' ' ' VAL . 7.7 t -98.63 174.27 6.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.478 1.911 . . . . 0.0 113.143 170.508 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -33.68 -67.1 0.14 Allowed 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -167.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -63.14 -51.05 68.04 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -176.162 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -65.89 -33.54 76.06 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.44 -1.413 . . . . 0.0 112.807 178.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' A' ' 68' ' ' LEU . 40.4 t -62.87 -52.35 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 120.877 -1.139 . . . . 0.0 110.254 171.244 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.85 71.82 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 122.609 1.195 . . . . 0.0 111.233 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.96 -40.5 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 O-C-N 121.351 -0.843 . . . . 0.0 111.875 174.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.2 -33.38 75.36 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 171.437 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.39 -55.09 13.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.96 0.886 . . . . 0.0 108.769 175.142 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.4 mt -49.86 -40.88 44.01 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.064 -1.023 . . . . 0.0 112.409 171.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -53.84 -56.57 16.42 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.324 -1.485 . . . . 0.0 113.035 171.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.55 -31.87 62.25 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.523 1.056 . . . . 0.0 112.927 -174.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -52.49 -44.17 65.47 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 120.202 -1.562 . . . . 0.0 111.366 160.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.6 t -73.25 -2.95 23.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.695 1.198 . . . . 0.0 113.868 174.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 62.51 46.04 5.9 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 129.47 3.108 . . . . 0.0 113.545 -175.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.2 mt -113.5 107.05 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.211 1.004 . . . . 0.0 112.081 173.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.74 118.18 16.39 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 165.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.3 mm -77.31 124.93 86.99 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 120.394 -1.441 . . . . 0.0 110.542 174.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.83 131.25 19.38 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 121.958 1.772 . . . . 0.0 110.123 170.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 m -47.92 -36.66 12.73 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.432 1.893 . . . . 0.0 113.677 -170.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.89 -45.22 15.1 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 173.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.3 mm -50.49 -51.9 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.671 0.748 . . . . 0.0 110.64 170.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.6 mt -68.71 -46.24 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.028 -171.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -49.83 -49.2 49.9 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.745 0.818 . . . . 0.0 112.447 177.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -63.12 -64.26 0.96 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.299 1.44 . . . . 0.0 110.968 173.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -47.32 81.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.071 0.948 . . . . 0.0 113.095 -169.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.97 -38.72 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 O-C-N 120.88 -1.138 . . . . 0.0 111.741 172.042 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -63.24 1.19 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.466 0.575 . . . . 0.0 111.287 171.33 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -84.66 63.94 8.23 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 122.437 1.113 . . . . 0.0 112.3 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -55.23 103.62 0.1 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.338 1.055 . . . . 0.0 113.235 -178.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.5 mt -73.85 177.55 5.48 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.176 0.989 . . . . 0.0 112.794 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -64.55 -43.29 94.41 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.798 0.839 . . . . 0.0 112.887 -161.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -178.13 172.23 1.61 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.674 0.79 . . . . 0.0 110.883 -158.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.544 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 3.9 mp0 -43.35 -62.28 1.11 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.605 1.962 . . . . 0.0 113.53 -165.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -56.37 -37.3 69.89 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.035 -176.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -77.46 -43.18 33.23 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 124.791 1.236 . . . . 0.0 110.921 -173.235 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.3 m -62.98 -44.48 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.667 168.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.36 -37.5 74.63 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.709 -1.244 . . . . 0.0 112.208 -174.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -51.03 -58.76 5.25 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.116 0.967 . . . . 0.0 110.869 167.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -53.02 -56.33 16.88 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 123.123 0.569 . . . . 0.0 111.611 178.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.0 mt -53.46 -47.15 59.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.284 1.034 . . . . 0.0 111.724 178.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.79 -37.7 76.9 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 119.745 -1.847 . . . . 0.0 112.756 173.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.8 m -66.07 -54.43 25.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.005 0.922 . . . . 0.0 112.618 174.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.9 -34.06 75.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.854 1.261 . . . . 0.0 111.705 175.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -63.95 -29.64 70.79 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 119.888 -1.757 . . . . 0.0 112.219 166.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.333 93.7 m -69.95 -39.51 76.02 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 120.497 -1.377 . . . . 0.0 114.316 169.004 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -50.27 -61.17 2.32 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.72 1.145 . . . . 0.0 111.061 159.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -52.31 -42.3 63.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -50.3 -49.95 52.11 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.796 -1.19 . . . . 0.0 111.533 172.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.52 -48.08 82.01 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.541 1.064 . . . . 0.0 112.458 172.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.26 -10.52 24.23 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 172.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -102.21 -2.71 28.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.945 1.698 . . . . 0.0 112.471 170.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -101.73 -52.18 3.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.856 2.062 . . . . 0.0 111.467 -174.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -46.3 133.32 9.64 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.353 1.061 . . . . 0.0 112.46 177.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -97.19 128.26 43.91 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.622 -1.299 . . . . 0.0 111.897 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.783 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.5 OUTLIER -78.54 100.33 6.87 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.234 -0.916 . . . . 0.0 109.16 172.848 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -67.97 -4.4 13.04 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.326 -1.484 . . . . 0.0 114.131 -175.144 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 . . . . . 0 N--CA 1.465 0.282 0 C-N-CA 126.218 1.807 . . . . 0.0 113.646 163.046 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 122.002 0.906 . . . . 0.0 113.068 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 5.5 t -91.3 -167.76 1.88 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.402 -0.812 . . . . 0.0 112.581 165.061 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.48 -68.28 0.2 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -164.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 83.7 m -61.58 -47.38 85.75 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.141 -0.975 . . . . 0.0 112.738 -173.281 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 pm0 -65.58 -38.45 89.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.793 0.837 . . . . 0.0 111.649 -178.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.97 -49.38 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 O-C-N 121.169 -0.957 . . . . 0.0 111.034 168.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.84 -40.16 63.12 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.605 1.193 . . . . 0.0 111.348 176.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.7 t -71.75 -37.86 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 123.929 0.892 . . . . 0.0 112.371 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.06 -34.35 76.09 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 169.134 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.33 -50.69 44.13 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -49.56 -38.41 31.08 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.849 -1.157 . . . . 0.0 113.008 168.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.783 ' CE1' HD12 ' A' ' 124' ' ' LEU . 13.9 m-85 -56.48 -54.24 48.07 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 120.16 -1.588 . . . . 0.0 113.061 169.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.279 15.9 mm-40 -79.67 -22.7 43.16 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.962 1.256 . . . . 0.0 114.122 -175.09 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -52.59 -41.85 64.01 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.145 -1.597 . . . . 0.0 111.079 155.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 16.3 m -80.22 2.74 23.2 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 172.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 45.63 65.26 1.18 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.109 1.764 . . . . 0.0 112.343 -165.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 79.2 mt -124.07 103.37 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.579 1.152 . . . . 0.0 111.545 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 138.46 57.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.035 168.349 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 13.5 mm -108.38 129.99 23.34 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 125.635 1.574 . . . . 0.0 110.229 176.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -62.17 143.67 94.75 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.822 2.348 . . . . 0.0 112.752 169.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 61.1 p -48.4 -58.31 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.116 1.766 . . . . 0.0 112.664 173.389 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -40.52 -54.26 2.54 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . 0.501 HG23 ' HE1' ' B' ' 116' ' ' TRP 0.25 15.2 pt -64.46 -35.02 73.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 O-C-N 120.678 -1.263 . . . . 0.0 113.168 177.303 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.28 -50.49 80.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 120.538 1.517 . . . . 0.0 111.224 171.216 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -48.36 -50.45 30.53 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.183 1.793 . . . . 0.0 111.318 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.86 -58.36 5.78 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.631 0.772 . . . . 0.0 111.89 172.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.2 tm? -55.29 -39.71 70.21 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.696 1.198 . . . . 0.0 113.105 -164.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 71.6 t -46.5 -49.4 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 O-C-N 121.268 -0.895 . . . . 0.0 112.56 168.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -65.82 -40.6 91.99 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.083 -1.011 . . . . 0.0 112.216 174.23 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -59.6 -35.0 73.45 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.392 -0.817 . . . . 0.0 112.456 176.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . 0.313 0.0 OUTLIER 26.17 59.32 0.07 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 128.155 2.582 . . . . 0.0 116.588 -178.192 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.0 156.06 15.53 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.327 -0.858 . . . . 0.0 111.629 176.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -72.02 -57.92 3.87 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 120.737 -1.227 . . . . 0.0 110.41 -152.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.0 p -96.51 163.92 12.83 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -39.85 -53.81 2.23 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.914 2.085 . . . . 0.0 111.269 161.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -59.14 -40.09 84.42 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.388 0.675 . . . . 0.0 112.503 -178.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -68.9 -47.49 65.69 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.881 -0.512 . . . . 0.0 111.739 178.197 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.03 -43.27 97.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.998 178.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.274 3.3 pp -67.64 -33.79 75.66 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.765 -1.21 . . . . 0.0 112.69 178.46 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -55.35 -62.39 1.7 Allowed 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.761 -1.212 . . . . 0.0 111.364 168.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . 0.491 ' CD2' HD23 ' B' ' 94' ' ' LEU . 82.1 t80 -52.29 -53.28 46.15 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.773 0.829 . . . . 0.0 111.705 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 87.7 mt -56.11 -55.34 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 123.676 0.79 . . . . 0.0 111.454 177.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -50.31 -40.29 48.3 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 120.683 1.583 . . . . 0.0 112.151 174.192 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.3 m -64.86 -59.46 4.18 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.076 0.95 . . . . 0.0 113.151 176.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.78 -34.75 78.6 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.509 -1.369 . . . . 0.0 111.977 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -56.88 -33.38 66.8 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.194 -1.566 . . . . 0.0 112.643 165.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.252 72.7 m -73.11 -31.93 64.64 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.582 -1.324 . . . . 0.0 114.247 167.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -58.29 6.29 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.192 1.36 . . . . 0.0 110.549 159.276 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . 0.501 ' HE1' HG23 ' B' ' 90' ' ' ILE . 23.1 m95 -52.68 -43.63 65.7 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.934 -1.104 . . . . 0.0 113.764 174.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -49.25 -53.54 21.12 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.261 -0.9 . . . . 0.0 110.806 171.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.36 -53.17 61.26 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 176.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -49.42 -38.26 28.54 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.16 1.346 . . . . 0.0 112.676 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -87.53 -6.81 58.18 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -88.46 -39.63 14.09 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.163 2.185 . . . . 0.0 110.731 169.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -54.62 134.87 47.03 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.186 0.995 . . . . 0.0 113.039 174.184 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 140.68 58.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.702 1.601 . . . . 0.0 114.085 171.481 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 24.4 tp -95.7 102.14 13.91 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.39 1.45 . . . . 0.0 110.795 144.203 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.67 -7.87 12.33 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -177.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 125.815 1.646 . . . . 0.0 113.886 -177.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp . . . . . 0 CA--C 1.538 0.483 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 p -104.82 -155.54 0.54 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.402 1.081 . . . . 0.0 111.651 168.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.95 -69.05 0.12 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -158.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.3 p -65.52 -43.19 90.82 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.8 0.809 . . . . 0.0 112.436 -170.076 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -68.83 -40.87 79.21 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.559 1.144 . . . . 0.0 110.904 -177.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.9 -46.06 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 121.197 -0.939 . . . . 0.0 111.172 171.145 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.4 -40.8 75.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.936 0.874 . . . . 0.0 111.596 -179.73 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.453 HG12 ' CE2' ' A' ' 79' ' ' TYR 0.278 16.0 t -79.1 -32.18 15.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 121.42 -0.8 . . . . 0.0 112.704 176.576 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.34 -34.74 75.77 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.245 -1.534 . . . . 0.0 114.478 168.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -55.21 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 169.132 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.8 mt -51.86 -37.02 50.41 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 118.54 -0.743 . . . . 0.0 112.411 177.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.463 ' CE1' HD12 ' B' ' 124' ' ' LEU . 26.6 m-85 -62.4 -71.24 0.16 Allowed 'General case' 0 C--O 1.239 0.504 0 CA-C-N 120.818 1.645 . . . . 0.0 113.05 166.606 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -70.06 -40.35 75.11 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.961 0.41 . . . . 0.0 110.387 -161.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -65.31 -41.0 94.48 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.164 -0.96 . . . . 0.0 112.533 173.23 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.8 t -58.26 -42.78 87.21 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 120.406 -1.434 . . . . 0.0 111.425 170.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . 0.262 20.3 p-10 125.39 18.39 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 130.463 3.505 . . . . 0.0 114.399 173.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 84' ' ' ILE . 3.2 mp -84.92 114.36 25.0 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 C-N-CA 125.642 1.577 . . . . 0.0 109.058 171.053 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -79.1 116.91 19.68 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.053 165.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.3 mm -77.07 136.62 65.81 Favored Pre-proline 0 CA--C 1.548 0.869 0 O-C-N 120.852 -1.155 . . . . 0.0 111.841 176.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -74.87 130.8 13.76 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 121.537 1.491 . . . . 0.0 109.618 169.212 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 p -48.73 -39.65 25.57 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.957 1.703 . . . . 0.0 114.326 -175.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -40.17 -60.31 1.09 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.902 1.281 . . . . 0.0 113.76 174.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.25 19.4 pt -65.35 -27.7 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 120.199 -1.563 . . . . 0.0 112.683 178.73 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.58 -43.68 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 120.754 -1.216 . . . . 0.0 111.335 170.06 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -47.24 -60.23 2.63 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.819 0.848 . . . . 0.0 111.628 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.81 -46.39 65.79 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 178.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.47 -45.55 73.18 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.542 -1.349 . . . . 0.0 112.314 -178.121 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.64 -35.82 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 121.095 -1.003 . . . . 0.0 113.213 170.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -67.34 -64.15 0.92 Allowed 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.28 -0.887 . . . . 0.0 110.755 172.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -60.3 -46.88 88.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.561 1.144 . . . . 0.0 113.061 -174.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 56.69 73.23 0.46 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.54 1.136 . . . . 0.0 112.833 162.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.94 165.79 24.5 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.449 -172.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.12 -25.2 51.87 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -157.5 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -150.79 167.87 26.14 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -46.47 -40.84 13.06 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.734 2.014 . . . . 0.0 112.73 -178.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -55.54 -52.17 64.61 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.77 1.228 . . . . 0.0 111.658 175.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.39 -44.44 78.87 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.659 -0.651 . . . . 0.0 111.528 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.01 -38.38 81.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.188 177.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 3.7 pp -65.2 -37.55 87.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.782 1.628 . . . . 0.0 111.541 174.444 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.23 -57.78 11.34 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.043 0.838 . . . . 0.0 111.467 174.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -49.25 -58.61 4.74 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.504 -0.748 . . . . 0.0 111.221 173.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.451 HG21 ' CE2' ' A' ' 79' ' ' TYR . 91.0 mt -60.16 -52.22 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 121.349 -0.845 . . . . 0.0 111.014 -172.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.96 -39.83 86.97 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.778 -1.201 . . . . 0.0 112.154 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.3 p -62.91 -51.5 66.7 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.026 -1.046 . . . . 0.0 112.948 172.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -70.88 -35.72 72.46 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.446 1.475 . . . . 0.0 112.343 -177.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -53.26 -32.82 50.38 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.978 -1.701 . . . . 0.0 111.792 161.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.302 96.9 m -78.8 -33.09 46.52 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 119.967 -1.708 . . . . 0.0 114.565 172.335 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -50.24 -58.45 5.59 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.991 1.269 . . . . 0.0 110.237 156.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -54.21 -39.27 66.55 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -49.3 75.05 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.138 -1.601 . . . . 0.0 112.391 173.165 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.13 -35.18 79.91 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.512 -0.743 . . . . 0.0 112.167 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -54.66 -62.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.428 1.091 . . . . 0.0 110.447 168.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -61.75 -12.57 17.53 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -75.28 -32.27 60.98 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.157 1.383 . . . . 0.0 113.062 168.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -63.61 135.57 56.88 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.052 -1.03 . . . . 0.0 113.61 -179.472 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 131.97 44.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.771 3.228 . . . . 0.0 115.744 178.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.0 tp -86.9 109.31 19.24 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.251 1.387 . . . . 0.0 110.327 149.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.48 26.04 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 179.344 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? . . . . . 0 CA--C 1.544 0.723 0 C-N-CA 126.74 2.016 . . . . 0.0 115.484 -169.531 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.543 0.687 0 N-CA-C 116.582 2.067 . . . . 0.0 116.582 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -116.39 -171.69 2.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.295 2.238 . . . . 0.0 110.89 168.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -35.09 -66.16 0.19 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.502 1.921 . . . . 0.0 115.997 -166.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.6 m -65.37 -55.87 15.72 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.212 -0.93 . . . . 0.0 113.141 -170.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -59.13 -43.52 91.99 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.086 -1.009 . . . . 0.0 111.416 176.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.1 -44.65 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 120.901 -1.124 . . . . 0.0 110.992 174.048 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.62 81.41 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.522 1.153 . . . . 0.0 111.61 176.288 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . 0.254 7.0 t -72.21 -37.28 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 120.818 -1.176 . . . . 0.0 112.421 178.306 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -40.33 80.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.587 1.155 . . . . 0.0 113.588 168.301 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -56.18 17.61 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 122.16 0.981 . . . . 0.0 109.041 174.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 80.3 mt -54.84 -36.17 64.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.458 -0.776 . . . . 0.0 112.361 178.346 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -51.95 -58.22 7.14 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.928 1.24 . . . . 0.0 112.328 168.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -73.7 -26.94 60.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -173.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -56.43 -47.56 78.8 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.7 -1.25 . . . . 0.0 111.068 158.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -18.38 63.27 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 169.3 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 3.9 m120 75.26 66.12 0.07 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 130.008 3.323 . . . . 0.0 111.489 -175.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 55.4 mt -134.92 106.73 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.627 1.971 . . . . 0.0 112.69 -177.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -71.06 133.5 46.33 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.798 -0.564 . . . . 0.0 110.091 165.188 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.23 127.48 38.3 Favored Pre-proline 0 CA--C 1.541 0.634 0 O-C-N 121.036 -1.04 . . . . 0.0 110.49 175.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.4 114.73 4.12 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 121.297 1.331 . . . . 0.0 109.236 170.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -29.59 -43.32 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 128.856 2.862 . . . . 0.0 116.299 -175.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -41.21 -48.64 3.52 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.736 1.214 . . . . 0.0 113.51 173.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 27.6 mm -44.94 -60.55 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 123.667 0.787 . . . . 0.0 110.866 169.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.9 -46.64 96.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.513 1.125 . . . . 0.0 110.468 -174.341 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.31 -62.35 1.53 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.276 1.831 . . . . 0.0 110.255 177.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.35 -51.71 64.78 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.954 -1.091 . . . . 0.0 112.235 178.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -53.1 35.13 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.495 1.118 . . . . 0.0 111.984 -175.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 49.0 t -52.44 -53.11 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.811 0.844 . . . . 0.0 112.069 171.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -60.3 -53.59 55.78 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.722 0.772 . . . . 0.0 113.008 -176.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -59.66 -35.79 75.15 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.935 -1.103 . . . . 0.0 111.297 176.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? 69.27 71.84 0.26 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.288 1.435 . . . . 0.0 112.75 167.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.19 165.4 24.45 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.474 0.709 . . . . 0.0 110.336 163.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -112.07 -70.53 0.8 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.121 0.968 . . . . 0.0 112.704 -166.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -70.42 147.14 49.82 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -167.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.31 64.78 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.579 2.751 . . . . 0.0 109.502 168.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 178.7 -52.18 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 129.982 3.313 . . . . 0.0 109.691 -174.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.06 -48.09 73.95 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 120.783 -1.198 . . . . 0.0 111.145 176.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 24.3 m -59.59 -43.02 90.1 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.064 -176.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.05 -36.53 75.06 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 118.924 -1.11 . . . . 0.0 112.105 177.384 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -59.96 -51.74 68.4 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.27 0.941 . . . . 0.0 110.065 178.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -56.98 -55.7 31.29 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.758 0.823 . . . . 0.0 112.083 174.385 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.91 -54.53 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 123.487 0.715 . . . . 0.0 111.371 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -55.01 -41.0 70.74 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.302 -1.499 . . . . 0.0 112.276 177.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 84.0 m -60.13 -54.96 39.66 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.097 -1.002 . . . . 0.0 112.426 172.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.59 -30.02 68.68 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 120.42 -1.425 . . . . 0.0 113.492 -177.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -59.24 -42.72 91.76 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 120.359 -1.463 . . . . 0.0 110.147 164.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.295 88.5 m -58.67 -44.72 90.29 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.919 -1.113 . . . . 0.0 113.764 172.149 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -48.97 -57.32 6.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.044 0.838 . . . . 0.0 111.594 161.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -53.77 -44.68 70.25 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.153 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.277 19.2 pttm -58.06 -41.87 84.25 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 119.856 -1.778 . . . . 0.0 112.921 171.482 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.78 -42.48 95.04 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.448 1.022 . . . . 0.0 112.844 174.198 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -53.5 -48.19 69.2 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.103 -1.623 . . . . 0.0 111.464 171.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.43 -11.35 32.36 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.564 1.546 . . . . 0.0 113.343 173.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -106.98 -27.79 10.44 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.486 1.914 . . . . 0.0 113.596 -177.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -41.73 135.3 2.28 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.788 1.235 . . . . 0.0 113.261 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.73 121.82 11.35 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -175.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -109.67 108.58 19.03 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 159.008 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -76.79 31.14 0.13 Allowed 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -175.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 . . . . . 0 CA--C 1.543 0.706 0 C-N-CA 127.636 2.374 . . . . 0.0 115.898 -178.843 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 CA--C 1.538 0.487 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.0 p -111.32 -153.67 0.52 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.797 1.639 . . . . 0.0 111.552 171.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.56 -74.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -157.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.2 p -60.07 -47.77 84.5 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -174.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -63.18 -42.61 99.41 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.354 -0.841 . . . . 0.0 111.666 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.12 -46.25 88.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 O-C-N 121.201 -0.937 . . . . 0.0 111.492 173.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.08 76.42 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 122.223 1.011 . . . . 0.0 111.461 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.593 HG21 HG23 ' A' ' 105' ' ' VAL . 30.5 t -70.12 -36.74 69.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 O-C-N 121.538 -0.726 . . . . 0.0 112.12 175.339 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.92 -40.0 91.52 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 168.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.46 -50.23 66.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.604 -0.685 . . . . 0.0 109.216 176.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.5 mt -45.81 -48.94 15.63 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.089 -1.007 . . . . 0.0 112.22 170.395 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -50.17 -53.64 26.41 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.777 -1.202 . . . . 0.0 113.071 173.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -82.54 -25.11 33.67 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -173.003 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -48.77 -44.4 38.72 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.162 -1.586 . . . . 0.0 109.606 154.165 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 m -78.29 -2.22 36.94 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 175.453 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 48.86 68.62 0.68 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.741 2.816 . . . . 0.0 114.447 -165.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.2 mt -126.37 110.75 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 124.819 1.247 . . . . 0.0 110.314 175.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -66.84 140.33 57.8 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 118.054 -1.458 . . . . 0.0 110.011 165.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.1 mm -104.35 125.66 33.61 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 125.002 1.321 . . . . 0.0 108.286 167.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.82 135.62 23.88 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 N-CA-C 108.535 -1.371 . . . . 0.0 108.535 175.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -39.12 1.34 Allowed 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 126.568 1.947 . . . . 0.0 113.292 -177.519 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.94 -46.63 16.29 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.421 1.488 . . . . 0.0 113.674 174.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.0 mm -54.54 -51.9 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 O-C-N 121.382 -0.824 . . . . 0.0 110.289 171.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.69 -43.85 93.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.098 0.559 . . . . 0.0 110.661 -171.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -47.07 -59.72 2.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.303 1.441 . . . . 0.0 111.258 170.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -57.82 -59.37 5.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.036 0.935 . . . . 0.0 110.622 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -51.52 62.79 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.856 0.836 . . . . 0.0 112.043 -174.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.35 -23.8 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.231 1.012 . . . . 0.0 112.787 177.023 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -68.78 -57.5 5.52 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.857 1.208 . . . . 0.0 111.47 162.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -59.38 -45.02 92.6 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -172.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.15 71.37 0.45 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 174.37 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.9 mt -70.22 -175.95 1.08 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.977 1.311 . . . . 0.0 110.974 164.066 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -142.1 -25.56 0.66 Allowed 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -172.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -100.24 140.58 34.28 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.011 1.278 . . . . 0.0 113.704 -178.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 67.5 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 128.876 2.871 . . . . 0.0 110.021 170.422 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 174.8 -55.64 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 129.16 2.984 . . . . 0.0 108.498 -167.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -59.41 -51.59 69.25 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.589 0.755 . . . . 0.0 110.7 176.269 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.593 HG23 HG21 ' A' ' 75' ' ' VAL . 2.5 m -57.13 -46.72 84.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.137 177.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.27 1.2 pp -68.19 -39.48 82.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 118.797 -1.161 . . . . 0.0 112.183 -178.387 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.259 9.9 p30 -71.55 -42.29 68.04 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.23 1.377 . . . . 0.0 112.289 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.16 -55.48 34.38 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.924 0.889 . . . . 0.0 111.707 172.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -54.01 -49.04 63.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 O-C-N 120.739 -1.226 . . . . 0.0 111.254 176.042 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -60.27 -41.01 92.4 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.752 -1.218 . . . . 0.0 113.166 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 p -64.79 -49.8 69.25 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.855 -1.153 . . . . 0.0 112.541 172.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.85 -34.51 77.51 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.559 -1.338 . . . . 0.0 112.218 175.706 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -65.36 -20.94 66.61 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 119.924 -1.735 . . . . 0.0 111.847 169.327 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.274 90.9 m -83.54 -38.18 22.05 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 119.433 -2.042 . . . . 0.0 114.271 168.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -47.78 -57.86 5.07 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.669 1.122 . . . . 0.0 110.295 157.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -55.38 -38.77 69.3 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -55.45 -58.35 8.1 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.476 -1.39 . . . . 0.0 112.683 167.311 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.5 mt -56.98 -44.76 83.02 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.292 1.044 . . . . 0.0 111.925 -177.45 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -55.21 -51.65 65.9 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.62 1.168 . . . . 0.0 111.901 171.706 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -72.2 -10.5 59.87 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.175 -1.578 . . . . 0.0 114.559 176.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -39.13 84.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.453 1.101 . . . . 0.0 111.427 165.084 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -54.5 131.67 43.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -106.79 133.06 52.03 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.715 2.006 . . . . 0.0 111.41 -173.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.431 HD22 ' CD1' ' B' ' 79' ' ' TYR . 16.6 tp -84.45 98.76 10.26 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.391 0.996 . . . . 0.0 110.138 173.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -63.74 -10.42 19.56 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.394 -1.441 . . . . 0.0 112.828 177.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . 0.285 13.9 ptp180 . . . . . 0 CA--C 1.537 0.459 0 C-N-CA 128.116 2.566 . . . . 0.0 116.434 155.467 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.262 10.9 mp . . . . . 0 CA--C 1.542 0.644 0 CA-C-O 122.658 1.218 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 16.9 t -89.78 -175.97 4.81 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.17 1.788 . . . . 0.0 112.378 170.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.0 -71.28 0.08 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -169.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.3 p -59.32 -45.48 91.21 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.051 -1.031 . . . . 0.0 113.379 -175.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.94 -37.04 85.01 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.009 0.923 . . . . 0.0 111.616 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.84 -51.9 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 120.953 -1.092 . . . . 0.0 111.701 170.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.86 66.1 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.602 1.192 . . . . 0.0 111.416 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 t -70.92 -40.46 76.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.432 173.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.15 -29.13 69.6 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 169.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.17 -55.19 7.69 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.668 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 34.2 mt -48.86 -41.28 32.63 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.39 -0.819 . . . . 0.0 111.957 170.31 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.431 ' CD1' HD22 ' A' ' 124' ' ' LEU . 7.4 m-85 -54.6 -54.68 38.29 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 120.683 -1.261 . . . . 0.0 112.836 171.576 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.266 57.7 mm-40 -73.64 -20.16 60.65 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.357 1.435 . . . . 0.0 113.381 -178.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -58.77 -31.79 68.7 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 119.898 -1.752 . . . . 0.0 111.914 157.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 68.6 m -87.92 9.78 20.97 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.353 -1.467 . . . . 0.0 113.434 167.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 35.31 57.34 0.83 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.704 2.002 . . . . 0.0 113.926 -160.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' B' ' 113' ' ' ARG . 21.2 mt -105.26 104.78 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.528 1.131 . . . . 0.0 112.622 -178.071 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.69 115.64 15.58 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.921 0.867 . . . . 0.0 109.593 169.243 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 50.1 mm -82.63 130.77 57.21 Favored Pre-proline 0 CA--C 1.548 0.882 0 O-C-N 120.562 -1.336 . . . . 0.0 109.967 173.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.36 153.76 26.67 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.069 2.513 . . . . 0.0 112.943 169.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -53.16 -56.41 16.56 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.85 0.86 . . . . 0.0 112.385 171.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -41.92 -56.55 2.71 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.88 1.272 . . . . 0.0 113.312 178.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 33.9 mm -43.22 -56.26 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.985 0.422 . . . . 0.0 111.036 172.035 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.34 -47.32 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 O-C-N 121.448 -0.783 . . . . 0.0 110.804 -175.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.41 -55.79 22.14 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.86 1.264 . . . . 0.0 111.155 -179.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.45 -57.8 11.22 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.593 1.157 . . . . 0.0 110.775 174.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -50.71 70.32 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.519 -0.738 . . . . 0.0 112.129 -170.528 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.04 -46.36 54.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 O-C-N 120.949 -1.095 . . . . 0.0 111.95 168.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -46.51 61.05 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.848 -1.157 . . . . 0.0 113.412 171.453 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -69.47 -70.23 0.29 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.301 0.955 . . . . 0.0 111.94 175.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 62.71 88.07 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.826 2.45 . . . . 0.0 114.509 -168.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.35 168.38 16.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.171 163.595 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.07 -63.47 1.35 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.061 -1.024 . . . . 0.0 111.301 -167.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 45.2 t -83.51 149.17 26.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 122.104 0.954 . . . . 0.0 113.097 -175.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -31.62 -55.33 0.27 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.467 1.907 . . . . 0.0 111.524 153.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -57.75 -41.63 82.28 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.204 -0.935 . . . . 0.0 112.747 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -71.18 -48.92 48.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.139 0.576 . . . . 0.0 110.592 -175.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.77 -41.58 93.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.357 174.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.308 2.2 pp -70.73 -33.3 70.7 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.691 1.132 . . . . 0.0 112.661 -178.42 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -56.2 -60.91 2.82 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.981 -1.075 . . . . 0.0 111.558 166.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -51.16 -55.22 19.0 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.478 1.111 . . . . 0.0 111.298 179.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.1 mt -55.8 -56.52 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 123.943 0.897 . . . . 0.0 111.46 177.437 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -49.38 -47.19 47.84 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 121.087 1.767 . . . . 0.0 111.791 177.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 22.2 m -55.94 -56.04 25.46 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.602 -0.686 . . . . 0.0 111.812 174.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -61.12 -34.35 74.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 178.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.564 ' CZ ' HG23 ' B' ' 84' ' ' ILE . 38.7 mtp180 -57.44 -36.55 71.53 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 119.73 -1.857 . . . . 0.0 110.783 168.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.295 77.3 m -72.9 -35.71 67.15 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 172.703 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -53.36 -57.52 10.3 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.993 1.27 . . . . 0.0 111.205 161.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -54.79 -45.03 74.24 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.227 -0.921 . . . . 0.0 113.147 179.172 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -45.41 -51.2 11.69 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.981 -1.074 . . . . 0.0 111.656 168.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.57 -45.84 88.59 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 175.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -54.86 -33.88 62.32 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 119.912 -1.743 . . . . 0.0 112.751 170.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -75.13 -7.21 53.14 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 119.994 -1.691 . . . . 0.0 112.805 175.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -111.73 -42.63 3.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.252 2.221 . . . . 0.0 113.434 -173.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -36.35 139.42 0.17 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 126.032 1.733 . . . . 0.0 114.956 178.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 130.03 43.02 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -178.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 17.4 tp -119.01 116.44 26.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.532 1.133 . . . . 0.0 109.733 157.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.52 23.65 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -174.382 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? . . . . . 0 CA--C 1.545 0.763 0 C-N-CA 126.772 2.029 . . . . 0.0 114.705 177.841 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.8 t -102.14 -170.36 1.8 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.518 1.927 . . . . 0.0 112.342 170.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.67 -63.56 1.02 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -168.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.5 p -66.18 -46.0 78.9 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.197 -0.939 . . . . 0.0 112.828 -171.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -67.22 -35.04 78.76 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.956 -1.09 . . . . 0.0 112.23 176.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.7 t -69.3 -42.78 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 O-C-N 120.687 -1.258 . . . . 0.0 112.217 173.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.39 64.14 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 122.418 1.104 . . . . 0.0 111.332 171.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.19 -35.92 60.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 123.469 0.708 . . . . 0.0 112.307 174.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mt -58.17 -33.7 69.51 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 168.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.23 -52.3 19.78 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.387 -0.821 . . . . 0.0 109.634 178.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 mt -56.84 -31.39 64.72 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.049 -1.032 . . . . 0.0 112.007 174.205 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CE1' HD12 ' B' ' 124' ' ' LEU . 9.6 m-85 -55.67 -58.63 7.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 120.764 -1.21 . . . . 0.0 113.43 165.108 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.28 52.4 mm-40 -72.49 -21.81 61.15 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 121.256 1.844 . . . . 0.0 113.622 -177.42 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -54.61 -40.19 68.65 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 119.973 -1.704 . . . . 0.0 111.674 158.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 p -84.42 9.22 13.86 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.234 -1.542 . . . . 0.0 114.214 171.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 39.86 58.2 2.15 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.307 2.243 . . . . 0.0 113.892 -163.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.688 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 22.9 mt -110.22 98.75 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.371 1.068 . . . . 0.0 113.256 178.053 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -68.63 129.33 39.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 118.739 -1.184 . . . . 0.0 109.417 164.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.9 mm -88.83 129.98 46.57 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.447 -0.783 . . . . 0.0 110.631 175.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.06 132.3 48.54 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.977 1.785 . . . . 0.0 112.187 169.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.8 m -41.17 -39.33 1.28 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.782 0.833 . . . . 0.0 112.922 168.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -36.9 81.33 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 178.517 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.7 mm -53.98 -54.16 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 O-C-N 120.743 -1.223 . . . . 0.0 109.294 167.297 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.66 -45.98 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 121.942 -0.474 . . . . 0.0 110.077 -168.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -41.96 -51.56 4.37 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.114 1.766 . . . . 0.0 112.829 173.121 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.47 -62.83 1.3 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.508 1.523 . . . . 0.0 111.187 174.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -44.28 74.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.168 1.387 . . . . 0.0 113.438 -170.075 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.2 t -51.41 -36.73 17.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 120.896 -1.127 . . . . 0.0 112.246 171.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -51.02 13.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.113 1.365 . . . . 0.0 113.111 174.145 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -57.67 -46.03 84.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.987 0.898 . . . . 0.0 111.781 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 47.4 69.38 0.52 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.808 2.443 . . . . 0.0 115.578 172.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.9 161.28 10.73 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.393 169.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -86.09 -63.69 1.28 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 122.134 0.968 . . . . 0.0 110.329 -158.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 m -78.87 145.58 34.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 122.319 1.057 . . . . 0.0 112.603 -176.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -31.75 -52.8 0.25 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.804 2.041 . . . . 0.0 112.593 159.247 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -67.94 -33.04 73.91 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.295 -1.503 . . . . 0.0 112.576 -179.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.88 -49.05 69.47 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.332 -0.855 . . . . 0.0 111.691 176.467 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.0 -41.79 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.917 -178.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.67 -39.72 88.27 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 118.272 -1.371 . . . . 0.0 112.234 174.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -52.77 -55.54 22.17 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 120.947 -1.096 . . . . 0.0 110.857 174.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -57.04 -67.21 0.34 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.008 1.323 . . . . 0.0 111.432 177.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.3 mt -48.15 -50.44 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 124.177 0.991 . . . . 0.0 111.586 -177.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.88 -45.53 82.47 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.871 -1.143 . . . . 0.0 112.071 -179.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.9 m -58.37 -55.12 39.07 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.227 -0.92 . . . . 0.0 111.599 170.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -54.37 -28.97 46.84 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.401 1.881 . . . . 0.0 112.241 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.688 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 36.2 ttt-85 -75.61 -41.51 54.17 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.213 -1.554 . . . . 0.0 112.293 176.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 m -63.57 -37.41 87.22 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.503 -1.373 . . . . 0.0 112.652 166.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -51.26 -59.61 4.02 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.075 0.852 . . . . 0.0 110.869 163.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -48.0 -48.18 32.78 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 177.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -47.51 -50.43 23.49 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.473 -0.767 . . . . 0.0 112.506 173.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.64 -41.51 75.52 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 176.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -56.59 -37.47 70.68 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.041 -1.662 . . . . 0.0 111.537 174.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -73.82 2.08 9.17 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.54 1.536 . . . . 0.0 113.779 174.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.68 -31.57 8.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.853 2.061 . . . . 0.0 112.508 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -50.91 141.89 12.71 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -175.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 122.33 8.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 129.309 3.044 . . . . 0.0 115.264 -178.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -117.53 122.91 44.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.142 0.977 . . . . 0.0 109.335 154.247 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.55 23.65 0.09 Allowed 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -178.095 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? . . . . . 0 CA--C 1.545 0.774 0 C-N-CA 125.892 1.677 . . . . 0.0 113.148 -172.934 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.545 0.777 0 CA-C-O 122.454 1.121 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -176.36 4.52 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.903 0.881 . . . . 0.0 111.687 164.159 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.88 -58.27 4.1 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -171.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -42.22 81.26 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.212 -0.93 . . . . 0.0 112.259 -173.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -71.17 -30.84 66.93 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.66 -0.65 . . . . 0.0 111.897 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.32 -47.87 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 O-C-N 120.437 -1.414 . . . . 0.0 111.453 166.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.18 80.86 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 122.017 0.913 . . . . 0.0 111.548 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -43.6 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 O-C-N 121.169 -0.957 . . . . 0.0 112.069 -178.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.93 -38.47 4.7 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.727 0.811 . . . . 0.0 113.079 165.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.39 -48.59 40.31 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.753 -0.592 . . . . 0.0 110.763 177.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.81 -42.46 17.14 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 119.996 -1.69 . . . . 0.0 111.784 169.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . 0.564 ' CE1' HD12 ' A' ' 124' ' ' LEU . 45.9 m-85 -59.45 -58.01 10.47 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 171.524 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.17 -24.99 29.92 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -169.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -43.77 -42.9 5.78 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.268 1.509 . . . . 0.0 110.478 152.241 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -87.08 2.99 47.97 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 178.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.323 0.0 OUTLIER 52.67 41.99 31.51 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 129.485 3.114 . . . . 0.0 115.247 -168.449 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.17 104.63 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 O-C-N 120.594 -1.317 . . . . 0.0 111.673 175.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.79 104.36 1.65 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 169.342 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 35.7 mm -69.98 117.57 55.22 Favored Pre-proline 0 CA--C 1.54 0.596 0 O-C-N 120.839 -1.163 . . . . 0.0 109.943 168.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -64.6 126.08 16.12 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 N-CA-C 109.386 -1.044 . . . . 0.0 109.386 173.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 58.6 p -41.88 -32.87 0.46 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.586 1.954 . . . . 0.0 114.397 -178.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.24 -44.55 53.54 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.477 1.111 . . . . 0.0 113.101 174.333 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 20.8 mm -49.9 -51.2 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 O-C-N 120.997 -1.065 . . . . 0.0 111.407 168.316 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.02 -42.78 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.036 0.934 . . . . 0.0 110.278 -171.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.06 -40.5 58.45 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.219 2.208 . . . . 0.0 112.589 175.207 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.45 -75.03 0.16 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.787 1.235 . . . . 0.0 109.85 167.422 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.5 -61.41 0.81 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.585 1.954 . . . . 0.0 113.682 -165.327 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 69.6 t -42.02 -69.34 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.508 1.123 . . . . 0.0 112.378 -178.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -14.33 58.81 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -177.508 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -64.18 -64.3 0.92 Allowed 'General case' 0 C--O 1.235 0.316 0 O-C-N 120.945 -1.097 . . . . 0.0 110.388 176.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.59 -169.4 1.74 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.336 -0.853 . . . . 0.0 112.728 -168.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 66.94 155.86 0.1 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.645 1.578 . . . . 0.0 114.229 165.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -167.32 52.68 0.07 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.443 1.097 . . . . 0.0 110.072 171.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.4 t -160.89 125.61 3.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.395 1.078 . . . . 0.0 110.261 -177.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.9 mp0 -47.88 -56.43 7.55 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.887 2.475 . . . . 0.0 113.918 -164.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -63.62 -41.32 98.3 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.244 -0.91 . . . . 0.0 111.394 178.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -69.4 -36.43 76.74 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.173 -1.579 . . . . 0.0 109.972 -175.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.88 -39.07 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 117.554 -1.212 . . . . 0.0 111.919 166.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.273 0.6 OUTLIER -64.18 -40.16 95.51 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 121.824 2.102 . . . . 0.0 111.842 178.115 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -54.5 -56.96 13.5 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.174 0.989 . . . . 0.0 110.832 171.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.06 -54.53 43.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.982 0.913 . . . . 0.0 112.652 179.001 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 83.1 mt -54.87 -52.75 39.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 C-N-CA 124.372 1.069 . . . . 0.0 111.082 177.113 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.51 -36.76 67.06 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.658 -1.276 . . . . 0.0 112.122 176.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 29.2 m -62.76 -59.52 4.77 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.594 -0.691 . . . . 0.0 112.374 171.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.33 -40.83 78.79 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.661 -1.275 . . . . 0.0 112.516 178.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -59.02 -30.25 67.86 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.801 2.041 . . . . 0.0 111.555 170.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.293 93.8 m -78.91 -37.35 40.15 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 119.421 -2.05 . . . . 0.0 114.073 171.359 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -48.36 -62.16 1.63 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.248 0.931 . . . . 0.0 110.594 158.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -53.01 -44.48 67.32 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -52.64 -48.18 66.59 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.8 -1.187 . . . . 0.0 112.953 174.316 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.68 -45.77 50.48 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.834 0.826 . . . . 0.0 112.522 178.496 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -52.55 -46.4 66.79 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.047 -1.658 . . . . 0.0 111.9 173.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -74.36 6.94 3.19 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.655 1.582 . . . . 0.0 113.69 174.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -84.07 -33.68 24.36 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.191 1.396 . . . . 0.0 111.534 165.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -59.63 140.17 56.61 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.677 0.671 . . . . 0.0 111.994 172.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -121.28 125.84 48.05 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.58 1.952 . . . . 0.0 112.505 -165.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -72.31 104.17 3.63 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.067 -1.021 . . . . 0.0 110.474 174.749 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -78.97 -17.34 55.59 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.968 -1.082 . . . . 0.0 113.033 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 150.378 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.316 8.1 mp . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 122.869 1.319 . . . . 0.0 111.621 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 t -81.83 -177.22 6.48 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.803 2.041 . . . . 0.0 112.376 166.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.59 -65.2 0.61 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -171.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -57.68 -52.36 65.74 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -177.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.02 -44.1 94.82 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.983 -1.073 . . . . 0.0 112.041 179.054 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.68 -43.97 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 120.746 -1.221 . . . . 0.0 112.168 172.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.28 -45.94 91.56 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.853 0.835 . . . . 0.0 110.902 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.56 HG12 ' CE2' ' A' ' 79' ' ' TYR . 14.5 t -74.29 -31.82 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 O-C-N 120.924 -1.11 . . . . 0.0 111.911 -179.494 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -37.6 29.5 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.825 -1.172 . . . . 0.0 113.007 165.555 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.5 -52.04 43.92 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.881 -0.512 . . . . 0.0 109.887 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.6 mt -55.5 -31.72 62.27 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.106 -0.996 . . . . 0.0 112.291 177.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.638 ' CE1' HD12 ' B' ' 124' ' ' LEU . 37.6 m-85 -62.07 -64.88 0.79 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.464 -1.397 . . . . 0.0 113.131 167.428 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -69.01 -37.05 78.44 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 120.049 1.295 . . . . 0.0 112.069 -171.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -63.48 -20.08 65.28 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.25 -1.531 . . . . 0.0 113.242 167.205 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -87.87 -1.88 58.26 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 119.79 -1.819 . . . . 0.0 112.793 167.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 58.37 46.85 14.72 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.729 2.412 . . . . 0.0 112.516 -167.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.9 mt -109.73 106.29 20.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 125.191 1.396 . . . . 0.0 109.829 167.262 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 133.94 50.5 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.001 -0.679 . . . . 0.0 109.651 165.121 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.6 mm -98.29 128.52 33.07 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.902 0.881 . . . . 0.0 109.603 170.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.04 143.45 25.9 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.952 1.768 . . . . 0.0 109.278 171.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 m -48.77 -36.44 16.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 126.059 1.743 . . . . 0.0 112.066 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.98 -37.22 52.3 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.449 1.899 . . . . 0.0 114.169 175.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.3 mm -60.14 -51.04 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 119.646 -1.909 . . . . 0.0 109.671 168.597 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 63.0 mt -70.84 -27.16 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.824 0.85 . . . . 0.0 111.501 -172.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -47.87 -66.31 0.42 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.855 2.062 . . . . 0.0 110.272 167.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.55 -63.77 1.05 Allowed 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.812 1.645 . . . . 0.0 110.869 178.134 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -53.2 20.76 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -164.274 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.06 -45.89 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.205 1.002 . . . . 0.0 113.431 172.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -23.02 67.23 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.098 -1.001 . . . . 0.0 112.857 178.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -84.64 -50.01 8.04 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.938 0.895 . . . . 0.0 111.685 168.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . 0.26 8.9 ptp85 41.37 73.51 0.13 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 128.296 2.638 . . . . 0.0 114.721 -172.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.6 165.07 10.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.565 1.146 . . . . 0.0 112.186 178.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -77.53 -62.65 1.59 Allowed 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.682 -1.261 . . . . 0.0 110.711 -164.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.4 t -91.61 151.05 20.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 122.756 1.265 . . . . 0.0 113.987 -175.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -34.67 -45.94 0.27 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.717 2.407 . . . . 0.0 112.35 155.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -58.02 -48.68 79.32 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.858 -1.152 . . . . 0.0 112.185 174.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -65.73 -50.16 65.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.053 -0.404 . . . . 0.0 110.648 -177.278 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.4 m -64.07 -37.04 78.8 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.375 178.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.259 0.9 OUTLIER -67.49 -43.13 81.66 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 120.65 1.568 . . . . 0.0 111.782 178.065 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.251 11.4 p30 -69.74 -40.82 75.94 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.795 1.179 . . . . 0.0 112.051 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -58.12 -57.3 13.44 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.837 0.855 . . . . 0.0 112.059 172.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 81.2 mt -52.82 -50.22 43.81 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 121.189 -0.944 . . . . 0.0 111.06 176.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.07 -38.26 70.43 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.953 -1.092 . . . . 0.0 112.446 175.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.4 m -62.87 -57.28 11.39 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.491 -0.756 . . . . 0.0 112.492 171.569 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -60.83 -28.87 69.13 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.566 -1.333 . . . . 0.0 112.825 177.336 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -74.94 -20.86 59.5 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.587 1.955 . . . . 0.0 111.643 171.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.261 95.7 m -76.92 -43.72 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 119.905 -1.747 . . . . 0.0 112.745 164.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -45.46 -63.14 1.02 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.174 0.897 . . . . 0.0 110.449 159.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -55.13 -42.12 72.62 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -31.3 72.44 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 120.218 -1.551 . . . . 0.0 114.105 175.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.61 -47.39 22.49 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 122.551 1.167 . . . . 0.0 111.332 173.663 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -54.2 -51.65 63.74 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.552 1.541 . . . . 0.0 111.571 176.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -68.75 0.17 4.62 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.532 -1.355 . . . . 0.0 114.059 174.03 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.52 -31.75 24.27 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.363 1.465 . . . . 0.0 112.012 167.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -60.47 146.19 45.6 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.166 0.894 . . . . 0.0 112.145 172.111 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -124.59 131.18 53.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.798 2.039 . . . . 0.0 111.635 -165.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.0 tp -86.36 105.9 17.03 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.017 -1.052 . . . . 0.0 110.319 174.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -67.7 4.63 1.04 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.35 -1.469 . . . . 0.0 114.108 177.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 126.267 1.827 . . . . 0.0 112.943 178.978 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 68' ' ' LEU . . . . . 0.474 ' CD1' HG23 ' B' ' 91' ' ' ILE . 6.9 mp . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -124.89 178.11 5.67 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.212 2.605 . . . . 0.0 110.702 171.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.58 -65.07 0.16 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -167.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.8 p -65.04 -56.26 14.1 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -172.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 pm0 -62.89 -33.87 76.2 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.441 1.473 . . . . 0.0 112.262 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.77 -50.96 77.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 O-C-N 120.804 -1.185 . . . . 0.0 111.514 173.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.66 -38.45 69.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.968 1.366 . . . . 0.0 111.483 175.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 t -73.6 -33.15 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.794 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -30.66 65.2 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.135 -0.978 . . . . 0.0 112.988 169.004 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.5 -53.71 8.21 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.256 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.9 mt -49.92 -40.16 42.41 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.295 -0.878 . . . . 0.0 111.601 170.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -55.84 -54.95 38.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 120.801 -1.187 . . . . 0.0 113.264 171.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.265 23.4 mm-40 -73.78 -21.77 60.06 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.89 1.677 . . . . 0.0 113.361 -178.568 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -55.27 -40.12 70.62 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.111 -1.618 . . . . 0.0 111.693 157.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 23.7 p -82.1 6.76 15.34 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 171.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 50.36 53.2 13.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.816 2.046 . . . . 0.0 112.804 -169.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 84' ' ' ILE . . . . . 0.645 HG23 ' CZ ' ' B' ' 113' ' ' ARG . 36.1 mt -114.69 102.6 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 178.427 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -66.77 123.52 20.36 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 120.96 -1.088 . . . . 0.0 108.623 160.367 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 36.1 mm -88.52 129.06 50.56 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 124.404 1.082 . . . . 0.0 109.865 171.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -51.74 138.19 50.36 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.219 1.946 . . . . 0.0 112.587 172.144 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.5 t -50.34 -44.86 54.58 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.893 0.877 . . . . 0.0 111.581 176.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.88 -43.34 49.25 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.709 1.204 . . . . 0.0 113.738 173.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.9 mm -56.34 -56.63 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 120.949 -1.094 . . . . 0.0 110.264 172.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 91' ' ' ILE . . . . . 0.474 HG23 ' CD1' ' B' ' 68' ' ' LEU . 60.1 mt -54.25 -44.69 66.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.735 0.814 . . . . 0.0 110.804 -176.495 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -57.35 -59.84 4.53 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.973 174.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.11 -51.74 60.9 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.137 -0.977 . . . . 0.0 110.842 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.64 -49.26 57.36 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.472 0.709 . . . . 0.0 112.867 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.36 -30.85 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 124.073 0.949 . . . . 0.0 112.752 175.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.25 -55.4 10.65 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.847 -1.158 . . . . 0.0 112.27 168.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -65.35 -37.29 86.59 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -174.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 54.79 75.52 0.3 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.154 1.381 . . . . 0.0 114.181 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.07 154.54 29.34 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.434 -0.791 . . . . 0.0 109.696 161.554 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.66 -56.49 2.77 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -164.18 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 6.7 p -87.9 157.81 18.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.107 1.321 . . . . 0.0 113.928 178.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -44.09 -49.92 8.7 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.806 2.042 . . . . 0.0 111.7 174.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.55 -45.31 73.44 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.438 1.095 . . . . 0.0 111.984 -178.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -67.27 -48.72 66.87 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.703 0.401 . . . . 0.0 110.937 -176.186 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.78 -43.6 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.171 178.435 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.306 3.9 pp -65.4 -30.15 70.93 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.501 -1.374 . . . . 0.0 113.38 177.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.4 -60.06 3.86 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.692 -1.255 . . . . 0.0 111.804 171.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.93 -44.27 86.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.628 0.371 . . . . 0.0 111.205 -179.087 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 92.3 mt -58.6 -53.85 41.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.319 -0.863 . . . . 0.0 113.009 173.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.81 -39.03 65.17 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 121.229 1.831 . . . . 0.0 112.095 175.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 22.5 m -62.39 -62.58 1.65 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.004 0.922 . . . . 0.0 112.529 175.056 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -55.9 -35.75 66.91 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.664 1.186 . . . . 0.0 112.108 177.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 113' ' ' ARG . . . . . 0.645 ' CZ ' HG23 ' B' ' 84' ' ' ILE . 23.3 ttt-85 -65.37 -30.43 71.26 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 119.622 -1.924 . . . . 0.0 111.754 173.335 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.268 54.5 m -73.18 -36.73 66.64 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.694 -1.254 . . . . 0.0 114.111 168.522 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.48 -62.05 1.76 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.442 1.019 . . . . 0.0 110.565 159.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -50.33 -47.17 55.9 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -48.48 -55.05 12.0 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.853 -1.155 . . . . 0.0 113.073 171.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.3 -40.97 98.84 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.212 -0.93 . . . . 0.0 112.094 177.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -59.04 -35.54 73.49 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.566 -1.334 . . . . 0.0 112.213 175.115 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -72.81 -11.41 60.59 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 120.038 -1.664 . . . . 0.0 113.188 171.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -94.39 -43.37 8.41 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.069 1.747 . . . . 0.0 112.398 -174.401 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -43.74 145.6 0.65 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -176.277 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 134.14 56.75 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.019 1.728 . . . . 0.0 114.928 174.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -107.05 124.49 49.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.685 1.194 . . . . 0.0 109.243 154.585 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.31 26.85 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -179.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 CA--C 1.543 0.686 0 C-N-CA 126.809 2.044 . . . . 0.0 114.122 -173.17 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 112.381 0.512 . . . . 0.0 112.381 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.7 ttm 48.66 49.23 18.97 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.15 1.38 . . . . 0.0 112.408 -175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.35 148.01 7.25 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 126.702 2.001 . . . . 0.0 115.703 -170.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -72.02 66.68 0.6 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.379 1.472 . . . . 0.0 112.649 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 t -72.12 58.61 0.37 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.427 1.091 . . . . 0.0 112.469 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.39 127.93 41.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 O-C-N 120.576 -1.327 . . . . 0.0 111.566 -173.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 46.53 47.13 14.45 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 166.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.3 mt -63.64 111.25 2.31 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.836 0.854 . . . . 0.0 111.14 173.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.4 t -61.38 162.37 7.97 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.549 -0.719 . . . . 0.0 110.762 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.83 -40.81 80.93 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.725 -1.234 . . . . 0.0 113.147 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.5 p -65.95 -49.03 69.33 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.935 -1.103 . . . . 0.0 112.686 171.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -55.62 -55.12 35.83 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.335 -0.853 . . . . 0.0 110.511 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -57.85 -41.41 79.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.888 1.275 . . . . 0.0 111.648 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.6 -48.81 75.83 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 122.074 0.94 . . . . 0.0 111.572 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.551 HG12 ' CE2' ' A' ' 79' ' ' TYR . 19.1 t -74.22 -38.93 48.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.981 0 O-C-N 120.654 -1.279 . . . . 0.0 111.577 -176.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.37 -41.27 2.8 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.654 1.582 . . . . 0.0 113.175 165.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.96 -54.13 24.94 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.0 mt -48.96 -41.52 34.36 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.713 -0.617 . . . . 0.0 112.513 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' HG12 ' A' ' 75' ' ' VAL . 54.6 m-85 -57.28 -65.18 0.67 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.921 1.237 . . . . 0.0 112.93 171.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -63.28 -41.19 98.98 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.425 0.557 . . . . 0.0 110.05 -171.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -61.03 -37.19 81.73 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 120.418 -1.426 . . . . 0.0 113.271 168.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.6 m -65.25 -8.47 17.87 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 119.58 -1.95 . . . . 0.0 113.471 168.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 73.66 23.94 2.29 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 129.162 2.985 . . . . 0.0 112.835 -172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.3 mp -93.54 100.75 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 172.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.43 131.95 46.18 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 118.347 -1.341 . . . . 0.0 110.229 171.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 15.5 mm -92.16 129.7 40.56 Favored Pre-proline 0 CA--C 1.548 0.88 0 O-C-N 121.821 -0.549 . . . . 0.0 111.268 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -58.63 124.23 15.32 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 122.328 2.019 . . . . 0.0 110.423 165.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.2 p -49.82 -37.79 31.96 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.09 -54.21 3.67 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.509 1.123 . . . . 0.0 113.665 173.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.8 pt -73.95 -20.75 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 O-C-N 120.428 -1.42 . . . . 0.0 113.67 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.4 mt -64.61 -45.95 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.89 1.223 . . . . 0.0 109.44 166.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.85 -49.0 59.92 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.986 1.714 . . . . 0.0 111.564 175.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -60.41 -61.69 2.41 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.304 1.042 . . . . 0.0 110.733 171.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.17 -50.43 58.98 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.553 0.741 . . . . 0.0 112.233 -171.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.07 -38.37 29.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.026 1.33 . . . . 0.0 112.689 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -46.06 68.52 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.569 1.148 . . . . 0.0 112.33 173.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -58.64 -41.84 86.93 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.268 0.556 . . . . 0.0 112.032 176.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.0 tpp85 58.18 69.39 0.74 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.468 1.507 . . . . 0.0 114.314 170.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.6 mt -78.54 175.58 10.22 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.412 1.085 . . . . 0.0 112.447 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -94.1 -49.85 5.57 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.792 1.237 . . . . 0.0 112.058 -173.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.5 t -124.14 152.39 42.86 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -164.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -40.71 -48.35 2.96 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 129.276 3.03 . . . . 0.0 112.021 170.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -63.42 -42.84 98.74 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.518 -0.739 . . . . 0.0 112.755 176.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -64.72 -46.49 82.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.314 -0.866 . . . . 0.0 111.008 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.4 m -65.68 -44.84 93.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 O-C-N 121.909 -0.495 . . . . 0.0 110.277 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.519 ' HB3' HG11 ' A' ' 75' ' ' VAL . 2.8 pp -64.67 -31.6 72.89 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 120.783 -1.198 . . . . 0.0 112.46 177.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -65.39 -61.25 2.22 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.69 1.132 . . . . 0.0 110.476 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.1 t80 -50.31 -58.81 4.82 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.842 1.257 . . . . 0.0 111.273 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.405 HD13 ' CE2' ' A' ' 79' ' ' TYR . 77.5 mt -51.49 -49.09 34.02 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.337 0 O-C-N 121.637 -0.664 . . . . 0.0 111.438 178.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.34 -42.92 99.78 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 120.635 1.561 . . . . 0.0 113.012 -177.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.1 p -59.61 -51.76 68.45 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.43 -0.794 . . . . 0.0 111.572 172.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.34 -32.92 73.77 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-O 123.16 1.457 . . . . 0.0 112.374 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.5 ttt-85 -70.4 -19.36 63.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.433 -2.042 . . . . 0.0 112.361 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 87.7 m -90.07 -37.49 14.23 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.094 -1.629 . . . . 0.0 113.077 172.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -44.86 -54.47 6.38 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 119.144 0.884 . . . . 0.0 110.149 154.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.432 ' HA ' ' CE3' ' A' ' 116' ' ' TRP . 0.1 OUTLIER -53.64 -50.25 66.14 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 113.486 0.921 . . . . 0.0 113.486 178.33 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -49.45 -48.26 47.66 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.976 -1.078 . . . . 0.0 113.015 173.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 92.3 mt -58.62 -55.08 39.67 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.16 0.891 . . . . 0.0 112.603 174.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 49.0 mm-40 -64.02 -17.23 63.14 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.231 -1.543 . . . . 0.0 113.942 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -84.39 -18.17 36.96 Favored 'General case' 0 CA--C 1.547 0.845 0 O-C-N 119.77 -1.831 . . . . 0.0 112.757 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -99.1 -50.06 4.29 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.095 2.158 . . . . 0.0 112.799 -174.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -49.14 146.91 3.25 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -167.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 ttpp -42.66 109.71 0.15 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 129.179 2.992 . . . . 0.0 114.85 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 18.5 tp -103.29 118.74 37.47 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 119.814 1.188 . . . . 0.0 109.554 142.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.74 28.93 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? 65.0 -60.26 0.24 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.746 2.018 . . . . 0.0 114.116 -177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.68 -80.69 0.66 Allowed Glycine 0 CA--C 1.534 1.225 0 O-C-N 121.404 -0.81 . . . . 0.0 112.384 -177.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 91.6 p -79.44 49.59 1.02 Allowed 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.364 -1.08 . . . . 0.0 112.601 -176.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -70.61 149.84 46.65 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -174.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 87.4 mttt . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 125.914 1.686 . . . . 0.0 111.071 179.034 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 . . . . . 0 CA--C 1.547 0.845 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 51.5 ttp -74.65 68.18 1.63 Allowed 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.026 0.93 . . . . 0.0 110.914 173.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -127.62 166.02 18.86 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.328 1.851 . . . . 0.0 110.44 -175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.88 44.48 0.06 Allowed 'General case' 0 CA--C 1.55 0.969 0 O-C-N 121.191 -0.943 . . . . 0.0 113.339 164.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 16.4 m -158.19 69.7 0.52 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 127.783 2.433 . . . . 0.0 107.375 174.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 45.6 t -85.67 -66.53 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.296 0 C-N-CA 124.64 1.176 . . . . 0.0 110.66 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -161.93 73.36 0.41 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.482 1.513 . . . . 0.0 110.384 -177.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.448 ' H ' HG21 ' B' ' 95' ' ' VAL 0.291 6.8 mp 70.87 68.22 0.18 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 123.608 1.67 . . . . 0.0 111.351 -171.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.94 173.47 7.73 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 128.32 2.648 . . . . 0.0 111.155 174.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.52 -66.01 0.14 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.0 p -59.5 -58.37 8.89 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -63.01 -33.5 75.56 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.543 -1.348 . . . . 0.0 112.504 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.59 -49.95 78.08 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 O-C-N 121.214 -0.929 . . . . 0.0 111.323 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.35 -39.12 69.64 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 122.324 1.059 . . . . 0.0 111.224 178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 t -72.75 -37.03 54.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.624 -0.672 . . . . 0.0 112.66 176.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 mt -60.57 -36.17 77.85 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 167.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -67.58 -51.14 53.93 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 175.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 53.9 mt -47.42 -50.85 21.72 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 121.0 -1.063 . . . . 0.0 112.27 170.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -47.14 -54.37 10.75 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.826 1.194 . . . . 0.0 112.783 173.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.251 6.8 mm-40 -83.73 -27.11 29.18 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -171.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -48.27 -46.43 35.82 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.286 -1.509 . . . . 0.0 109.636 154.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.77 -12.51 60.42 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 176.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.401 0.1 OUTLIER 63.87 51.41 2.36 Favored 'General case' 0 CA--C 1.546 0.81 1 C-N-CA 132.294 4.237 . . . . 0.0 116.066 -169.717 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 1.7 mp -111.11 105.83 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.168 1.387 . . . . 0.0 111.331 174.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.49 130.03 40.8 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.076 -1.015 . . . . 0.0 110.372 171.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 31.8 mm -93.94 132.62 29.21 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 120.912 -1.118 . . . . 0.0 111.583 175.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -62.76 131.11 31.84 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 122.674 2.249 . . . . 0.0 110.936 166.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 34.6 p -41.0 -48.29 3.18 Favored 'General case' 0 C--O 1.223 -0.33 0 C-N-CA 124.344 1.058 . . . . 0.0 111.686 167.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -39.07 -48.03 1.61 Allowed 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 173.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 22.2 mm -51.98 -53.42 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 121.484 -0.76 . . . . 0.0 110.581 173.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -68.95 -46.04 79.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 C-N-CA 124.201 1.0 . . . . 0.0 110.555 -172.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -54.26 -26.97 31.91 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 128.317 2.647 . . . . 0.0 113.975 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -84.58 -74.92 0.37 Allowed 'General case' 0 CA--C 1.548 0.865 0 C-N-CA 124.553 1.141 . . . . 0.0 110.336 163.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.454 HD23 ' CD1' ' B' ' 108' ' ' TYR . 0.8 OUTLIER -40.74 -55.78 2.33 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 127.484 2.314 . . . . 0.0 113.469 -169.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.448 HG21 ' H ' ' B' ' 68' ' ' LEU . 0.3 OUTLIER -61.54 -17.08 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 -172.232 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -77.46 -52.51 8.98 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.029 -1.044 . . . . 0.0 112.151 168.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 10.3 mm-40 -59.88 -28.49 67.59 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.352 1.061 . . . . 0.0 113.282 -168.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . 0.319 0.0 OUTLIER 57.33 107.54 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.727 2.011 . . . . 0.0 115.539 177.228 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 72.6 mt -107.52 171.75 7.21 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 120.745 -1.222 . . . . 0.0 112.108 174.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -74.22 -39.37 63.14 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -158.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 9.4 t -171.22 -178.83 2.5 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.9 1.28 . . . . 0.0 109.603 -165.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -65.02 -51.44 61.55 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 125.216 1.406 . . . . 0.0 112.025 -159.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -58.42 -34.09 70.4 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.029 -1.044 . . . . 0.0 111.922 175.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -72.87 -40.22 65.8 Favored 'General case' 0 N--CA 1.444 -0.733 0 C-N-CA 124.716 1.206 . . . . 0.0 110.79 -173.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 23.6 m -65.49 -47.01 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 119.365 -0.934 . . . . 0.0 111.538 166.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.259 1.2 pp -63.69 -34.31 77.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 120.38 1.445 . . . . 0.0 112.422 -178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.9 -57.96 9.03 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.92 0.888 . . . . 0.0 110.459 170.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . 0.454 ' CD1' HD23 ' B' ' 94' ' ' LEU . 52.7 t80 -58.2 -54.1 50.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.085 0.554 . . . . 0.0 112.311 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 93.5 mt -51.47 -54.14 13.18 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 123.558 0.743 . . . . 0.0 111.213 176.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -55.25 -36.66 66.29 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.075 -1.015 . . . . 0.0 112.6 175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 39.3 m -63.28 -59.84 4.19 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.577 -0.702 . . . . 0.0 112.415 171.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -59.39 -34.76 72.83 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-O 122.644 1.212 . . . . 0.0 112.258 179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -63.17 -36.55 84.0 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.309 1.844 . . . . 0.0 111.468 170.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 58.4 m -69.38 -41.85 75.95 Favored 'General case' 0 C--O 1.235 0.297 0 O-C-N 120.975 -1.078 . . . . 0.0 113.35 172.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -48.07 -55.9 9.08 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 118.563 0.62 . . . . 0.0 110.717 160.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 4.0 m95 -54.65 -42.04 70.83 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 114.844 1.424 . . . . 0.0 114.844 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.281 15.4 pttm -62.11 -51.68 66.94 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.326 1.875 . . . . 0.0 113.605 171.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -65.69 -31.06 71.85 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 119.947 1.248 . . . . 0.0 112.412 -175.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -62.7 -53.97 46.39 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.321 1.448 . . . . 0.0 111.488 168.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -71.2 -3.85 22.42 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 120.249 -1.532 . . . . 0.0 114.732 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -75.31 -40.01 58.92 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 127.312 2.245 . . . . 0.0 113.039 162.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -56.35 152.62 10.95 Favored 'General case' 0 CA--C 1.553 1.084 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 -168.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 103.69 14.04 Favored 'General case' 0 CA--C 1.551 1.008 0 N-CA-C 116.902 2.186 . . . . 0.0 116.902 -172.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 79' ' ' TYR . 15.5 tp -87.25 112.9 22.49 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.288 -1.508 . . . . 0.0 108.829 154.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -70.67 29.85 0.04 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.99 1.716 . . . . 0.0 114.843 -175.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.73 -64.67 0.27 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.814 1.646 . . . . 0.0 114.33 177.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.84 -66.31 0.84 Allowed Glycine 0 CA--C 1.538 1.469 0 C-N-CA 124.222 0.915 . . . . 0.0 114.398 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 49.7 m -75.4 64.92 1.61 Allowed 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.393 -1.063 . . . . 0.0 113.769 -171.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.47 61.32 0.92 Allowed 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.073 -1.017 . . . . 0.0 110.945 172.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 85.3 tttt . . . . . 0 CA--C 1.537 0.461 0 C-N-CA 125.011 1.324 . . . . 0.0 112.176 -175.743 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 . . . . . 0 CA--C 1.539 0.546 0 CA-C-O 120.534 0.207 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 50.4 ttm -41.96 120.23 1.51 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.603 1.161 . . . . 0.0 113.079 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -79.77 50.25 1.14 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.362 1.865 . . . . 0.0 113.11 -172.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -144.96 134.69 23.47 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.343 1.457 . . . . 0.0 110.637 -174.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.6 m -72.42 61.18 0.48 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.06 1.344 . . . . 0.0 113.031 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.9 t -74.02 95.08 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 O-C-N 120.716 -1.24 . . . . 0.0 110.554 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.3 103.54 0.08 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.175 1.39 . . . . 0.0 112.408 172.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.8 mp 61.91 68.46 0.69 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 123.156 1.455 . . . . 0.0 111.256 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -71.84 167.93 18.96 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.887 1.275 . . . . 0.0 112.177 166.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.59 -49.25 14.26 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.808 1.243 . . . . 0.0 113.671 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.41 -66.2 0.53 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -61.28 -31.24 71.07 Favored 'General case' 0 C--O 1.223 -0.339 0 O-C-N 120.278 -1.514 . . . . 0.0 112.287 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 69.5 t -61.98 -48.63 87.65 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 CA-C-N 119.054 0.843 . . . . 0.0 111.037 171.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.19 -38.45 79.86 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 122.074 0.94 . . . . 0.0 111.768 176.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.542 HG12 ' CE2' ' A' ' 79' ' ' TYR . 8.0 t -73.26 -34.92 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 O-C-N 120.721 -1.237 . . . . 0.0 112.16 173.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 mt -61.31 -36.8 81.09 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.938 1.695 . . . . 0.0 113.706 172.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.15 -56.58 17.4 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 172.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 mt -58.78 -33.39 70.27 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.415 0.895 . . . . 0.0 113.415 177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.542 ' CE2' HG12 ' A' ' 75' ' ' VAL . 13.6 m-85 -56.29 -53.64 54.9 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 120.957 -1.089 . . . . 0.0 111.249 170.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -72.44 -27.84 62.57 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.905 1.229 . . . . 0.0 112.94 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -56.65 -38.35 72.03 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.08 -1.638 . . . . 0.0 111.915 161.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.0 p -81.23 5.43 17.08 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 120.956 -1.09 . . . . 0.0 113.868 170.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 47.38 54.25 9.82 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.788 2.035 . . . . 0.0 112.498 -171.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.554 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 17.8 mt -113.15 109.0 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 C-N-CA 125.986 1.714 . . . . 0.0 111.949 175.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -68.45 125.77 27.51 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.092 -1.005 . . . . 0.0 108.522 161.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.6 mm -84.68 127.16 66.49 Favored Pre-proline 0 CA--C 1.535 0.403 0 O-C-N 120.811 -1.181 . . . . 0.0 109.111 166.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -52.28 134.05 49.74 Favored 'Trans proline' 0 N--CA 1.451 -0.999 0 C-N-CA 121.206 1.271 . . . . 0.0 111.314 171.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 55.5 m -44.69 -44.36 9.06 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 124.871 1.268 . . . . 0.0 110.219 165.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -67.26 12.24 0.09 Allowed 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 126.33 1.852 . . . . 0.0 115.463 174.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.9 mm -101.52 -54.27 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 O-C-N 120.214 -1.553 . . . . 0.0 108.432 157.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 66.0 mt -54.29 -40.74 49.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 C-N-CA 125.443 1.497 . . . . 0.0 110.518 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -30.07 -68.58 0.07 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.006 2.123 . . . . 0.0 112.845 164.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -73.76 -51.21 17.21 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.735 1.214 . . . . 0.0 112.134 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.37 -49.78 12.77 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.91 1.284 . . . . 0.0 112.641 -170.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 69.7 t -53.52 -39.41 36.9 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 C-N-CA 123.978 0.911 . . . . 0.0 113.21 177.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -77.8 -48.81 15.65 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.537 1.135 . . . . 0.0 112.488 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.6 mm-40 -56.52 -31.81 64.48 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.506 0.669 . . . . 0.0 111.284 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? 60.58 52.01 4.78 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.741 1.216 . . . . 0.0 112.465 157.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 15.7 mt -68.48 165.92 17.97 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.387 -0.821 . . . . 0.0 111.018 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 19.9 tp60 -101.55 -47.51 4.63 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 115.206 1.558 . . . . 0.0 115.206 -162.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.1 p -108.96 164.6 12.26 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.659 1.183 . . . . 0.0 113.273 -175.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -49.44 -41.14 39.18 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 170.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.3 mm100 -61.03 -43.29 99.1 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 121.402 -0.811 . . . . 0.0 112.41 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -68.22 -51.95 39.68 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-O 120.751 0.31 . . . . 0.0 110.93 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.527 HG23 HG21 ' A' ' 75' ' ' VAL . 14.1 m -64.9 -39.51 85.91 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.482 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.284 -177.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.18 -44.39 92.18 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 120.196 1.362 . . . . 0.0 111.731 177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -71.57 -43.53 66.17 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 118.04 -1.464 . . . . 0.0 111.923 -176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -61.34 -51.12 70.16 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.832 -0.543 . . . . 0.0 111.517 174.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 80.2 mt -53.82 -54.39 20.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 O-C-N 121.255 -0.903 . . . . 0.0 112.003 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.443 ' OE1' ' NZ ' ' B' ' 123' ' ' LYS . 38.1 mt-10 -59.5 -38.67 81.51 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.165 -1.585 . . . . 0.0 112.687 179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 90.5 m -58.03 -58.03 10.23 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.287 -0.883 . . . . 0.0 112.148 171.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -54.98 -39.57 69.13 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 121.167 -0.958 . . . . 0.0 112.185 175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.554 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 23.2 ttt-85 -61.95 -27.83 69.11 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 119.984 -1.697 . . . . 0.0 111.499 175.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.265 89.0 m -78.57 -34.96 46.56 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 167.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.97 -59.36 3.95 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 120.318 1.417 . . . . 0.0 110.041 159.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -52.69 -47.45 67.24 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -45.06 -48.56 11.8 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.74 -1.225 . . . . 0.0 112.808 169.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.95 -42.85 84.51 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.206 -0.934 . . . . 0.0 112.874 174.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -65.48 -15.26 62.47 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.042 -1.662 . . . . 0.0 113.489 171.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -84.93 -2.94 58.47 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 119.516 -1.99 . . . . 0.0 113.198 167.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -116.94 -45.53 2.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.482 1.913 . . . . 0.0 112.301 -171.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -52.11 148.86 5.75 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -42.44 100.1 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.198 2.999 . . . . 0.0 114.908 171.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.656 HD12 ' CD1' ' B' ' 79' ' ' TYR . 4.4 tt -80.56 116.68 20.72 Favored 'General case' 0 N--CA 1.476 0.848 0 CA-C-N 120.813 1.642 . . . . 0.0 107.182 141.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.437 ' N ' HD23 ' A' ' 124' ' ' LEU . 0.1 OUTLIER -72.2 36.54 0.07 Allowed 'General case' 0 CA--C 1.554 1.098 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -176.117 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 54.85 -71.31 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 127.011 2.125 . . . . 0.0 113.649 -168.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.29 -69.76 0.15 Allowed Glycine 0 CA--C 1.535 1.314 0 C-N-CA 124.401 1.001 . . . . 0.0 111.532 -173.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 61.9 m -54.49 89.26 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.445 1.498 . . . . 0.0 111.779 162.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 92.2 mt -122.5 57.43 1.09 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.163 1.785 . . . . 0.0 108.606 165.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 19.7 tttp . . . . . 0 CA--C 1.544 0.741 0 C-N-CA 125.384 1.474 . . . . 0.0 113.583 -167.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -75.15 68.35 1.9 Allowed 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.972 -1.08 . . . . 0.0 112.49 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -157.09 167.13 31.32 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.778 1.631 . . . . 0.0 111.108 174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -46.12 133.22 9.28 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 128.053 2.541 . . . . 0.0 113.774 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 40.3 p -75.65 62.34 1.45 Allowed 'General case' 0 CA--C 1.538 0.49 0 O-C-N 120.871 -1.143 . . . . 0.0 110.729 168.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 77.0 t -130.94 136.89 57.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 C-N-CA 125.372 1.469 . . . . 0.0 110.418 -175.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -64.12 130.49 44.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.795 0.838 . . . . 0.0 112.291 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.506 ' H ' ' CG2' ' B' ' 95' ' ' VAL . 2.8 mp 50.58 66.4 1.17 Allowed 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 123.194 1.473 . . . . 0.0 111.547 -175.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 28.7 t -78.44 -176.53 4.81 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.409 1.1 . . . . 0.0 112.455 169.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.11 -58.39 7.19 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.839 1.256 . . . . 0.0 114.384 -168.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.8 p -62.5 -50.04 72.99 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.2 pm0 -63.91 -41.56 97.64 Favored 'General case' 0 CA--C 1.535 0.402 0 O-C-N 121.115 -0.991 . . . . 0.0 111.77 177.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.4 -45.31 99.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 O-C-N 121.051 -1.031 . . . . 0.0 111.509 175.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.84 -45.67 89.5 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 122.174 0.988 . . . . 0.0 110.947 177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -69.05 -35.96 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 O-C-N 121.404 -0.81 . . . . 0.0 111.851 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -48.12 77.37 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.515 1.126 . . . . 0.0 112.094 172.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -59.11 -48.32 82.02 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.705 177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.88 -29.48 68.35 Favored 'General case' 0 N--CA 1.446 -0.635 0 O-C-N 121.18 -0.95 . . . . 0.0 112.818 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.656 ' CD1' HD12 ' A' ' 124' ' ' LEU . 58.6 m-85 -58.32 -56.5 21.29 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 120.779 1.627 . . . . 0.0 112.277 165.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -73.58 -39.51 64.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.695 1.134 . . . . 0.0 113.235 -173.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -57.89 -24.11 56.2 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.089 -1.632 . . . . 0.0 112.529 164.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.4 m -82.24 -15.77 51.9 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.088 -1.633 . . . . 0.0 115.401 166.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.442 ' C ' HD12 ' B' ' 84' ' ' ILE . 16.3 t-20 80.53 44.53 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 130.49 3.516 . . . . 0.0 113.363 -173.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.442 HD12 ' C ' ' B' ' 83' ' ' ASN . 2.1 mp -126.76 125.76 67.45 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.619 0 C-N-CA 126.324 1.849 . . . . 0.0 108.603 173.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.49 155.16 23.52 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 119.917 1.235 . . . . 0.0 109.78 161.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 8.6 mm -105.7 130.26 23.33 Favored Pre-proline 0 N--CA 1.469 0.513 0 O-C-N 120.72 -1.238 . . . . 0.0 110.344 170.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -56.44 126.99 24.13 Favored 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 121.799 1.666 . . . . 0.0 111.061 171.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 87.6 p -49.66 -35.87 22.86 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 123.248 0.619 . . . . 0.0 111.189 171.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -52.51 -18.8 1.86 Allowed 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 116.721 2.119 . . . . 0.0 116.721 176.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 pt -106.01 -24.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.367 -1.458 . . . . 0.0 112.442 173.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 75.4 mt -63.24 -38.21 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 O-C-N 121.049 -1.032 . . . . 0.0 110.268 164.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -35.82 -52.12 0.71 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 128.398 2.679 . . . . 0.0 112.649 170.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.75 -65.19 1.02 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.874 2.07 . . . . 0.0 111.146 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.545 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.1 tm? -52.02 -43.93 63.92 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.619 1.168 . . . . 0.0 113.48 -166.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . 0.506 ' CG2' ' H ' ' B' ' 68' ' ' LEU . 0.5 OUTLIER -65.73 -12.61 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 -177.38 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -85.73 -46.99 10.19 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.207 -0.933 . . . . 0.0 110.982 162.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -49.14 -46.27 44.93 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 124.147 0.979 . . . . 0.0 112.448 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? 50.92 76.19 0.16 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.388 1.075 . . . . 0.0 112.608 169.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 12.0 mt -80.82 164.21 22.87 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.246 1.018 . . . . 0.0 110.197 177.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.7 tm0? -75.21 -62.38 1.58 Allowed 'General case' 0 N--CA 1.468 0.442 0 O-C-N 120.845 -1.159 . . . . 0.0 110.707 -172.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 48.0 t -92.92 151.56 19.87 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 114.197 1.184 . . . . 0.0 114.197 -171.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -34.87 -46.26 0.3 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 128.001 2.52 . . . . 0.0 111.51 156.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -60.7 -48.89 79.75 Favored 'General case' 0 C--O 1.223 -0.312 0 O-C-N 121.316 -0.865 . . . . 0.0 111.467 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.37 -48.06 79.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 121.204 -0.935 . . . . 0.0 111.139 -178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 25.9 m -66.46 -38.84 82.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.823 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.82 -39.27 87.64 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 120.903 1.683 . . . . 0.0 111.534 174.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -58.0 -54.63 44.71 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.3 0.954 . . . . 0.0 110.349 175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . 0.545 ' CD2' HD23 ' B' ' 94' ' ' LEU . 45.7 t80 -60.14 -55.45 33.72 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.262 1.025 . . . . 0.0 112.059 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.2 mt -54.31 -47.61 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 C-N-CA 123.779 0.832 . . . . 0.0 111.744 177.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.81 -36.83 75.12 Favored 'General case' 0 CA--C 1.552 1.048 0 O-C-N 120.311 -1.493 . . . . 0.0 112.117 174.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 39.5 m -63.83 -55.27 24.14 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.007 -1.058 . . . . 0.0 112.606 172.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -51.87 -45.24 64.03 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 123.31 1.529 . . . . 0.0 112.124 171.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -62.26 -21.34 65.12 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 119.627 -1.921 . . . . 0.0 111.659 173.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.272 63.4 m -80.8 -38.46 28.41 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 119.343 -2.098 . . . . 0.0 114.101 165.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.9 -57.44 4.35 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.784 1.174 . . . . 0.0 110.556 158.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -57.53 -39.12 75.89 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 114.453 1.279 . . . . 0.0 114.453 178.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -55.68 -50.21 70.87 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.44 -1.412 . . . . 0.0 112.595 169.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.68 -49.64 75.69 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.251 0.932 . . . . 0.0 111.503 178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -51.83 -55.59 19.07 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.777 -1.202 . . . . 0.0 112.155 173.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -70.49 -4.22 21.75 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.69 -1.256 . . . . 0.0 113.782 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -84.78 -26.49 27.51 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.725 1.61 . . . . 0.0 112.887 163.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.74 140.47 58.74 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 120.343 1.429 . . . . 0.0 111.32 168.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . 0.443 ' NZ ' ' OE1' ' A' ' 110' ' ' GLU . 8.7 tmtm? -116.56 128.7 55.66 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.08 1.752 . . . . 0.0 111.235 -175.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.417 HD22 ' CD1' ' A' ' 79' ' ' TYR . 21.9 tp -77.29 93.01 3.94 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.716 -1.24 . . . . 0.0 110.563 175.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -67.64 -10.65 54.06 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.568 -1.333 . . . . 0.0 113.948 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 70.42 -60.77 0.48 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.669 1.988 . . . . 0.0 115.796 172.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.62 -68.44 0.41 Allowed Glycine 0 CA--C 1.538 1.49 0 O-C-N 121.019 -1.051 . . . . 0.0 111.177 -162.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 22.4 t -68.87 76.59 0.31 Allowed 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.994 -1.298 . . . . 0.0 111.465 168.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 32.5 tp -62.26 143.94 56.22 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.228 -0.92 . . . . 0.0 109.266 159.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 39.4 mmtm . . . . . 0 CA--C 1.539 0.536 0 C-N-CA 123.964 0.905 . . . . 0.0 110.995 172.654 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -73.83 66.11 1.1 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.845 1.258 . . . . 0.0 111.861 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -54.67 125.9 21.73 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.422 1.489 . . . . 0.0 113.577 -175.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.31 48.67 1.85 Allowed 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 122.802 1.286 . . . . 0.0 109.256 164.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.7 m -153.43 -47.72 0.09 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.079 0.952 . . . . 0.0 112.066 -178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.4 t -89.3 -9.13 10.77 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 125.18 1.392 . . . . 0.0 110.833 170.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -32.37 139.64 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 128.18 2.592 . . . . 0.0 115.733 170.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 72.1 mt 55.63 60.34 3.37 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.856 1.312 . . . . 0.0 111.393 -169.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -74.6 168.69 19.29 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.801 1.24 . . . . 0.0 111.56 165.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.46 -54.66 3.77 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -173.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.0 p -59.92 -57.45 12.82 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 113.75 1.018 . . . . 0.0 113.75 -178.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.2 pm0 -63.11 -32.62 74.04 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.523 -1.361 . . . . 0.0 112.324 177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.39 -48.6 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 120.853 -1.154 . . . . 0.0 111.747 172.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.87 -37.64 66.51 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 122.245 1.022 . . . . 0.0 111.28 177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.26 57.4 t -80.33 -37.21 16.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -178.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.75 -45.77 14.72 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 120.773 -1.205 . . . . 0.0 113.59 161.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -70.41 -45.69 65.42 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.767 -0.583 . . . . 0.0 110.135 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 45.5 mt -47.78 -38.1 14.96 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 120.087 -1.633 . . . . 0.0 112.692 169.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.548 ' CE1' HD12 ' B' ' 124' ' ' LEU . 37.1 m-85 -59.01 -59.64 5.14 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.676 -1.265 . . . . 0.0 113.657 168.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -84.63 -26.33 27.93 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -168.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -44.15 -49.19 9.12 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 123.014 1.388 . . . . 0.0 109.85 152.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.1 t -82.63 -0.68 48.23 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 69.16 38.25 1.96 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 128.359 2.664 . . . . 0.0 112.455 173.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 83.4 mt -103.06 113.19 39.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 125.953 1.701 . . . . 0.0 112.588 177.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -67.14 132.21 47.37 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.146 -0.971 . . . . 0.0 110.154 162.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mm -95.11 123.51 56.96 Favored Pre-proline 0 CA--C 1.54 0.57 0 C-N-CA 123.909 0.884 . . . . 0.0 109.723 167.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -67.94 104.39 1.0 Allowed 'Trans proline' 0 N--CA 1.452 -0.919 0 N-CA-C 108.36 -1.439 . . . . 0.0 108.36 168.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -42.99 -22.65 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 128.148 2.579 . . . . 0.0 117.107 -168.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -43.86 -50.59 7.9 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.53 1.059 . . . . 0.0 112.403 165.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.9 mm -38.02 -54.71 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 C-N-CA 125.035 1.334 . . . . 0.0 111.674 166.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 76.4 mt -73.04 -45.7 53.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 124.384 1.074 . . . . 0.0 110.085 -171.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 -48.51 -57.49 6.07 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.036 0.935 . . . . 0.0 111.319 173.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -59.25 -56.54 20.86 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.868 0.842 . . . . 0.0 110.686 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.9 OUTLIER -55.69 -47.56 76.56 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.146 -0.972 . . . . 0.0 112.263 -175.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 47.2 t -53.51 -48.35 58.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 124.439 1.096 . . . . 0.0 112.031 169.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -56.59 -37.38 70.55 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.001 0.819 . . . . 0.0 113.025 174.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -79.11 -63.96 1.29 Allowed 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.3 113.64 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.789 2.436 . . . . 0.0 114.322 -166.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -92.86 179.23 5.52 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.113 0.965 . . . . 0.0 109.378 158.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -81.72 -46.97 13.52 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.22 -0.925 . . . . 0.0 112.636 -167.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 6.5 t -129.5 160.19 33.96 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.758 1.392 . . . . 0.0 114.758 -170.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -36.39 -51.51 0.81 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 127.781 2.433 . . . . 0.0 113.338 171.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.95 -39.86 87.0 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 121.022 -1.048 . . . . 0.0 112.418 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -70.89 -47.61 58.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.89 -0.506 . . . . 0.0 110.503 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.1 m -65.72 -36.15 76.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 C-N-CA 119.503 -0.879 . . . . 0.0 111.073 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.1 pp -63.78 -39.99 95.59 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 120.389 1.449 . . . . 0.0 111.059 173.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -57.81 -54.57 45.36 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.188 0.903 . . . . 0.0 111.647 173.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.425 ' CD1' HD23 ' A' ' 94' ' ' LEU . 43.1 t80 -56.22 -58.71 6.8 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.304 1.041 . . . . 0.0 112.02 179.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 91.4 mt -50.82 -52.11 18.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.428 0 C-N-CA 123.843 0.857 . . . . 0.0 110.737 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.71 -40.28 75.37 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 120.672 -1.267 . . . . 0.0 112.46 177.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 35.1 m -60.58 -55.13 37.07 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.218 -0.926 . . . . 0.0 112.225 171.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -62.17 -32.89 73.57 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.127 1.371 . . . . 0.0 112.313 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -67.24 -24.42 65.81 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 128.046 2.538 . . . . 0.0 111.061 169.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.259 88.1 m -83.47 -38.09 22.3 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 119.253 -2.154 . . . . 0.0 113.741 169.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 26.9 t80 -48.8 -57.08 6.93 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 119.36 0.982 . . . . 0.0 111.016 160.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -54.66 -41.22 69.88 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 176.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -53.65 -47.09 70.67 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.783 -1.823 . . . . 0.0 113.066 167.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -49.03 79.4 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.126 0.57 . . . . 0.0 110.799 177.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -54.1 -41.66 68.55 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 120.356 -1.465 . . . . 0.0 112.719 171.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -72.55 -11.77 60.79 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.618 -1.301 . . . . 0.0 113.179 176.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -48.18 6.51 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.112 1.765 . . . . 0.0 112.286 178.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -31.56 130.98 0.12 Allowed 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 116.178 1.918 . . . . 0.0 116.178 -173.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -46.66 132.68 10.92 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.119 1.768 . . . . 0.0 114.904 171.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.517 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -124.83 123.13 39.29 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.266 1.426 . . . . 0.0 108.907 158.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -74.49 25.6 0.08 Allowed 'General case' 0 CA--C 1.551 1.005 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? 64.95 -60.74 0.23 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.473 1.909 . . . . 0.0 114.582 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.04 -70.04 1.02 Allowed Glycine 0 CA--C 1.535 1.306 0 O-C-N 121.259 -0.901 . . . . 0.0 112.455 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.4 t -77.1 74.03 3.68 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.273 -1.134 . . . . 0.0 111.929 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.65 62.36 1.04 Allowed 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.904 -1.122 . . . . 0.0 110.946 171.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.538 0.489 0 C-N-CA 125.659 1.584 . . . . 0.0 111.121 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 81.9 t60 . . . . . 0 CA--C 1.541 0.609 0 CA-C-O 121.305 0.574 . . . . 0.0 111.81 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 57.4 mtm -69.58 80.7 0.41 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.811 0.844 . . . . 0.0 109.808 170.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -68.92 156.03 39.24 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -162.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -120.5 73.23 0.99 Allowed 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.896 1.678 . . . . 0.0 110.139 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 9.1 t 44.31 -135.88 0.54 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.034 1.334 . . . . 0.0 114.18 173.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 7.2 p -51.91 157.72 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.875 0 C-N-CA 125.25 1.42 . . . . 0.0 114.115 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -53.13 129.52 31.35 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.869 -1.145 . . . . 0.0 109.073 164.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 3.7 mp 64.35 82.75 0.18 Allowed 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 122.053 0.93 . . . . 0.0 112.962 -172.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 23.1 t -103.95 -175.96 2.95 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.259 -0.901 . . . . 0.0 112.124 167.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.74 -67.89 0.19 Allowed 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -163.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 85.8 m -61.22 -52.24 65.62 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.378 -0.827 . . . . 0.0 112.579 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.7 pm0 -61.88 -38.8 89.68 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.667 -1.27 . . . . 0.0 112.426 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.0 -47.19 92.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 O-C-N 120.951 -1.093 . . . . 0.0 111.308 169.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.98 -35.3 64.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 122.199 1.0 . . . . 0.0 111.666 175.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.4 t -77.43 -39.37 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.696 0 O-C-N 121.44 -0.787 . . . . 0.0 112.777 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -51.95 -41.1 61.8 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 164.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -68.08 -48.26 66.03 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 23.0 mt -47.18 -40.33 15.72 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 119.895 -1.753 . . . . 0.0 112.953 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.517 ' CE1' HD12 ' A' ' 124' ' ' LEU . 26.7 m-85 -57.28 -62.11 2.0 Favored 'General case' 0 CA--C 1.536 0.44 0 O-C-N 120.514 -1.366 . . . . 0.0 113.485 169.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -82.07 -29.02 32.07 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.027 1.285 . . . . 0.0 114.176 -168.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -42.85 -55.25 3.77 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 122.926 1.346 . . . . 0.0 109.754 156.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 13.8 t -64.15 -47.7 78.88 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.773 -179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 124.14 34.87 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 131.643 3.977 . . . . 0.0 113.791 175.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 94.6 mt -105.49 115.7 47.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 125.817 1.647 . . . . 0.0 113.87 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -75.9 133.71 40.46 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 121.23 -0.919 . . . . 0.0 111.254 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 7.8 mm -103.61 134.52 19.7 Favored Pre-proline 0 CA--C 1.544 0.734 0 C-N-CA 125.283 1.433 . . . . 0.0 111.266 177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -78.66 98.32 1.19 Allowed 'Trans proline' 0 CA--C 1.542 0.911 0 C-N-CA 122.274 1.982 . . . . 0.0 110.045 170.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.8 m -26.94 -41.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 128.867 2.867 . . . . 0.0 118.093 -174.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -32.18 -55.14 0.32 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.31 1.444 . . . . 0.0 113.851 168.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 25.2 pt -64.7 -36.01 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.468 0 O-C-N 120.988 -1.07 . . . . 0.0 113.152 178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 47.4 mt -60.65 -47.22 93.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 O-C-N 121.288 -0.883 . . . . 0.0 110.238 172.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -57.58 -60.59 3.44 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-O 120.947 0.404 . . . . 0.0 111.031 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -57.15 -44.42 83.4 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.812 -1.18 . . . . 0.0 110.704 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.2 tm? -54.98 -43.79 73.84 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.132 -0.98 . . . . 0.0 112.199 177.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.2 t -57.24 -47.75 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 O-C-N 120.746 -1.221 . . . . 0.0 113.121 167.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -55.31 -48.69 73.75 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 119.263 0.938 . . . . 0.0 112.954 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -68.59 -56.83 6.95 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 120.302 -1.499 . . . . 0.0 111.608 175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 69.13 72.63 0.26 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 128.84 2.856 . . . . 0.0 115.058 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.98 156.7 30.42 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.4 -0.813 . . . . 0.0 111.059 163.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -87.18 -65.89 0.97 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 120.971 -1.081 . . . . 0.0 111.925 -158.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 14.9 t -88.25 156.93 18.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.111 0.958 . . . . 0.0 113.492 -174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.428 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 1.9 mp0 -42.82 -46.95 5.42 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.459 1.904 . . . . 0.0 111.694 173.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -61.06 -44.07 97.93 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.329 -0.857 . . . . 0.0 111.868 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -64.8 -49.47 70.53 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 121.463 -0.773 . . . . 0.0 110.947 -179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 29.0 m -65.66 -40.08 86.85 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.384 0 C-N-CA 120.116 -0.634 . . . . 0.0 110.291 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.269 1.3 pp -64.34 -39.98 94.96 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 120.105 1.32 . . . . 0.0 111.638 174.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -56.39 -53.77 53.49 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.721 1.146 . . . . 0.0 110.831 175.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . 0.53 ' CD2' HD23 ' B' ' 94' ' ' LEU . 53.2 t80 -59.04 -59.68 5.08 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.835 1.254 . . . . 0.0 112.431 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.4 -51.15 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 124.026 0.93 . . . . 0.0 110.695 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.51 -40.11 74.47 Favored 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.586 -1.321 . . . . 0.0 112.765 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.8 m -61.14 -55.45 32.25 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.447 -0.783 . . . . 0.0 111.941 171.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.33 -44.76 95.19 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.727 -1.233 . . . . 0.0 113.033 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -48.85 -35.95 15.81 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.397 1.879 . . . . 0.0 111.645 166.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.261 95.8 m -75.46 -35.55 60.85 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.23 -1.544 . . . . 0.0 114.28 171.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -50.27 -60.65 2.77 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.593 1.088 . . . . 0.0 111.02 159.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -52.42 -42.03 63.74 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.627 1.103 . . . . 0.0 112.979 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -52.47 -51.29 60.08 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.211 -0.931 . . . . 0.0 112.045 173.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -70.36 -39.1 74.84 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -52.02 -45.56 64.63 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.691 1.596 . . . . 0.0 111.175 170.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -73.3 -5.25 38.33 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 120.513 -1.367 . . . . 0.0 113.545 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -101.93 -32.99 9.94 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.749 2.02 . . . . 0.0 112.274 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -38.23 132.63 1.03 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.233 1.413 . . . . 0.0 113.954 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.21 130.37 10.36 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.782 2.033 . . . . 0.0 114.413 173.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -121.8 119.19 30.96 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.126 0.97 . . . . 0.0 108.392 155.737 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -69.94 24.94 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.965 0 N-CA-C 114.9 1.444 . . . . 0.0 114.9 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? 63.33 -63.7 0.12 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.655 1.982 . . . . 0.0 113.209 -172.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 66.64 -73.63 0.16 Allowed Glycine 0 CA--C 1.532 1.149 0 C-N-CA 124.528 1.061 . . . . 0.0 111.164 -173.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 41.4 t -73.57 58.95 0.61 Allowed 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.698 -0.883 . . . . 0.0 111.948 168.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 2.2 tt -76.49 62.44 1.88 Allowed 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 122.426 1.107 . . . . 0.0 108.913 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 63.2 tttt . . . . . 0 CA--C 1.535 0.401 0 O-C-N 120.989 -1.07 . . . . 0.0 112.208 -158.191 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 . . . . . 0 CA--C 1.542 0.637 0 CA-C-O 120.933 0.396 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 13.4 tpt -116.15 81.81 1.67 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.054 1.342 . . . . 0.0 110.605 166.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.69 55.24 0.66 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 130.61 3.564 . . . . 0.0 111.295 -168.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -78.93 34.64 0.23 Allowed 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 116.541 2.052 . . . . 0.0 116.541 -159.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -73.76 -176.64 2.48 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.048 0.539 . . . . 0.0 111.846 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.267 3.0 p 57.33 -9.62 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.979 0 N-CA-C 118.472 2.768 . . . . 0.0 118.472 167.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -72.89 65.35 0.73 Allowed 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.025 -1.672 . . . . 0.0 114.397 -176.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.8 mp -67.62 87.88 0.22 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.156 1.782 . . . . 0.0 110.324 161.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 m -86.13 168.65 13.83 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.401 1.48 . . . . 0.0 111.435 171.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.51 -54.88 1.47 Allowed 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 99.2 m -59.09 -65.85 0.6 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.715 1.206 . . . . 0.0 113.541 -177.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.8 pm0 -56.88 -36.59 70.28 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.158 -1.588 . . . . 0.0 112.318 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.2 t -61.33 -42.94 95.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 O-C-N 121.589 -0.694 . . . . 0.0 111.577 171.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.94 -44.8 94.16 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.182 0.993 . . . . 0.0 111.04 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.496 HG12 ' CE2' ' A' ' 79' ' ' TYR . 15.1 t -70.19 -35.38 62.99 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.58 -1.325 . . . . 0.0 111.312 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 mt -56.45 -36.07 68.6 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 167.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.79 -50.53 68.6 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.578 -0.701 . . . . 0.0 109.609 172.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.2 mt -53.71 -43.37 68.96 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 120.558 -1.339 . . . . 0.0 111.776 174.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.496 ' CE2' HG12 ' A' ' 75' ' ' VAL . 22.1 m-85 -54.68 -60.96 2.65 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 123.926 0.89 . . . . 0.0 112.154 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -75.82 -33.88 60.11 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.032 0.833 . . . . 0.0 112.602 -172.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -50.89 -48.56 60.34 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.357 -1.464 . . . . 0.0 110.974 162.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.406 ' HB3' HD13 ' A' ' 84' ' ' ILE . 27.7 m -71.15 -11.35 60.89 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.2 m120 69.8 42.36 1.07 Allowed 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 128.311 2.645 . . . . 0.0 111.824 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.406 HD13 ' HB3' ' A' ' 82' ' ' SER . 1.7 mp -111.38 109.27 27.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 C-N-CA 127.059 2.144 . . . . 0.0 107.822 174.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -66.98 155.1 39.47 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 118.16 -1.416 . . . . 0.0 111.672 162.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.7 mm -110.46 131.88 21.83 Favored Pre-proline 0 CA--C 1.546 0.809 0 C-N-CA 125.511 1.524 . . . . 0.0 108.698 167.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -57.58 133.02 53.91 Favored 'Trans proline' 0 CA--C 1.536 0.588 0 C-N-CA 122.728 2.285 . . . . 0.0 111.802 168.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.6 p -47.74 -43.76 27.39 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.304 1.041 . . . . 0.0 113.366 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -40.03 -61.92 0.8 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.607 1.163 . . . . 0.0 114.124 172.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.256 8.1 pt -67.13 -28.58 43.17 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 120.328 -1.482 . . . . 0.0 113.425 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.66 -47.79 87.73 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 119.972 1.26 . . . . 0.0 110.012 168.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -58.26 -57.81 11.24 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.277 0.631 . . . . 0.0 111.176 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -52.35 -53.26 46.87 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.794 0.838 . . . . 0.0 110.743 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.408 HD13 ' C ' ' A' ' 94' ' ' LEU . 1.3 tm? -51.23 -60.53 3.01 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.088 0.955 . . . . 0.0 111.474 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 71.1 t -52.85 -39.79 33.05 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.179 0.592 . . . . 0.0 111.465 174.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.13 -41.82 97.05 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -63.06 -39.2 94.01 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 119.296 0.953 . . . . 0.0 110.509 167.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.16 53.73 1.3 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.034 1.334 . . . . 0.0 111.561 173.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 30.3 mt -58.93 167.84 1.47 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.15 0.98 . . . . 0.0 112.79 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -87.2 -55.91 3.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.369 1.068 . . . . 0.0 110.896 -171.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.9 t -106.43 146.05 31.0 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -161.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.99 -46.09 2.02 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.695 1.998 . . . . 0.0 111.733 163.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.486 HE22 HD11 ' A' ' 106' ' ' LEU . 22.0 tp60 -64.92 -42.53 94.62 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 120.809 -1.182 . . . . 0.0 112.877 177.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -65.55 -44.09 87.86 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 123.126 0.57 . . . . 0.0 111.042 178.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.455 HG23 HG21 ' A' ' 75' ' ' VAL . 28.6 m -69.63 -39.73 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 O-C-N 121.667 -0.646 . . . . 0.0 110.071 -178.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.579 HD13 ' HD2' ' B' ' 126' ' ' ARG 0.254 1.0 OUTLIER -62.85 -38.18 89.8 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 117.777 -1.569 . . . . 0.0 112.259 171.177 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -57.77 -59.5 5.12 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.767 -1.208 . . . . 0.0 111.515 175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -61.07 -52.64 64.08 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.828 0.851 . . . . 0.0 111.713 -177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.6 mt -52.07 -53.38 18.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 121.432 -0.792 . . . . 0.0 110.715 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -55.32 -41.12 71.99 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.86 -1.15 . . . . 0.0 112.278 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 43.0 m -58.27 -58.03 10.29 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.671 -0.643 . . . . 0.0 112.036 173.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -64.8 -37.97 89.4 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.917 -1.115 . . . . 0.0 112.228 -178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.3 ttt180 -53.76 -28.03 32.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.08 1.752 . . . . 0.0 111.951 166.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.278 90.4 m -80.78 -40.22 25.46 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 118.89 -2.381 . . . . 0.0 114.532 170.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -55.36 9.62 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.593 1.088 . . . . 0.0 111.591 161.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 29.2 m95 -54.79 -40.94 69.96 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -51.94 -52.54 49.53 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.291 -1.506 . . . . 0.0 112.912 167.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 49.9 mt -54.73 -47.15 74.14 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 119.204 0.911 . . . . 0.0 112.557 175.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.466 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 78.3 mm-40 -54.54 -44.77 73.14 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 120.782 -1.199 . . . . 0.0 112.517 172.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -71.95 -19.19 61.93 Favored 'General case' 0 CA--C 1.549 0.936 0 O-C-N 120.255 -1.528 . . . . 0.0 113.024 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -82.04 -48.04 11.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.284 1.834 . . . . 0.0 113.135 177.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.466 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 49.1 mtmt -42.77 145.45 0.46 Allowed 'General case' 0 CA--C 1.555 1.166 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -172.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.79 143.88 57.08 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.409 1.483 . . . . 0.0 114.938 -178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -130.85 109.28 10.45 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.292 1.437 . . . . 0.0 109.35 172.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -73.06 -7.5 51.55 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 -171.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.5 mmp_? 67.69 -76.35 0.05 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 126.142 1.777 . . . . 0.0 114.656 176.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 64.48 -67.23 0.06 OUTLIER Glycine 0 CA--C 1.54 1.649 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -159.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.3 p -29.42 115.16 0.1 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 126.964 2.106 . . . . 0.0 113.532 163.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.6 mt -69.67 74.94 0.42 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.911 1.284 . . . . 0.0 114.307 -162.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.5 tptp . . . . . 0 CA--C 1.543 0.688 0 C-N-CA 126.855 2.062 . . . . 0.0 115.244 -178.506 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 82.2 mtp -95.54 -155.74 0.49 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.419 1.888 . . . . 0.0 109.035 160.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -38.66 117.51 0.65 Allowed 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.38 132.6 0.57 Allowed 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.432 1.893 . . . . 0.0 115.387 -171.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 49.6 p -63.62 86.57 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.204 1.402 . . . . 0.0 113.891 -167.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 40.1 t -71.98 79.8 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 O-C-N 120.692 -1.255 . . . . 0.0 108.581 163.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -58.13 102.93 0.12 Allowed 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp 74.71 70.04 0.09 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.484 1.514 . . . . 0.0 113.812 165.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -79.8 -171.39 2.84 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.993 1.317 . . . . 0.0 112.559 160.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.4 -67.39 0.31 Allowed 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 -167.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 30.3 p -59.57 -44.73 93.21 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.463 -0.773 . . . . 0.0 112.422 -174.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 9.9 pm0 -65.52 -41.27 93.3 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 120.804 -1.185 . . . . 0.0 111.935 176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -59.41 -48.57 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 120.583 -1.323 . . . . 0.0 111.064 174.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.96 -47.65 80.24 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 122.091 0.948 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 95.5 t -69.08 -38.01 77.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 O-C-N 121.472 -0.767 . . . . 0.0 111.938 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -42.05 80.2 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.703 1.201 . . . . 0.0 112.862 171.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.17 -39.69 95.39 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.433 -0.792 . . . . 0.0 110.144 176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.423 ' HB3' HD11 ' A' ' 124' ' ' LEU . 50.2 mt -53.94 -45.77 71.34 Favored 'General case' 0 C--N 1.344 0.331 0 O-C-N 120.551 -1.343 . . . . 0.0 110.535 171.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.446 ' HA ' ' CD2' ' A' ' 124' ' ' LEU . 39.4 m-85 -57.96 -54.37 47.71 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.581 -0.699 . . . . 0.0 112.214 174.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -81.53 -35.34 30.44 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -164.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -56.96 -34.07 67.68 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 119.451 -2.031 . . . . 0.0 111.679 161.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -78.97 -3.47 45.16 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.48 -1.387 . . . . 0.0 113.103 171.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 40.6 74.52 0.1 Allowed 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.862 2.865 . . . . 0.0 114.728 -160.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 17.6 mt -122.14 118.37 55.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 126.293 1.837 . . . . 0.0 110.976 164.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 69.6 mtp180 -70.18 143.29 52.3 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 118.684 -1.206 . . . . 0.0 111.06 162.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 25.7 mm -99.95 129.6 28.12 Favored Pre-proline 0 CA--C 1.542 0.662 0 C-N-CA 125.065 1.346 . . . . 0.0 108.83 164.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_exo -48.05 119.88 4.34 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.026 2.484 . . . . 0.0 112.419 172.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 3.5 p -28.3 -62.22 0.11 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 127.512 2.325 . . . . 0.0 113.549 177.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.46 -49.73 5.27 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.543 1.537 . . . . 0.0 114.18 177.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . 0.634 HG21 ' HB3' ' B' ' 112' ' ' GLN 0.271 14.8 pt -73.73 -28.94 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 O-C-N 120.256 -1.527 . . . . 0.0 112.742 178.473 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 14.4 mt -59.12 -49.33 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 CA-C-N 120.202 1.365 . . . . 0.0 109.868 165.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -51.34 -63.06 1.25 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.604 1.561 . . . . 0.0 110.384 178.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.53 -43.53 97.05 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 120.962 -1.087 . . . . 0.0 112.001 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.39 -46.37 83.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.103 -0.998 . . . . 0.0 111.97 176.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 25.2 t -58.5 -23.93 23.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 C-N-CA 125.271 1.429 . . . . 0.0 114.297 167.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -74.09 -55.23 6.35 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 119.932 -1.73 . . . . 0.0 110.689 166.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.15 -59.98 4.55 Favored 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -176.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 14.1 mtm105 48.5 74.25 0.18 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.012 1.325 . . . . 0.0 112.563 -167.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.01 148.58 43.51 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.139 168.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . 0.261 5.4 pp0? -72.31 -44.97 61.93 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 120.878 -1.139 . . . . 0.0 113.231 -163.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 27.6 t -95.68 150.09 20.75 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -40.24 -42.96 1.6 Allowed 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 126.636 1.975 . . . . 0.0 110.747 160.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -62.53 -41.52 98.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 121.267 -0.896 . . . . 0.0 112.4 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -71.99 -49.49 36.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 121.846 -0.534 . . . . 0.0 110.761 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 25.7 m -63.78 -38.16 81.59 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 C-N-CA 119.707 -0.797 . . . . 0.0 110.288 178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.7 pp -65.39 -39.35 92.12 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.213 -1.555 . . . . 0.0 111.564 174.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -55.43 -57.52 11.54 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 120.227 1.376 . . . . 0.0 111.661 172.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 40.7 t80 -51.52 -60.0 3.63 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.435 0.636 . . . . 0.0 111.493 176.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.0 mt -57.26 -50.56 76.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 O-C-N 121.286 -0.883 . . . . 0.0 111.378 -175.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.9 -42.64 97.4 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 120.823 -1.173 . . . . 0.0 112.081 -174.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 64.0 p -61.09 -50.33 73.71 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.368 -0.832 . . . . 0.0 111.775 170.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . 0.634 ' HB3' HG21 ' B' ' 90' ' ' ILE . 14.3 mm100 -64.52 -38.31 90.57 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.069 0.938 . . . . 0.0 112.751 -177.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 36.0 ttt180 -56.17 -37.89 70.18 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.909 1.683 . . . . 0.0 111.085 168.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 87.2 m -73.92 -38.14 64.39 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.234 -0.916 . . . . 0.0 113.403 174.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.05 -61.13 2.33 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.205 0.912 . . . . 0.0 110.405 162.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . 0.629 ' HE1' HG23 ' B' ' 90' ' ' ILE . 42.5 m95 -50.51 -44.69 56.25 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 23.1 ttpt -51.07 -52.27 45.01 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.243 -0.911 . . . . 0.0 112.262 174.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.75 -38.36 83.37 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.47 -42.67 83.02 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 120.339 -1.475 . . . . 0.0 111.96 175.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -72.11 -4.42 28.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.663 -1.273 . . . . 0.0 113.154 175.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -108.12 -39.58 5.46 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 127.401 2.28 . . . . 0.0 112.357 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 37.7 mtpt -47.87 147.18 2.08 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.326 1.85 . . . . 0.0 114.9 -175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.13 102.72 0.05 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.781 2.032 . . . . 0.0 116.197 -170.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.434 ' CD2' ' HA ' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -100.72 109.66 21.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.939 0.791 . . . . 0.0 109.462 162.862 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.59 -7.83 52.19 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -173.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.579 ' HD2' HD13 ' A' ' 106' ' ' LEU . 26.7 mmt85 71.83 -40.25 0.47 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.95 2.1 . . . . 0.0 114.686 176.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.3 43.49 6.99 Favored Glycine 0 CA--C 1.532 1.126 0 C-N-CA 124.673 1.13 . . . . 0.0 110.341 -166.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 6.0 t 61.13 -167.23 0.19 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.168 0.987 . . . . 0.0 113.084 -169.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 33.4 tp -78.12 133.32 37.87 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.889 1.276 . . . . 0.0 109.239 164.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp . . . . . 0 CA--C 1.536 0.44 0 O-C-N 121.417 -0.802 . . . . 0.0 112.319 -178.114 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 . . . . . 0 CA--C 1.543 0.711 0 N-CA-C 113.788 1.032 . . . . 0.0 113.788 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 54.8 ttp -158.85 160.41 36.14 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.826 2.051 . . . . 0.0 108.307 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -61.6 179.89 0.22 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.1 mttp -73.66 69.74 1.31 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.018 1.727 . . . . 0.0 115.066 -146.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.7 t -69.15 66.54 0.16 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.806 1.242 . . . . 0.0 111.753 168.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.3 p -74.88 59.15 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 -160.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -68.58 62.6 0.1 Allowed 'General case' 0 CA--C 1.546 0.827 0 O-C-N 119.879 -1.763 . . . . 0.0 112.83 166.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.1 mp -60.25 97.73 0.05 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.495 1.118 . . . . 0.0 110.54 167.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.3 t -110.39 -178.29 3.46 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.323 2.249 . . . . 0.0 111.783 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -34.17 -68.5 0.11 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 126.456 1.902 . . . . 0.0 115.108 -169.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.7 p -58.3 -61.99 2.16 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 113.99 1.108 . . . . 0.0 113.99 -175.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.1 pm0 -58.9 -39.85 82.71 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 120.319 -1.488 . . . . 0.0 112.255 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 96.5 t -60.9 -42.88 94.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.569 -0.707 . . . . 0.0 111.526 175.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.72 -50.49 66.73 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-O 122.354 1.073 . . . . 0.0 111.278 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.595 HG12 ' CE2' ' A' ' 79' ' ' TYR . 13.6 t -68.55 -27.87 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 O-C-N 120.349 -1.469 . . . . 0.0 111.177 -178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.7 mt -55.17 -31.32 61.28 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.564 1.32 . . . . 0.0 114.564 165.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -69.58 -52.38 26.65 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 170.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.5 mt -54.98 -33.88 62.85 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.189 -0.944 . . . . 0.0 112.293 178.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.691 ' CE1' HD12 ' B' ' 124' ' ' LEU . 29.3 m-85 -61.22 -61.76 2.32 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.323 1.449 . . . . 0.0 112.848 168.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -72.74 -35.64 67.55 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.856 1.207 . . . . 0.0 112.675 -172.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -61.08 -20.91 63.14 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.314 -1.491 . . . . 0.0 112.848 163.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.1 -9.28 58.73 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 119.832 -1.792 . . . . 0.0 114.688 165.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 62.68 43.32 7.49 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.344 2.657 . . . . 0.0 112.541 -165.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.2 mt -104.48 95.27 3.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 C-N-CA 124.528 1.131 . . . . 0.0 109.877 170.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.75 74.31 5.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.958 -177.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 30.0 mm -42.37 131.15 2.79 Favored Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 125.44 1.496 . . . . 0.0 113.508 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.14 146.9 32.69 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.494 2.129 . . . . 0.0 110.636 170.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 19.6 m -45.06 -42.99 9.1 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.64 1.576 . . . . 0.0 111.883 175.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.19 -4.44 21.62 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.585 1.554 . . . . 0.0 114.397 -174.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.1 mm -79.98 -56.47 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 O-C-N 120.623 -1.298 . . . . 0.0 109.314 156.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 72.2 mt -57.89 -45.2 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 124.592 1.157 . . . . 0.0 110.518 -169.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -37.71 -79.01 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.544 2.338 . . . . 0.0 112.887 164.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.29 -36.81 83.25 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.3 1.04 . . . . 0.0 111.499 -171.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -66.26 0.47 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.185 0.594 . . . . 0.0 112.078 172.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 75.3 t -53.57 -38.16 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 O-C-N 121.553 -0.717 . . . . 0.0 112.759 -175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -45.63 -38.79 7.0 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 171.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -74.77 -20.56 59.75 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.084 -1.01 . . . . 0.0 113.663 179.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 52.44 56.08 8.2 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.695 1.598 . . . . 0.0 113.976 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.1 mt -64.71 168.08 6.57 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 121.321 -0.862 . . . . 0.0 112.301 175.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -110.31 -55.58 2.44 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.169 1.174 . . . . 0.0 114.169 -166.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.2 p -103.31 164.81 11.41 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 123.562 1.648 . . . . 0.0 115.095 -177.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.401 ' OE2' ' NZ ' ' B' ' 130' ' ' LYS . 20.5 mp0 -57.4 -37.33 72.54 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.889 1.676 . . . . 0.0 111.656 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -60.42 -46.15 91.04 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.261 -0.9 . . . . 0.0 111.761 173.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.8 -47.27 81.52 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 121.392 -0.818 . . . . 0.0 111.0 -177.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 m -65.27 -41.17 90.82 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 C-N-CA 119.889 -0.724 . . . . 0.0 110.29 179.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 1.2 pp -65.64 -38.54 89.65 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.124 1.329 . . . . 0.0 111.999 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -60.16 -57.37 13.1 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.679 0.752 . . . . 0.0 110.45 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.411 ' CE1' ' HG3' ' A' ' 112' ' ' GLN . 28.2 t80 -58.68 -52.03 67.44 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.592 1.157 . . . . 0.0 111.772 -177.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.4 mt -55.07 -53.61 32.57 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.391 0 O-C-N 121.684 -0.635 . . . . 0.0 111.209 176.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -58.6 -40.44 83.24 Favored 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.689 -1.257 . . . . 0.0 112.226 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.1 m -57.9 -58.69 7.28 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.43 0.692 . . . . 0.0 112.312 171.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.411 ' HG3' ' CE1' ' A' ' 108' ' ' TYR . 12.9 mm100 -64.95 -25.25 67.79 Favored 'General case' 0 C--O 1.218 -0.56 0 O-C-N 120.861 -1.149 . . . . 0.0 113.117 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 40.9 ttt-85 -74.31 -16.5 60.93 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.517 1.927 . . . . 0.0 111.351 169.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.308 87.2 m -86.36 -36.51 19.18 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.04 -1.662 . . . . 0.0 114.081 164.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.69 -61.28 2.39 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.756 1.162 . . . . 0.0 110.85 160.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -53.37 -46.8 69.75 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -45.38 -50.42 12.31 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 120.691 -1.256 . . . . 0.0 113.287 167.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.79 -46.4 89.69 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.159 0.891 . . . . 0.0 112.599 173.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -65.76 -13.41 59.33 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.081 -1.637 . . . . 0.0 113.867 173.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -88.12 -4.0 58.81 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 119.571 -1.956 . . . . 0.0 113.121 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -120.77 -43.44 2.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.484 1.914 . . . . 0.0 113.224 -169.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -50.18 138.2 16.63 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.531 1.133 . . . . 0.0 113.286 -174.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.85 126.17 26.52 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.058 1.343 . . . . 0.0 114.082 -173.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.471 HD23 ' CE1' ' B' ' 79' ' ' TYR . 6.4 tp -116.07 121.19 41.46 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 151.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.62 14.73 0.07 Allowed 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 127.376 2.271 . . . . 0.0 116.333 -176.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.428 ' HE ' HD13 ' B' ' 106' ' ' LEU . 6.5 mmm180 68.48 -63.17 0.35 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.018 1.727 . . . . 0.0 114.085 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.28 -74.1 0.4 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.114 0.864 . . . . 0.0 113.429 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 41.5 t -75.9 63.19 1.68 Allowed 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.388 -1.066 . . . . 0.0 113.463 -173.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 91.9 mt -75.38 61.13 1.2 Allowed 'General case' 0 CA--C 1.545 0.761 0 O-C-N 120.75 -1.219 . . . . 0.0 113.351 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? . . . . . 0 CA--C 1.543 0.703 0 O-C-N 120.236 -1.54 . . . . 0.0 110.93 172.303 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 29.7 t-80 . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 121.487 0.66 . . . . 0.0 111.56 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 89.7 mmm -75.6 57.34 0.96 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.751 1.22 . . . . 0.0 112.697 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -71.65 160.86 31.91 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.242 0.617 . . . . 0.0 111.705 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -33.33 116.53 0.25 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.821 2.449 . . . . 0.0 113.494 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 7.8 t -75.31 53.7 0.67 Allowed 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.036 -1.04 . . . . 0.0 113.273 176.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 9.4 p -116.22 171.59 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 126.644 1.978 . . . . 0.0 111.871 -175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -67.76 132.9 48.31 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.469 -0.769 . . . . 0.0 111.812 170.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.4 mp 47.44 72.23 0.27 Allowed 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.251 1.42 . . . . 0.0 113.94 -174.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.4 t -99.49 -172.82 2.33 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.176 1.79 . . . . 0.0 112.061 170.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.55 -62.48 1.42 Allowed 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.082 1.512 . . . . 0.0 115.082 -164.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 p -58.34 -57.79 11.37 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -174.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 pm0 -59.38 -39.81 84.53 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.818 -1.176 . . . . 0.0 112.575 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.61 -46.9 95.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.289 -0.882 . . . . 0.0 111.482 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.88 -44.07 91.06 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.956 0.884 . . . . 0.0 111.061 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.518 HG12 ' CE2' ' B' ' 79' ' ' TYR . 20.8 t -73.03 -32.34 38.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.083 -1.011 . . . . 0.0 111.832 177.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 18.4 mt -54.89 -29.1 54.99 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 120.48 -1.388 . . . . 0.0 114.35 166.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.78 -51.62 13.63 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 173.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 68.6 mt -47.78 -44.75 28.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.599 -1.313 . . . . 0.0 112.19 171.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.518 ' CE2' HG12 ' B' ' 75' ' ' VAL . 20.0 m-85 -51.5 -57.11 9.94 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 121.122 -0.986 . . . . 0.0 112.46 172.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.253 9.2 mm-40 -81.33 -26.68 35.4 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -173.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -46.72 -46.34 20.18 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.115 -1.616 . . . . 0.0 109.875 155.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.6 m -78.28 -7.34 57.08 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.279 9.8 t-20 51.05 80.63 0.08 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 130.356 3.462 . . . . 0.0 116.342 -163.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 4.0 mp -136.43 110.37 9.56 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.088 1.755 . . . . 0.0 110.001 170.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -64.87 134.22 53.56 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 118.691 -1.204 . . . . 0.0 108.664 159.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 30.3 mm -96.56 132.32 26.57 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 124.944 1.298 . . . . 0.0 109.306 171.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.12 141.4 87.45 Favored 'Trans proline' 0 N--CA 1.456 -0.702 0 C-N-CA 122.168 1.912 . . . . 0.0 112.617 175.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 27.1 m -43.95 -49.48 8.49 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.784 1.234 . . . . 0.0 111.195 166.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -49.17 -47.07 46.1 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 174.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 17.7 mm -55.28 -54.08 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.692 -1.255 . . . . 0.0 109.824 172.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.7 mt -57.62 -44.73 85.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 121.989 -0.445 . . . . 0.0 110.743 -173.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -49.15 -70.88 0.08 Allowed 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.273 1.029 . . . . 0.0 111.693 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -52.95 -51.88 59.94 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.638 1.175 . . . . 0.0 111.331 -174.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.2 -55.26 22.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.986 1.314 . . . . 0.0 111.946 177.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 55.6 t -58.75 -41.29 82.08 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 O-C-N 121.12 -0.987 . . . . 0.0 112.155 174.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -60.28 -49.44 77.6 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.823 0.849 . . . . 0.0 112.592 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -63.46 -28.05 69.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.371 -0.831 . . . . 0.0 112.304 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? 66.56 44.38 2.3 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.345 1.058 . . . . 0.0 113.555 164.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.01 155.58 19.78 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.574 0.75 . . . . 0.0 111.231 174.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -131.87 34.96 3.8 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.275 -0.89 . . . . 0.0 112.12 -168.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 30.0 t -160.82 135.14 7.2 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 121.527 -0.733 . . . . 0.0 111.483 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 43.5 mp0 -52.38 -47.42 66.19 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.222 1.809 . . . . 0.0 111.823 -176.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -63.5 -42.26 98.51 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.887 -1.133 . . . . 0.0 111.861 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -69.66 -34.13 73.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 120.61 -1.306 . . . . 0.0 111.254 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 22.1 m -67.31 -47.32 81.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 119.569 -0.852 . . . . 0.0 110.823 168.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.46 ' HB3' HG11 ' B' ' 75' ' ' VAL . 1.6 pp -63.2 -29.88 71.14 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 120.111 -1.618 . . . . 0.0 113.061 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -64.28 -62.3 1.7 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.116 0.966 . . . . 0.0 110.922 169.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -57.49 -50.4 73.18 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.515 0.726 . . . . 0.0 111.44 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -51.69 -54.58 12.12 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 C-N-CA 123.03 0.532 . . . . 0.0 110.852 175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.35 -37.28 80.19 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.903 -1.123 . . . . 0.0 112.471 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 28.2 m -58.41 -59.36 5.47 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.778 0.831 . . . . 0.0 111.838 172.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -65.76 -32.15 73.54 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.893 -1.129 . . . . 0.0 112.08 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 35.9 ttt180 -61.19 -29.5 69.84 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.313 -1.492 . . . . 0.0 111.246 168.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.271 87.8 m -80.47 -37.52 31.7 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.272 -1.518 . . . . 0.0 114.049 173.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -48.77 -60.33 2.82 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.026 0.83 . . . . 0.0 110.749 157.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 27.3 m95 -50.04 -46.31 52.95 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 178.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.7 ttpm? -50.54 -47.23 57.69 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.662 -0.649 . . . . 0.0 112.608 173.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.6 mt -72.56 -40.32 66.76 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 118.756 0.707 . . . . 0.0 112.873 175.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -56.75 -33.17 66.3 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.025 -1.672 . . . . 0.0 112.087 173.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -78.02 -7.95 57.54 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 120.277 -1.514 . . . . 0.0 114.279 172.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -92.62 -48.61 6.52 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.125 1.77 . . . . 0.0 112.481 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -41.95 143.96 0.49 Allowed 'General case' 0 CA--C 1.554 1.096 0 N-CA-C 115.782 1.771 . . . . 0.0 115.782 -170.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.33 135.18 57.62 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.289 1.435 . . . . 0.0 114.77 178.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.691 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -110.13 123.51 49.86 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 123.748 0.819 . . . . 0.0 109.41 155.675 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.1 29.26 0.05 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? 63.07 -53.4 0.18 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 128.179 2.592 . . . . 0.0 116.174 -178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 104.29 47.23 1.24 Allowed Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.155 1.36 . . . . 0.0 110.848 -166.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 59.6 p 48.54 -112.3 0.49 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.303 1.041 . . . . 0.0 112.264 -167.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 64.7 tp -116.64 117.91 31.12 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.922 1.689 . . . . 0.0 109.303 171.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . 0.401 ' NZ ' ' OE2' ' A' ' 102' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.544 0.714 0 C-N-CA 125.611 1.564 . . . . 0.0 114.253 -173.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 91.0 mtp -68.09 131.62 45.75 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.899 -0.501 . . . . 0.0 109.726 164.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -71.5 119.83 16.2 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 -171.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -83.87 50.52 1.84 Allowed 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.572 -1.33 . . . . 0.0 111.511 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . 0.256 13.8 t 45.74 -169.28 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.333 1.853 . . . . 0.0 114.988 -172.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.4 p -45.89 -65.64 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -164.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -83.94 122.0 28.14 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.1 -1.0 . . . . 0.0 113.424 -169.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.453 ' H ' ' CG2' ' A' ' 95' ' ' VAL . 7.0 mp 50.41 74.19 0.23 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.885 2.074 . . . . 0.0 112.367 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.7 t -86.24 -175.14 5.39 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.057 1.343 . . . . 0.0 113.357 171.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.74 -50.36 66.14 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 114.196 1.184 . . . . 0.0 114.196 -167.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 13.1 p -69.94 -48.65 57.59 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.315 -0.866 . . . . 0.0 113.331 -172.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -69.19 -35.08 75.87 Favored 'General case' 0 N--CA 1.446 -0.663 0 C-N-CA 124.373 1.069 . . . . 0.0 110.602 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.36 -47.01 82.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 O-C-N 120.991 -1.068 . . . . 0.0 111.418 172.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.81 -34.54 65.43 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 123.219 1.485 . . . . 0.0 111.985 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.402 HG12 ' CE2' ' A' ' 79' ' ' TYR . 3.6 t -74.95 -36.81 39.97 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 O-C-N 120.567 -1.333 . . . . 0.0 113.001 173.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.87 -32.81 72.23 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.272 1.429 . . . . 0.0 114.22 171.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -67.52 -55.57 12.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.769 -1.196 . . . . 0.0 107.769 175.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.22 -37.42 82.97 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.621 -1.299 . . . . 0.0 113.037 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.502 ' CD1' HD22 ' B' ' 124' ' ' LEU . 3.9 m-85 -47.77 -50.07 26.71 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 120.952 -1.092 . . . . 0.0 112.221 165.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -78.6 -31.67 47.23 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -174.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -56.08 -29.43 60.56 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 119.282 -2.136 . . . . 0.0 111.818 158.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.1 m -85.99 -4.63 59.21 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.284 -1.51 . . . . 0.0 115.073 168.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 46.5 62.05 2.49 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 128.759 2.824 . . . . 0.0 114.148 -163.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.4 mt -118.48 97.74 5.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 C-N-CA 125.91 1.684 . . . . 0.0 111.116 173.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.4 ttp85 -71.26 108.19 4.62 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.081 -1.012 . . . . 0.0 110.329 175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.8 mm -71.77 124.61 91.16 Favored Pre-proline 0 CA--C 1.545 0.777 0 O-C-N 119.297 -2.127 . . . . 0.0 111.007 175.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.445 ' CD ' HH12 ' A' ' 113' ' ' ARG . 14.4 Cg_endo -71.74 148.57 52.89 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.102 1.868 . . . . 0.0 109.782 172.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -30.95 -43.06 0.04 OUTLIER 'General case' 0 C--O 1.222 -0.369 0 C-N-CA 127.092 2.157 . . . . 0.0 113.056 163.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -79.89 -5.58 55.82 Favored 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 127.0 2.12 . . . . 0.0 112.886 -166.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 6.7 mm -81.2 -45.43 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 119.786 -1.821 . . . . 0.0 109.958 155.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 68.1 mt -71.92 -35.67 55.21 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 123.878 0.871 . . . . 0.0 111.077 -167.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -31.41 -55.78 0.25 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.661 2.784 . . . . 0.0 112.024 165.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.12 -68.0 0.63 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.928 2.491 . . . . 0.0 110.537 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.453 HD23 ' CD1' ' A' ' 108' ' ' TYR . 1.2 tm? -60.17 -47.24 86.76 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -158.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.453 ' CG2' ' H ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -54.25 -26.98 16.25 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 N-CA-C 114.444 1.275 . . . . 0.0 114.444 -174.416 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -73.22 -60.48 2.22 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.362 0.601 . . . . 0.0 110.798 172.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -94.42 53.83 1.74 Allowed 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.968 0.907 . . . . 0.0 112.209 -176.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.42 34.0 0.17 Allowed 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -169.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.1 mt 51.94 -154.02 0.19 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.642 0.777 . . . . 0.0 113.063 167.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -111.3 -52.56 2.78 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.048 1.339 . . . . 0.0 111.509 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.2 m -113.7 152.38 30.56 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -168.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -39.24 -54.39 1.81 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.273 1.029 . . . . 0.0 112.665 165.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -55.87 -39.97 72.28 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 121.606 -0.684 . . . . 0.0 111.825 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -69.23 -49.99 51.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 121.871 -0.518 . . . . 0.0 110.704 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.5 -36.05 76.22 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.429 0 C-N-CA 119.617 -0.833 . . . . 0.0 110.831 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.492 HD22 ' HG3' ' B' ' 126' ' ' ARG 0.28 2.3 pp -70.59 -39.04 74.06 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 120.078 1.308 . . . . 0.0 113.196 174.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -53.97 -56.35 18.62 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.468 1.031 . . . . 0.0 110.923 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.453 ' CD1' HD23 ' A' ' 94' ' ' LEU . 50.2 t80 -55.73 -57.48 11.84 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 124.929 1.292 . . . . 0.0 112.088 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 83.8 mt -55.32 -47.38 77.98 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.395 0 C-N-CA 123.889 0.876 . . . . 0.0 111.632 178.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -60.65 -37.99 83.33 Favored 'General case' 0 CA--C 1.551 1.007 0 CA-C-N 120.659 1.572 . . . . 0.0 112.358 176.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.4 m -61.06 -60.42 3.8 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.617 -0.677 . . . . 0.0 112.049 171.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -56.62 -34.64 67.44 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.197 0.999 . . . . 0.0 112.243 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' A' ' 87' ' ' PRO . 0.3 OUTLIER -64.2 -30.49 71.55 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.471 -1.393 . . . . 0.0 111.525 172.765 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.252 54.9 m -77.98 -35.67 49.83 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.537 -1.352 . . . . 0.0 113.765 169.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -50.66 -57.72 7.57 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-N 119.722 1.146 . . . . 0.0 111.199 161.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -54.85 -44.11 73.69 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.733 -1.229 . . . . 0.0 113.413 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -47.65 -49.85 26.27 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 120.576 -1.328 . . . . 0.0 111.192 168.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 85.8 mt -64.92 -42.48 94.67 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 175.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -54.16 -29.85 47.05 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 119.784 -1.822 . . . . 0.0 112.153 168.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -86.7 6.04 33.17 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.377 -1.452 . . . . 0.0 113.714 175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -122.74 -32.13 3.6 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 127.635 2.374 . . . . 0.0 112.713 -177.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -46.97 145.25 2.13 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.169 1.388 . . . . 0.0 114.174 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.88 132.45 47.39 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 125.513 1.525 . . . . 0.0 114.964 175.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.694 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -110.22 123.08 49.13 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.929 0.892 . . . . 0.0 109.109 152.121 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -74.9 30.58 0.09 Allowed 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.323 -1.486 . . . . 0.0 114.32 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? 63.78 -67.88 0.09 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.164 1.786 . . . . 0.0 113.724 -176.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.38 -73.74 0.42 Allowed Glycine 0 CA--C 1.535 1.327 0 O-C-N 121.558 -0.713 . . . . 0.0 112.401 -173.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 97.7 p -76.54 67.29 2.68 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.337 -1.096 . . . . 0.0 112.465 -177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 92.2 mt -73.52 60.18 0.64 Allowed 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.004 -1.06 . . . . 0.0 111.053 171.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 76.3 tttt . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 124.058 0.943 . . . . 0.0 112.786 -165.716 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 20.3 t60 . . . . . 0 CA--C 1.542 0.651 0 CA-C-O 121.381 0.61 . . . . 0.0 111.565 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 40.3 ttm -74.39 54.65 0.59 Allowed 'General case' 0 CA--C 1.547 0.846 0 O-C-N 120.968 -1.083 . . . . 0.0 110.293 168.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -85.3 101.08 12.24 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.083 -1.01 . . . . 0.0 112.225 -162.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.435 ' H ' ' HD3' ' B' ' 64' ' ' LYS . 0.0 OUTLIER -49.95 79.22 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.924 2.089 . . . . 0.0 114.196 178.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 85.6 m 58.34 124.33 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.606 1.562 . . . . 0.0 111.622 -154.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 15.0 p -46.4 130.59 3.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.762 0 C-N-CA 124.774 1.229 . . . . 0.0 113.158 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -71.2 68.84 0.5 Allowed 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -172.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.83 93.01 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.88 1.672 . . . . 0.0 110.447 157.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -97.02 176.92 5.78 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.867 1.267 . . . . 0.0 112.542 170.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.23 -61.64 0.86 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.696 1.598 . . . . 0.0 115.039 -168.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.9 p -61.93 -55.84 25.34 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -175.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 pm0 -62.14 -35.2 78.03 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 120.876 -1.14 . . . . 0.0 112.192 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.58 -51.04 75.29 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 O-C-N 121.27 -0.894 . . . . 0.0 111.185 173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.84 -38.03 69.5 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 122.326 1.06 . . . . 0.0 111.496 177.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.8 t -72.0 -36.97 59.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 O-C-N 121.537 -0.727 . . . . 0.0 112.482 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 11.1 mt -62.37 -27.82 69.34 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 120.932 -1.105 . . . . 0.0 113.96 168.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.67 -51.75 13.52 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.781 -0.574 . . . . 0.0 109.742 173.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 42.5 mt -46.51 -41.41 14.12 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.646 -1.284 . . . . 0.0 111.684 168.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.694 ' CE1' HD12 ' A' ' 124' ' ' LEU . 19.9 m-85 -56.79 -56.23 24.21 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 169.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -75.11 -28.86 60.41 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 121.671 2.032 . . . . 0.0 114.14 -176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -49.78 -45.91 50.25 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 120.169 -1.582 . . . . 0.0 110.606 159.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.3 p -77.3 -6.18 52.23 Favored 'General case' 0 CA--C 1.548 0.89 0 O-C-N 121.013 -1.054 . . . . 0.0 113.658 175.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 42.52 69.82 0.34 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 128.608 2.763 . . . . 0.0 115.045 -159.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 62.7 mt -117.37 109.53 27.98 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 125.331 1.452 . . . . 0.0 112.667 167.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -69.78 121.5 17.35 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.745 -1.222 . . . . 0.0 110.459 167.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 48.7 mm -90.34 121.49 68.46 Favored Pre-proline 0 CA--C 1.543 0.696 0 O-C-N 119.987 -1.695 . . . . 0.0 110.207 171.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.53 126.16 21.05 Favored 'Trans proline' 0 N--CA 1.457 -0.672 0 C-N-CA 121.636 1.557 . . . . 0.0 111.502 170.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.9 m -41.32 -41.34 1.91 Allowed 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.998 2.119 . . . . 0.0 113.885 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -49.57 -45.25 47.51 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 124.233 1.013 . . . . 0.0 113.441 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 13.4 mm -50.06 -53.97 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 122.215 1.007 . . . . 0.0 110.522 169.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 41.0 mt -64.87 -46.84 90.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.209 -170.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -48.9 -63.7 1.02 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.206 1.002 . . . . 0.0 111.499 176.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -54.65 -55.48 29.2 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 121.719 -0.613 . . . . 0.0 109.886 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.459 HD23 ' CD2' ' B' ' 108' ' ' TYR . 0.9 OUTLIER -53.01 -49.07 66.98 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -175.512 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 13.4 t -49.36 -38.19 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 124.733 1.213 . . . . 0.0 113.754 172.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 -72.8 -58.35 3.4 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.647 0.779 . . . . 0.0 111.897 171.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -52.73 -48.64 66.54 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.106 1.362 . . . . 0.0 112.802 -174.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 21.7 ttm-85 61.27 75.63 0.4 Allowed 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 164.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 mt -68.83 173.32 5.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.646 0.779 . . . . 0.0 112.255 172.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -75.14 -35.96 61.62 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.081 -1.012 . . . . 0.0 112.994 -170.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 26.2 p -145.86 164.33 32.29 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 116.876 2.176 . . . . 0.0 116.876 -172.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -36.95 -54.03 0.95 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.522 2.729 . . . . 0.0 112.602 170.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -56.57 -47.18 80.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 122.141 0.972 . . . . 0.0 111.86 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -68.77 -44.37 73.8 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 121.794 -0.566 . . . . 0.0 110.781 -177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -66.11 -39.02 83.29 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.322 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.637 178.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.301 3.7 pp -63.97 -39.6 94.51 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.794 1.634 . . . . 0.0 112.204 174.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -60.38 -53.37 58.39 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.286 -0.884 . . . . 0.0 111.643 175.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . 0.459 ' CD2' HD23 ' B' ' 94' ' ' LEU . 72.0 t80 -57.05 -55.56 33.1 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.997 1.319 . . . . 0.0 112.239 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 60.4 mt -49.09 -53.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 124.204 1.002 . . . . 0.0 111.224 175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -62.64 -40.4 96.88 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.182 -0.949 . . . . 0.0 112.867 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 52.3 m -54.26 -53.62 51.24 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 121.18 -0.95 . . . . 0.0 111.709 170.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.26 -28.27 69.05 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.009 -1.057 . . . . 0.0 112.295 174.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . 0.297 0.0 OUTLIER -79.51 -4.43 51.31 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.251 -1.53 . . . . 0.0 113.545 171.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.317 12.4 m -83.09 -36.95 24.45 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 119.634 -1.916 . . . . 0.0 112.951 156.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -54.39 -64.42 0.83 Allowed 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.469 1.032 . . . . 0.0 111.846 160.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -55.43 -38.52 69.09 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.004 -1.06 . . . . 0.0 113.622 -177.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -48.26 -57.13 6.39 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.616 -1.303 . . . . 0.0 112.653 164.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.96 -39.72 90.62 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.034 0.834 . . . . 0.0 112.217 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -57.5 -27.96 63.02 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 120.528 -1.358 . . . . 0.0 112.63 170.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -91.56 25.9 2.5 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.997 1.719 . . . . 0.0 112.627 170.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -146.35 -18.98 0.43 Allowed 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -174.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -68.45 50.26 0.07 Allowed 'General case' 0 CA--C 1.563 1.466 0 N-CA-C 117.078 2.251 . . . . 0.0 117.078 -173.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.18 91.97 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 118.768 2.877 . . . . 0.0 118.768 164.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.502 HD22 ' CD1' ' A' ' 79' ' ' TYR . 17.5 tp -81.96 93.05 6.86 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.245 -1.535 . . . . 0.0 112.058 167.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -63.28 -43.84 96.78 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.822 0.849 . . . . 0.0 112.116 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.492 ' HG3' HD22 ' A' ' 106' ' ' LEU . 0.0 OUTLIER 76.29 -40.92 0.4 Allowed 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 126.28 1.832 . . . . 0.0 114.794 170.161 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 89.92 -56.92 3.7 Favored Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 99.3 p -69.18 74.39 0.33 Allowed 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.67 -0.9 . . . . 0.0 110.1 161.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 59.1 tp -52.98 123.04 10.53 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.678 1.591 . . . . 0.0 113.608 -171.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt . . . . . 0 CA--C 1.541 0.604 0 O-C-N 121.637 -0.664 . . . . 0.0 112.678 175.776 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.545 0.75 0 N-CA-C 116.159 1.911 . . . . 0.0 116.159 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.5 ttp -48.13 104.61 0.06 Allowed 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -71.48 171.16 11.82 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.763 1.625 . . . . 0.0 112.345 173.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.3 mtmm -22.86 100.87 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 127.895 2.478 . . . . 0.0 113.441 162.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.7 p -77.67 58.38 1.8 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.952 1.301 . . . . 0.0 112.501 -174.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -84.51 -23.27 7.62 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 124.804 1.241 . . . . 0.0 111.175 165.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -90.88 174.64 7.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.027 1.331 . . . . 0.0 111.579 172.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.273 5.0 tp 65.66 48.73 1.89 Allowed 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 122.64 1.209 . . . . 0.0 109.303 -135.021 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.6 t -118.2 -167.35 1.34 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 128.196 2.598 . . . . 0.0 110.725 173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -28.26 -69.76 0.05 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.355 2.262 . . . . 0.0 116.256 -164.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.08 -57.85 9.25 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -175.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pm0 -63.13 -29.78 71.07 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 120.517 -1.365 . . . . 0.0 112.864 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 71.9 t -67.55 -42.42 86.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 O-C-N 120.611 -1.306 . . . . 0.0 111.712 170.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.01 -35.29 79.75 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 122.791 1.282 . . . . 0.0 111.43 172.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.734 HG21 HG23 ' A' ' 105' ' ' VAL . 12.7 t -62.47 -36.58 75.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 119.296 -2.128 . . . . 0.0 111.628 169.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -34.63 58.66 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 166.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.1 -45.06 78.39 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.505 -0.747 . . . . 0.0 110.528 176.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.568 ' HB3' HD11 ' B' ' 124' ' ' LEU . 6.3 mt -63.25 -36.55 84.04 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.108 -0.995 . . . . 0.0 111.33 174.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.739 ' CE1' HD12 ' B' ' 124' ' ' LEU . 18.2 m-85 -59.79 -45.33 92.65 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 120.777 -1.202 . . . . 0.0 113.316 167.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -58.76 -50.86 72.35 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.891 0.769 . . . . 0.0 110.382 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -53.26 -40.22 64.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.082 1.353 . . . . 0.0 112.481 170.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 m -80.3 1.27 29.34 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 114.179 1.178 . . . . 0.0 114.179 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 52.43 58.04 5.81 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.301 1.44 . . . . 0.0 111.735 -171.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.552 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 25.4 mt -121.23 113.3 39.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 O-C-N 120.871 -1.143 . . . . 0.0 112.651 -174.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -78.94 128.91 33.9 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.988 -1.07 . . . . 0.0 110.323 168.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 42.2 mm -93.01 122.91 62.61 Favored Pre-proline 0 CA--C 1.542 0.663 0 O-C-N 120.898 -1.127 . . . . 0.0 111.276 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.6 141.71 73.78 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 122.376 2.05 . . . . 0.0 112.521 168.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 p -36.63 -51.37 0.85 Allowed 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 124.481 1.112 . . . . 0.0 110.906 156.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.5 3.05 4.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 -175.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.1 mm -84.54 -50.43 14.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 O-C-N 120.597 -1.315 . . . . 0.0 108.979 155.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.76 -46.61 91.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 125.048 1.339 . . . . 0.0 110.074 -170.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -37.27 -37.58 0.18 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 129.173 2.989 . . . . 0.0 113.37 167.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -91.28 -62.96 1.33 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.697 1.599 . . . . 0.0 113.169 173.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.422 HD23 ' CD1' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -54.07 -45.87 71.83 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.468 1.107 . . . . 0.0 113.594 -171.214 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.4 t -54.11 -21.99 6.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 C-N-CA 124.624 1.17 . . . . 0.0 112.905 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -74.52 -44.42 51.32 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.137 -0.977 . . . . 0.0 112.098 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -65.98 -59.05 4.21 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -168.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? 62.24 81.0 0.21 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.977 1.311 . . . . 0.0 112.034 -169.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.3 mt -74.21 175.57 7.44 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 122.955 0.502 . . . . 0.0 111.069 173.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -77.54 -47.02 20.55 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.479 -0.763 . . . . 0.0 111.405 -175.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.0 t -116.89 148.36 41.38 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.899 1.444 . . . . 0.0 114.899 -166.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -42.68 -48.01 5.44 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.658 1.583 . . . . 0.0 110.807 161.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -60.68 -40.89 93.82 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.742 -1.224 . . . . 0.0 112.684 177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -67.89 -45.94 73.03 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.808 -0.557 . . . . 0.0 111.475 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.734 HG23 HG21 ' A' ' 75' ' ' VAL 0.272 33.4 m -64.67 -37.74 80.88 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.168 0 C-N-CA 119.02 -1.072 . . . . 0.0 111.402 177.117 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.409 ' HB3' HG13 ' A' ' 75' ' ' VAL 0.318 4.5 pp -66.13 -36.41 83.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 118.028 -1.469 . . . . 0.0 113.408 173.164 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -58.75 -57.45 12.96 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 120.775 -1.203 . . . . 0.0 111.596 171.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.422 ' CD1' HD23 ' A' ' 94' ' ' LEU . 40.5 t80 -53.19 -54.18 39.67 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.855 1.262 . . . . 0.0 111.481 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 95.2 mt -58.81 -47.59 88.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 O-C-N 121.406 -0.808 . . . . 0.0 111.809 178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -52.99 -41.48 64.65 Favored 'General case' 0 CA--C 1.553 1.093 0 O-C-N 120.103 -1.623 . . . . 0.0 112.097 172.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 20.1 m -61.89 -57.27 12.43 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.503 0.721 . . . . 0.0 112.241 174.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -60.95 -23.75 65.54 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.62 -1.3 . . . . 0.0 112.814 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.552 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 14.9 ttt-85 -76.84 -21.35 55.17 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 119.817 -1.802 . . . . 0.0 112.557 170.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 59.5 m -72.05 -47.02 54.73 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 120.423 -1.423 . . . . 0.0 112.768 163.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -47.73 -61.2 2.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.252 0.933 . . . . 0.0 110.718 162.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -53.66 -46.17 70.5 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.891 1.441 . . . . 0.0 114.891 -177.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -39.65 79.6 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.616 -1.302 . . . . 0.0 112.519 173.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 39.7 mt -62.25 -47.22 85.32 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.319 -0.863 . . . . 0.0 112.857 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -58.36 -33.61 69.76 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 119.885 -1.759 . . . . 0.0 112.382 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -73.07 -9.09 58.36 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.007 -1.683 . . . . 0.0 114.004 172.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -112.4 -40.76 4.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.717 2.007 . . . . 0.0 113.614 -173.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -42.96 143.03 0.8 Allowed 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.317 1.847 . . . . 0.0 114.87 -176.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 138.4 56.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 125.351 1.46 . . . . 0.0 114.094 173.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.461 HD21 ' HB3' ' B' ' 78' ' ' LEU . 4.4 tt -139.17 115.91 10.75 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.986 1.715 . . . . 0.0 108.122 166.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -74.32 27.19 0.08 Allowed 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 115.91 1.819 . . . . 0.0 115.91 -166.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? 68.44 -54.12 0.54 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 126.586 1.954 . . . . 0.0 114.899 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.6 -75.3 0.41 Allowed Glycine 0 CA--C 1.534 1.262 0 C-N-CA 124.496 1.046 . . . . 0.0 112.429 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 35.6 t -82.64 153.31 25.48 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.448 0.642 . . . . 0.0 111.589 171.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.2 tp -163.39 111.64 1.23 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.078 1.351 . . . . 0.0 110.028 179.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt . . . . . 0 CA--C 1.54 0.561 0 O-C-N 120.615 -1.303 . . . . 0.0 111.337 -174.892 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 36.2 t60 . . . . . 0 CA--C 1.541 0.628 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 29.6 ttm -144.77 14.21 1.53 Allowed 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 122.974 1.369 . . . . 0.0 114.396 159.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -63.11 176.84 0.68 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.94 2.496 . . . . 0.0 111.863 171.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -142.01 158.11 44.14 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.636 1.174 . . . . 0.0 111.456 -176.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 9.9 t -143.37 -152.05 0.39 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 125.486 1.514 . . . . 0.0 109.344 -177.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 39.0 t -65.62 79.45 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 O-C-N 120.779 -1.201 . . . . 0.0 109.74 169.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -95.36 141.75 28.56 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.185 1.794 . . . . 0.0 114.599 -167.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.271 6.6 mp 46.78 59.56 3.88 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 122.952 1.358 . . . . 0.0 112.034 -170.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.6 t -74.56 174.59 8.8 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.453 1.101 . . . . 0.0 111.808 165.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.83 -55.72 6.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.063 1.345 . . . . 0.0 113.53 -175.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 26.1 p -59.68 -59.61 5.16 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.1 pm0 -65.13 -32.89 74.81 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 121.231 1.832 . . . . 0.0 112.96 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.1 t -59.11 -47.67 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 119.003 0.819 . . . . 0.0 110.959 170.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.56 -45.91 87.99 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 121.257 0.551 . . . . 0.0 110.57 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.487 HG12 ' CE2' ' B' ' 79' ' ' TYR . 6.2 t -67.74 -39.2 81.6 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 O-C-N 121.152 -0.968 . . . . 0.0 111.266 177.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 23.8 mt -53.38 -30.14 38.26 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.918 1.287 . . . . 0.0 114.46 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -78.62 -48.15 15.68 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 175.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.461 ' HB3' HD21 ' A' ' 124' ' ' LEU . 29.6 mt -51.72 -40.13 59.63 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 119.838 -1.789 . . . . 0.0 112.599 169.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.487 ' CE2' HG12 ' B' ' 75' ' ' VAL . 25.7 m-85 -49.12 -60.69 2.58 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 118.485 -0.769 . . . . 0.0 111.22 170.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -80.68 -27.75 36.98 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 -174.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -48.23 -45.9 34.69 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 120.033 -1.667 . . . . 0.0 110.358 160.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.6 p -80.25 -1.15 39.45 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 121.285 -0.884 . . . . 0.0 113.23 177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 54.3 58.25 5.13 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 128.161 2.584 . . . . 0.0 113.355 -170.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 60.4 mt -116.71 117.84 56.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 125.06 1.344 . . . . 0.0 111.267 162.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 -70.99 131.54 43.83 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 160.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 6.2 mm -88.16 134.33 35.11 Favored Pre-proline 0 CA--C 1.541 0.634 0 O-C-N 120.866 -1.146 . . . . 0.0 109.016 167.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.02 137.66 19.77 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 121.077 1.185 . . . . 0.0 110.222 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 4.8 m -46.36 -42.78 15.42 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.437 1.895 . . . . 0.0 112.764 -173.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -44.59 -58.84 2.77 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.975 1.31 . . . . 0.0 113.577 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.0 pt -70.05 -22.7 24.65 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 O-C-N 120.139 -1.601 . . . . 0.0 112.612 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 16.4 mt -62.43 -49.93 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 120.774 -1.204 . . . . 0.0 110.007 166.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -54.25 -42.05 69.46 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.574 1.15 . . . . 0.0 112.362 177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -67.21 -64.76 0.79 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.434 0.694 . . . . 0.0 110.714 173.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.58 -49.49 36.47 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.8 1.24 . . . . 0.0 111.8 -174.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 56.0 t -53.84 -38.91 37.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 O-C-N 121.153 -0.967 . . . . 0.0 113.171 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -47.6 64.24 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.763 0.825 . . . . 0.0 112.317 173.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 63.9 mm-40 -55.02 -32.61 61.97 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.496 0.665 . . . . 0.0 111.729 173.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 5.4 tpm_? 58.45 41.46 22.73 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.16 1.384 . . . . 0.0 112.197 169.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.0 157.39 5.83 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -173.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -76.77 -44.6 32.29 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 113.477 0.918 . . . . 0.0 113.477 -161.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 11.1 p -154.08 175.45 13.42 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.827 0.822 . . . . 0.0 112.65 -172.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.491 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.4 mp0 -54.23 -43.91 71.27 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 125.932 1.693 . . . . 0.0 113.457 -167.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -65.78 -34.02 77.21 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 122.122 0.963 . . . . 0.0 112.39 179.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 55.0 mp0 -69.61 -41.52 75.61 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 121.189 -0.944 . . . . 0.0 111.697 173.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 94.5 t -58.47 -56.7 14.74 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.278 2.1 pp -58.76 -47.41 84.76 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 121.469 -0.769 . . . . 0.0 112.465 -174.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . 0.253 2.7 p30 -65.34 -45.7 83.19 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.902 1.683 . . . . 0.0 112.789 -177.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -65.88 -55.45 16.92 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.458 -0.776 . . . . 0.0 112.085 176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -44.57 50.67 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 O-C-N 121.206 -0.934 . . . . 0.0 110.744 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.29 -34.57 78.65 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.801 -1.187 . . . . 0.0 111.176 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 87.7 m -61.84 -58.24 8.74 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.209 0.604 . . . . 0.0 111.855 170.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -60.91 -41.89 96.98 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 122.595 1.188 . . . . 0.0 112.224 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -54.86 -32.13 60.37 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.234 -1.541 . . . . 0.0 111.921 167.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 54.4 m -78.07 -36.52 48.19 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 119.879 -1.763 . . . . 0.0 113.916 172.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -48.96 -57.94 5.68 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.516 1.053 . . . . 0.0 110.638 160.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -55.09 -40.47 70.45 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -55.57 -55.13 35.53 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.839 -1.163 . . . . 0.0 112.354 172.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.26 -38.03 87.73 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 121.622 0.725 . . . . 0.0 112.172 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -63.31 -53.17 56.91 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.712 1.205 . . . . 0.0 111.341 173.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 113' ' ' ARG . 87.3 m-20 -68.46 -11.76 60.23 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 126.156 1.782 . . . . 0.0 114.413 177.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -39.41 94.46 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.015 0.926 . . . . 0.0 111.193 164.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 39.9 mtmt -61.06 139.4 58.09 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -118.65 139.01 52.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 127.264 2.226 . . . . 0.0 111.072 -165.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.739 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -84.76 100.74 11.72 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.084 -1.01 . . . . 0.0 110.087 176.431 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -76.94 6.79 5.66 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.357 -1.465 . . . . 0.0 113.762 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 75.29 -48.12 0.62 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.165 1.786 . . . . 0.0 113.736 172.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 78.18 -56.25 4.0 Favored Glycine 0 CA--C 1.535 1.306 0 O-C-N 121.486 -0.759 . . . . 0.0 112.959 175.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 13.5 t -151.91 -156.29 0.69 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.019 0.928 . . . . 0.0 111.168 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 69.5 mt -75.55 63.54 1.54 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.769 1.228 . . . . 0.0 112.221 -179.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 66.0 tttm . . . . . 0 C--O 1.24 0.602 0 C-N-CA 125.065 1.346 . . . . 0.0 110.605 179.549 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 60.5 t-80 . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 55.6 ttp -86.97 72.56 10.08 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.212 0.605 . . . . 0.0 109.819 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -15.52 87.91 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 128.766 2.826 . . . . 0.0 116.471 -171.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -74.88 36.7 0.11 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.413 1.885 . . . . 0.0 114.494 -175.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 p -33.45 -58.24 0.41 Allowed 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.378 3.071 . . . . 0.0 113.77 174.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.5 p -70.97 -23.75 23.92 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 N-CA-C 114.066 1.136 . . . . 0.0 114.066 -176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -83.84 45.18 1.05 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.18 -1.575 . . . . 0.0 114.026 -166.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 12.5 mt -78.63 109.05 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 124.957 1.303 . . . . 0.0 111.727 -174.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.6 t -76.03 178.52 6.25 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.801 0.81 . . . . 0.0 111.324 168.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.14 -52.63 64.54 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 114.837 1.421 . . . . 0.0 114.837 -160.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 7.1 p -61.29 -51.22 69.81 Favored 'General case' 0 CA--C 1.537 0.448 0 O-C-N 120.842 -1.161 . . . . 0.0 113.508 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -66.46 -36.7 83.4 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 120.908 -1.12 . . . . 0.0 112.118 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.37 -46.48 90.15 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 O-C-N 120.855 -1.153 . . . . 0.0 111.671 172.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.36 -29.13 69.25 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 122.791 1.281 . . . . 0.0 112.225 178.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.9 t -76.16 -32.58 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 O-C-N 119.977 -1.702 . . . . 0.0 112.18 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.88 -33.24 55.84 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.805 -1.184 . . . . 0.0 113.153 161.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . 0.257 0.0 OUTLIER -66.56 -45.11 80.43 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 121.728 -0.608 . . . . 0.0 109.869 174.714 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.576 ' HB3' HD11 ' B' ' 124' ' ' LEU . 17.1 mt -59.36 -39.33 82.89 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.619 -1.301 . . . . 0.0 111.914 171.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.732 ' CE1' HD12 ' B' ' 124' ' ' LEU . 24.3 m-85 -55.95 -47.0 78.4 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 117.558 -1.211 . . . . 0.0 113.068 170.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.261 67.0 mm-40 -80.45 -29.12 37.52 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.289 1.589 . . . . 0.0 115.289 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -50.63 -28.7 9.33 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.293 -1.504 . . . . 0.0 110.779 155.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.76 -1.1 41.31 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 116.756 2.132 . . . . 0.0 116.756 172.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 35.39 85.74 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 128.464 2.706 . . . . 0.0 115.58 -158.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 56.8 mt -137.47 113.51 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 127.007 2.123 . . . . 0.0 111.232 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -66.69 134.69 52.75 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.543 -1.348 . . . . 0.0 109.358 160.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.0 mm -95.11 129.43 35.51 Favored Pre-proline 0 CA--C 1.54 0.56 0 C-N-CA 124.636 1.174 . . . . 0.0 109.791 171.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -57.48 122.51 11.89 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 121.882 1.721 . . . . 0.0 111.395 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.7 m -37.67 -41.15 0.46 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 127.173 2.189 . . . . 0.0 114.084 175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -51.96 -41.83 62.41 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 175.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.5 mm -51.77 -59.39 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 CA-C-O 121.811 0.815 . . . . 0.0 110.179 169.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.84 -45.46 98.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 124.004 0.922 . . . . 0.0 110.857 -172.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -50.75 -45.46 58.83 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.817 1.647 . . . . 0.0 112.317 177.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -72.1 -60.89 2.0 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.583 0.753 . . . . 0.0 111.538 172.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.45 -46.81 38.29 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.16 0.984 . . . . 0.0 112.944 -169.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.07 -36.07 30.77 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 O-C-N 121.648 -0.658 . . . . 0.0 112.321 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -72.77 -50.13 26.37 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.248 1.419 . . . . 0.0 111.328 173.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 29.8 mm-40 -73.31 70.26 1.17 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.275 1.43 . . . . 0.0 110.958 -178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 -63.35 77.34 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.556 1.542 . . . . 0.0 114.721 -172.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.7 mt -66.93 166.44 13.52 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.679 0.792 . . . . 0.0 110.585 163.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -86.18 -62.78 1.44 Allowed 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.219 -0.926 . . . . 0.0 111.385 -169.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 25.3 p -102.33 167.39 10.0 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -173.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -42.81 -53.53 4.56 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 121.841 0.829 . . . . 0.0 112.358 163.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -53.71 -43.6 69.12 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.352 1.072 . . . . 0.0 111.027 -171.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.35 -49.1 70.64 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 123.848 0.859 . . . . 0.0 111.06 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . 0.266 9.5 m -66.26 -40.62 87.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.128 -0.629 . . . . 0.0 111.181 178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 4.6 pp -62.82 -30.6 71.61 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.242 -1.537 . . . . 0.0 112.444 173.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -68.0 -57.14 6.64 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 120.311 -1.493 . . . . 0.0 111.749 172.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -57.0 -53.44 58.02 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.264 0.625 . . . . 0.0 111.489 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.5 mt -51.99 -51.25 30.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 C-N-CA 123.27 0.628 . . . . 0.0 111.822 176.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -57.59 -40.44 79.04 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 120.979 1.718 . . . . 0.0 112.518 -178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.0 m -58.12 -57.77 11.4 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.691 0.796 . . . . 0.0 111.436 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -56.97 -33.05 66.67 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 126.548 1.939 . . . . 0.0 113.206 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 62.0 ttt-85 -79.87 -16.12 56.0 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 127.901 2.48 . . . . 0.0 111.565 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.287 97.8 m -86.05 -37.22 19.13 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 119.899 -1.751 . . . . 0.0 112.595 166.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -48.87 -63.82 0.98 Allowed 'General case' 0 CA--C 1.546 0.798 0 O-C-N 121.638 -0.664 . . . . 0.0 111.604 156.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -55.27 -39.84 70.29 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.025 -1.047 . . . . 0.0 113.806 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -52.86 -52.66 56.5 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.827 -1.171 . . . . 0.0 112.54 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.25 -43.93 83.41 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.09 0.859 . . . . 0.0 112.588 175.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -59.21 -33.66 71.24 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.876 -1.14 . . . . 0.0 113.024 170.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -78.26 -10.86 59.84 Favored 'General case' 0 CA--C 1.547 0.855 0 O-C-N 119.617 -1.927 . . . . 0.0 114.229 171.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -96.31 -50.36 4.82 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.241 1.816 . . . . 0.0 112.896 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -46.39 147.23 1.2 Allowed 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 116.95 2.204 . . . . 0.0 116.95 -168.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.76 108.33 0.17 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 129.838 3.255 . . . . 0.0 117.082 177.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' B' ' 79' ' ' TYR . 0.3 OUTLIER -107.76 101.15 10.47 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.641 1.176 . . . . 0.0 111.546 168.053 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.63 -12.1 60.36 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 -169.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? 64.68 -66.69 0.13 Allowed 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.96 1.704 . . . . 0.0 112.362 -168.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.03 -70.37 1.0 Allowed Glycine 0 CA--C 1.534 1.224 0 O-C-N 121.466 -0.771 . . . . 0.0 112.891 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 35.3 t -73.9 147.73 42.91 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.96 -0.73 . . . . 0.0 112.389 176.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.63 178.73 3.39 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 122.929 0.492 . . . . 0.0 110.376 162.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.6 tttm . . . . . 0 CA--C 1.54 0.595 0 O-C-N 120.986 -1.071 . . . . 0.0 110.997 -175.825 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 5.0 p80 . . . . . 0 CA--C 1.542 0.67 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 27.9 ttt -63.12 90.56 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 O-C-N 121.64 -0.662 . . . . 0.0 109.231 166.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -73.42 117.6 15.37 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.84 -1.163 . . . . 0.0 114.085 -157.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.424 ' H ' ' HE3' ' B' ' 64' ' ' LYS . 0.0 OUTLIER -55.05 137.01 47.38 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.487 1.291 . . . . 0.0 114.487 177.796 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 36.3 p -72.35 68.25 0.75 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.596 1.558 . . . . 0.0 111.811 175.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 97.9 t -126.31 133.1 69.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 C-N-CA 123.875 0.87 . . . . 0.0 112.049 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -42.3 109.88 0.15 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 127.059 2.143 . . . . 0.0 114.209 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp 58.33 64.95 1.36 Allowed 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 122.974 1.369 . . . . 0.0 112.235 173.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 27.3 m -74.55 160.45 30.87 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.055 0.942 . . . . 0.0 111.66 164.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.46 -52.1 0.84 Allowed 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.553 1.686 . . . . 0.0 115.553 -177.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.4 p -59.32 -60.57 3.64 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -61.47 -33.11 73.2 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.277 -1.514 . . . . 0.0 112.501 176.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -45.17 95.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 O-C-N 121.511 -0.743 . . . . 0.0 111.646 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.9 86.03 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-O 122.759 1.266 . . . . 0.0 110.843 177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.564 HG12 ' CE2' ' B' ' 79' ' ' TYR . 16.1 t -70.26 -36.33 66.88 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.943 0 O-C-N 120.848 -1.158 . . . . 0.0 111.87 176.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -57.37 -25.56 59.68 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 170.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -75.37 -46.21 34.45 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 171.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.3 mt -52.83 -44.75 66.95 Favored 'General case' 0 C--N 1.347 0.469 0 O-C-N 120.631 -1.293 . . . . 0.0 109.816 170.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.564 ' CE2' HG12 ' B' ' 75' ' ' VAL . 36.7 m-85 -53.93 -61.23 2.44 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.696 0.68 . . . . 0.0 111.913 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -75.46 -44.03 46.28 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -166.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -53.31 -40.19 64.6 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 119.949 -1.719 . . . . 0.0 112.389 169.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.0 t -74.9 -4.44 38.02 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.806 -1.184 . . . . 0.0 113.489 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 66.56 48.47 1.48 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 129.548 3.139 . . . . 0.0 112.937 -175.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 mp -114.88 109.11 27.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 125.555 1.542 . . . . 0.0 109.159 167.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -72.39 142.93 48.72 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.312 166.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 29.4 mm -105.06 129.47 24.76 Favored Pre-proline 0 N--CA 1.474 0.762 0 C-N-CA 124.795 1.238 . . . . 0.0 110.169 172.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -78.71 150.94 24.63 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 122.031 1.82 . . . . 0.0 111.446 176.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 7.0 m -36.73 -46.0 0.57 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 126.621 1.968 . . . . 0.0 112.157 169.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.64 -1.06 12.33 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.643 1.577 . . . . 0.0 115.084 -173.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 mm -87.22 -44.56 16.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 O-C-N 120.855 -1.153 . . . . 0.0 109.46 158.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 81.6 mt -72.03 -43.13 67.82 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 C-N-CA 124.976 1.31 . . . . 0.0 110.755 -168.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -28.98 -63.99 0.1 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 128.255 2.622 . . . . 0.0 112.362 164.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -65.07 -70.23 0.24 Allowed 'General case' 0 N--CA 1.443 -0.787 0 C-N-CA 126.218 1.807 . . . . 0.0 109.108 175.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.542 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.0 OUTLIER -53.27 -47.38 69.17 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -163.416 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 49.2 t -48.18 -46.97 13.59 Favored 'Isoleucine or valine' 0 C--O 1.241 0.609 0 O-C-N 121.227 -0.92 . . . . 0.0 113.339 176.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -84.21 -40.8 17.66 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.301 1.041 . . . . 0.0 112.138 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -50.37 -45.27 55.12 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.234 1.414 . . . . 0.0 112.017 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 63.85 61.8 0.94 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 115.108 1.522 . . . . 0.0 115.108 160.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 19.0 mt -67.88 165.4 17.7 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.585 -0.697 . . . . 0.0 111.327 167.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 -107.67 5.69 27.05 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 114.733 1.382 . . . . 0.0 114.733 -160.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 19.8 p -153.88 165.0 37.46 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 120.262 -1.524 . . . . 0.0 114.615 169.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 30.3 mp0 -46.16 -47.0 17.69 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 126.802 2.041 . . . . 0.0 111.236 167.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.49 -45.14 95.49 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 122.029 0.919 . . . . 0.0 111.11 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -67.71 -45.31 75.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 121.281 -0.887 . . . . 0.0 111.005 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.408 HG23 HG21 ' B' ' 75' ' ' VAL . 19.7 m -70.2 -34.0 57.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.342 0 O-C-N 121.567 -0.708 . . . . 0.0 111.233 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 3.7 pp -67.39 -36.99 82.44 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 120.899 1.681 . . . . 0.0 112.352 172.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -61.12 -57.22 13.42 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 122.365 1.079 . . . . 0.0 110.337 172.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . 0.542 ' CD2' HD23 ' B' ' 94' ' ' LEU . 55.7 t80 -60.16 -55.01 39.08 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.646 1.178 . . . . 0.0 112.598 -176.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.438 HG21 ' CE2' ' B' ' 79' ' ' TYR . 86.8 mt -50.88 -46.91 30.02 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 O-C-N 121.343 -0.848 . . . . 0.0 111.186 174.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -61.33 -39.58 91.07 Favored 'General case' 0 CA--C 1.549 0.924 0 CA-C-N 119.667 1.121 . . . . 0.0 112.518 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 25.6 m -59.04 -58.4 8.8 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.823 0.849 . . . . 0.0 112.3 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -61.34 -31.47 71.34 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.796 -1.19 . . . . 0.0 112.418 177.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 61.5 ttt-85 -71.17 -20.6 62.27 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.151 1.38 . . . . 0.0 111.981 170.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 98.5 m -78.65 -43.89 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 119.928 -1.732 . . . . 0.0 112.162 168.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -46.09 -66.71 0.36 Allowed 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.507 0.594 . . . . 0.0 110.444 159.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 7.7 m95 -56.85 -38.4 72.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.274 0.0 OUTLIER -58.92 -47.9 83.39 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.381 -1.45 . . . . 0.0 112.379 170.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 87.6 mt -63.96 -43.69 95.03 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.383 0.992 . . . . 0.0 111.801 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -59.42 -39.71 84.34 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.733 -1.229 . . . . 0.0 111.881 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -71.7 -18.99 62.13 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.323 -1.485 . . . . 0.0 114.14 169.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -79.37 -32.26 43.09 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.673 1.589 . . . . 0.0 112.212 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 74.8 mttt -48.5 128.63 15.15 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.418 -0.801 . . . . 0.0 112.921 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.72 138.82 55.09 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.708 1.203 . . . . 0.0 113.924 174.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.732 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -113.77 100.57 8.56 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.052 0.842 . . . . 0.0 109.96 149.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -67.36 27.25 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.964 2.106 . . . . 0.0 115.913 -171.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 69.98 -53.09 0.63 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.78 2.032 . . . . 0.0 114.196 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.6 28.99 66.35 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 -165.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 40.0 m 46.81 -121.63 1.18 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.71 1.204 . . . . 0.0 112.683 -176.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 65.2 mt -82.51 66.34 8.06 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.859 0.864 . . . . 0.0 112.194 -175.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.24 0.555 0 C-N-CA 124.789 1.235 . . . . 0.0 110.551 168.503 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 . . . . . 0 CA--C 1.535 0.402 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 26.7 ttt -81.94 97.2 7.95 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.966 0.507 . . . . 0.0 110.186 172.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' CG ' ' HZ2' ' A' ' 64' ' ' LYS . 30.7 t70 -9.2 102.63 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 128.44 2.696 . . . . 0.0 114.988 -178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' HZ2' ' CG ' ' A' ' 63' ' ' ASP 0.321 0.0 OUTLIER 26.4 44.26 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 118.494 2.775 . . . . 0.0 118.494 -172.668 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.3 m -73.55 78.05 1.46 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 120.546 -1.346 . . . . 0.0 112.354 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.4 p -69.59 57.1 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 C-N-CA 127.166 2.186 . . . . 0.0 114.797 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.28 64.52 4.2 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 119.611 -1.931 . . . . 0.0 111.87 177.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.527 ' HB3' HG22 ' A' ' 73' ' ' VAL . 71.4 mt -69.16 116.12 9.24 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.943 1.297 . . . . 0.0 111.937 177.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 73' ' ' VAL . 52.9 p -110.45 171.95 7.16 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.374 1.469 . . . . 0.0 112.093 167.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -28.59 -66.62 0.08 Allowed 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 116.493 2.034 . . . . 0.0 116.493 -159.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 16.5 p -63.8 -54.08 40.84 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -173.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.486 ' CD ' HH12 ' A' ' 98' ' ' ARG . 22.7 pm0 -60.37 -34.91 74.55 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.145 -1.597 . . . . 0.0 113.093 172.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 68' ' ' LEU . 42.4 t -59.8 -47.82 89.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 120.475 -1.39 . . . . 0.0 110.486 174.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.8 -42.61 93.78 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.252 1.025 . . . . 0.0 111.607 177.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.1 t -68.12 -38.3 79.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.775 0 O-C-N 120.627 -1.295 . . . . 0.0 112.012 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.4 -41.0 79.43 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.887 0.875 . . . . 0.0 112.48 168.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -61.54 -48.41 81.16 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.581 -0.699 . . . . 0.0 110.032 175.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.6 mt -55.45 -43.4 75.39 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.055 -1.028 . . . . 0.0 111.798 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CD1' HD22 ' B' ' 124' ' ' LEU . 25.7 m-85 -53.14 -51.73 61.02 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 120.601 -1.312 . . . . 0.0 112.692 171.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -84.06 -31.46 25.35 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 119.458 1.026 . . . . 0.0 113.621 -167.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -49.89 -32.51 14.73 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.735 -1.228 . . . . 0.0 111.601 154.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.2 t -89.48 -8.74 52.25 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 115.107 1.521 . . . . 0.0 115.107 173.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . 0.338 0.2 OUTLIER 54.94 50.41 15.6 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 131.401 3.88 . . . . 0.0 116.443 -163.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.4 mt -116.62 73.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 O-C-N 120.103 -1.623 . . . . 0.0 112.144 -173.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.7 ttp85 -61.65 133.91 56.17 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.61 0.719 . . . . 0.0 112.094 -165.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.4 HD13 ' NH1' ' A' ' 113' ' ' ARG . 26.2 mm -85.24 125.55 69.73 Favored Pre-proline 0 CA--C 1.548 0.898 0 O-C-N 120.536 -1.353 . . . . 0.0 111.056 177.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.98 135.54 25.57 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 122.007 1.804 . . . . 0.0 109.13 171.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.9 m -40.35 -52.61 2.69 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 128.302 2.641 . . . . 0.0 113.113 -174.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -38.76 -47.23 1.36 Allowed 'General case' 0 CA--C 1.55 0.963 0 N-CA-C 114.41 1.263 . . . . 0.0 114.41 175.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 25.2 mm -52.03 -55.62 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 O-C-N 121.334 -0.854 . . . . 0.0 111.079 173.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.36 -50.8 78.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.883 0.849 . . . . 0.0 110.518 -177.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -51.86 -29.28 19.01 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 129.268 3.027 . . . . 0.0 112.912 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -83.87 -65.76 0.97 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.643 1.577 . . . . 0.0 112.469 166.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 108' ' ' TYR . 0.5 OUTLIER -48.29 -47.47 36.38 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.227 2.611 . . . . 0.0 112.858 -169.527 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 51.5 t -47.12 -42.66 6.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.789 0 C-N-CA 124.281 1.032 . . . . 0.0 113.347 175.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -70.96 -50.33 35.75 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.262 -0.899 . . . . 0.0 111.749 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -77.37 69.87 3.68 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-O 122.337 1.065 . . . . 0.0 111.223 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.486 HH12 ' CD ' ' A' ' 72' ' ' GLU . 8.8 tpm_? -49.56 77.76 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 127.591 2.356 . . . . 0.0 114.699 -178.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.8 mt -65.65 160.85 21.76 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.256 -0.903 . . . . 0.0 110.498 169.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -81.16 -62.08 1.76 Allowed 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.574 1.149 . . . . 0.0 110.82 -171.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.3 t -102.63 153.66 19.89 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -166.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 29.4 mp0 -35.43 -51.59 0.61 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 128.018 2.527 . . . . 0.0 110.776 157.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.3 tp60 -61.25 -40.81 95.44 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 121.112 -0.993 . . . . 0.0 112.009 -178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -72.05 -48.0 47.6 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 123.945 0.898 . . . . 0.0 111.379 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.3 m -63.78 -40.04 87.61 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.222 0 O-C-N 121.405 -0.809 . . . . 0.0 110.214 177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.252 1.5 pp -67.2 -37.69 84.08 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 118.581 -1.248 . . . . 0.0 111.586 176.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -55.01 -57.52 11.37 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 120.516 -1.365 . . . . 0.0 111.943 170.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.403 ' CD2' HD23 ' A' ' 94' ' ' LEU . 82.4 t80 -53.67 -58.08 8.5 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.72 0.808 . . . . 0.0 111.596 177.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.407 HG21 ' CE2' ' A' ' 79' ' ' TYR . 93.0 mt -55.54 -53.65 34.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 124.071 0.948 . . . . 0.0 112.083 -177.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -54.58 -48.24 72.36 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.058 -1.027 . . . . 0.0 112.171 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.1 m -56.96 -56.31 23.4 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 122.824 0.45 . . . . 0.0 111.639 175.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -66.65 -37.43 84.8 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.685 -0.634 . . . . 0.0 112.148 -174.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.4 ' NH1' HD13 ' A' ' 86' ' ' ILE . 5.0 ptm85 -66.57 -25.92 66.87 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.61 -1.931 . . . . 0.0 111.702 172.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 23.7 m -70.74 -39.18 73.47 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.887 -1.133 . . . . 0.0 113.809 165.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -49.27 -57.07 7.45 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.97 1.259 . . . . 0.0 110.66 163.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -52.15 -44.94 64.81 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 174.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -49.71 -48.87 49.58 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.47 -1.394 . . . . 0.0 111.511 172.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.4 mt -61.2 -46.27 91.16 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 173.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -51.61 -36.39 45.58 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 120.251 -1.531 . . . . 0.0 112.721 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -82.13 -0.54 45.27 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.573 -1.329 . . . . 0.0 113.648 177.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -112.23 -42.25 3.76 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.25 2.22 . . . . 0.0 112.75 -177.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -50.0 154.42 1.12 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -174.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.58 132.99 55.44 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.044 1.737 . . . . 0.0 115.153 -176.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.614 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -125.35 130.17 51.41 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.96 0.904 . . . . 0.0 109.045 156.032 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -70.61 -1.7 11.96 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 175.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 63.99 -67.15 0.11 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.575 1.95 . . . . 0.0 114.561 -178.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.97 -74.04 0.12 Allowed Glycine 0 CA--C 1.539 1.55 0 CA-C-N 119.05 0.841 . . . . 0.0 114.753 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 87.0 p -75.48 61.91 1.33 Allowed 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.336 1.455 . . . . 0.0 113.543 -172.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -66.42 165.38 14.39 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.242 -0.911 . . . . 0.0 111.982 168.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 45.1 tptt . . . . . 0 CA--C 1.543 0.689 0 O-C-N 120.949 -1.094 . . . . 0.0 113.553 -175.018 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 41.9 ttp -67.6 155.06 40.04 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -176.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -62.95 155.56 27.01 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 124.144 0.978 . . . . 0.0 111.376 164.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -123.0 59.89 1.05 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.833 1.253 . . . . 0.0 110.414 175.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 8.3 m 56.58 49.48 14.58 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.761 1.624 . . . . 0.0 110.049 -176.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.392 0.8 OUTLIER 52.99 -66.25 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 C-N-CA 129.02 2.928 . . . . 0.0 116.455 -172.097 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -40.95 88.18 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 127.211 2.204 . . . . 0.0 115.832 -173.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 5.7 mp 55.75 85.87 0.07 Allowed 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 122.479 1.133 . . . . 0.0 112.094 -173.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 6.6 m -105.21 179.14 4.36 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.501 1.921 . . . . 0.0 111.235 170.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.95 -68.2 0.15 Allowed 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.756 1.761 . . . . 0.0 115.756 -169.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 2.4 p -58.35 -57.15 14.19 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -175.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -60.27 -39.38 86.62 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.829 -1.169 . . . . 0.0 112.077 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.73 -48.13 88.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 O-C-N 121.414 -0.804 . . . . 0.0 111.372 173.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.51 -49.12 78.55 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 121.586 0.708 . . . . 0.0 110.597 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.486 HG12 ' CE2' ' B' ' 79' ' ' TYR . 14.2 t -69.77 -31.48 48.58 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 O-C-N 121.239 -0.913 . . . . 0.0 111.623 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 mt -59.34 -32.3 69.98 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 167.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.92 -50.01 58.56 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 170.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 18.8 mt -54.08 -40.22 67.04 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 120.276 -1.515 . . . . 0.0 111.52 176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.614 ' CE1' HD12 ' A' ' 124' ' ' LEU . 24.8 m-85 -52.12 -66.0 0.46 Allowed 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.361 0.982 . . . . 0.0 113.377 168.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -77.32 -32.28 55.14 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 119.696 1.134 . . . . 0.0 113.222 -168.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 50.5 mm-40 -56.66 -40.8 76.14 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 120.151 -1.593 . . . . 0.0 110.952 162.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -78.94 1.66 22.93 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.867 -1.146 . . . . 0.0 113.828 170.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 70.78 32.46 2.47 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 127.277 2.231 . . . . 0.0 111.761 170.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 46.1 mt -106.73 120.8 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 126.716 2.007 . . . . 0.0 111.069 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -75.26 152.71 38.24 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 118.856 -1.138 . . . . 0.0 112.232 162.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 34.4 mm -114.27 126.76 27.58 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 126.674 1.99 . . . . 0.0 109.767 170.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -53.6 138.63 67.02 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 122.521 2.148 . . . . 0.0 112.834 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.2 -49.36 12.26 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.926 0.89 . . . . 0.0 111.856 173.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.69 -46.99 5.27 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 25.9 mm -56.26 -57.02 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 121.339 -0.85 . . . . 0.0 109.274 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 95.6 mt -57.96 -45.4 87.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 C-N-CA 123.396 0.678 . . . . 0.0 110.727 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -49.01 -57.23 6.86 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.712 1.605 . . . . 0.0 111.112 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -72.26 -55.79 6.6 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.469 -0.769 . . . . 0.0 111.854 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.402 HD23 ' CD1' ' B' ' 108' ' ' TYR . 0.8 OUTLIER -43.55 -46.36 7.02 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.797 1.639 . . . . 0.0 112.973 -177.664 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 51.0 t -54.61 -64.87 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 123.244 0.617 . . . . 0.0 111.92 168.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -35.12 65.67 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 -174.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -61.18 -24.21 66.15 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 175.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 46.73 63.61 1.85 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 122.868 1.318 . . . . 0.0 112.989 -177.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 32.6 mt -67.34 160.69 26.73 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.946 -1.096 . . . . 0.0 111.982 172.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -84.14 -48.35 9.93 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.324 1.05 . . . . 0.0 112.838 -157.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 46.4 p -145.61 174.36 11.25 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 122.283 1.039 . . . . 0.0 113.693 175.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 48.6 mp0 -38.31 -43.72 0.83 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 130.378 3.471 . . . . 0.0 112.569 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 47.5 tp60 -60.71 -50.22 74.35 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.399 -0.813 . . . . 0.0 111.856 175.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -68.95 -37.65 78.98 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.281 -0.887 . . . . 0.0 112.312 -177.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.9 m -66.03 -44.37 92.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.563 172.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.4 pp -64.32 -36.23 83.45 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 120.16 1.345 . . . . 0.0 111.685 178.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -57.28 -62.17 1.95 Allowed 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.034 -1.041 . . . . 0.0 111.309 172.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . 0.402 ' CD1' HD23 ' B' ' 94' ' ' LEU . 26.4 t80 -51.98 -56.28 15.22 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.456 0.702 . . . . 0.0 110.733 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 94.1 mt -57.05 -58.1 7.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 C-N-CA 122.77 0.428 . . . . 0.0 110.238 -177.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -56.03 -37.56 69.37 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 120.71 -1.244 . . . . 0.0 112.715 -178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 64.9 m -63.05 -59.38 4.88 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.647 -0.658 . . . . 0.0 112.457 172.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -67.68 -34.79 77.61 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-O 122.267 1.032 . . . . 0.0 111.802 -174.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -54.01 -43.87 70.44 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.814 1.646 . . . . 0.0 111.122 165.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.262 53.3 m -64.57 -44.61 90.16 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 119.894 -1.754 . . . . 0.0 113.579 174.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -46.46 -58.08 4.09 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.553 0.615 . . . . 0.0 111.256 162.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -50.8 -48.45 59.57 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 18.6 pttm -57.51 -41.67 81.26 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.398 -1.439 . . . . 0.0 113.089 174.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.15 -45.21 74.17 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.256 0.934 . . . . 0.0 112.569 176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -49.74 -34.11 18.09 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 120.267 -1.521 . . . . 0.0 112.249 172.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -90.02 20.94 3.93 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 120.323 -1.485 . . . . 0.0 112.668 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -121.86 -25.14 5.07 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 126.683 1.993 . . . . 0.0 113.311 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -75.2 58.09 0.9 Allowed 'General case' 0 CA--C 1.554 1.131 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -164.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.97 92.11 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 118.871 2.915 . . . . 0.0 118.871 162.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.534 HD22 ' CD1' ' A' ' 79' ' ' TYR . 20.7 tp -88.81 114.32 25.31 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 119.789 -1.819 . . . . 0.0 112.717 165.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -81.66 -36.9 28.28 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.443 1.497 . . . . 0.0 113.826 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 4.7 ptt85 36.42 47.11 0.47 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.691 1.996 . . . . 0.0 116.331 169.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 49.59 32.26 16.1 Favored Glycine 0 CA--C 1.543 1.786 0 N-CA-C 114.658 0.623 . . . . 0.0 114.658 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . 0.283 11.4 p 87.07 -89.02 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 128.05 2.54 . . . . 0.0 112.906 -170.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 10.2 mp 36.34 91.68 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 127.684 2.394 . . . . 0.0 115.233 174.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? . . . . . 0 CA--C 1.536 0.435 0 O-C-N 120.748 -1.22 . . . . 0.0 111.499 167.529 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.05 76.07 1.34 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.041 1.736 . . . . 0.0 112.839 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -68.78 57.82 0.09 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.648 1.979 . . . . 0.0 113.901 173.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.3 169.67 16.87 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.691 -1.256 . . . . 0.0 113.188 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.5 p -67.5 109.98 3.45 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.087 0.955 . . . . 0.0 111.77 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.6 p -70.17 50.82 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.055 0 C-N-CA 125.75 1.62 . . . . 0.0 114.133 -177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -81.34 57.83 3.38 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 119.452 -2.03 . . . . 0.0 110.186 176.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 87.3 mt -118.35 101.87 8.52 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.697 1.199 . . . . 0.0 112.059 -165.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.0 t -70.34 -179.25 1.96 Allowed 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 121.632 0.729 . . . . 0.0 111.409 162.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.98 -55.74 30.81 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -162.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.2 p -64.27 -46.56 83.14 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.426 -1.421 . . . . 0.0 112.789 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -68.73 -32.09 71.63 Favored 'General case' 0 CA--C 1.549 0.94 0 O-C-N 120.574 -1.329 . . . . 0.0 113.005 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.6 -45.22 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 O-C-N 119.648 -1.908 . . . . 0.0 111.427 171.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.46 -30.07 69.69 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-O 121.984 0.897 . . . . 0.0 112.315 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -42.48 40.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 O-C-N 120.326 -1.483 . . . . 0.0 112.12 173.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.01 -36.61 8.03 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.29 -0.881 . . . . 0.0 112.381 162.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . 0.259 0.0 OUTLIER -66.62 -46.42 75.92 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.506 -0.746 . . . . 0.0 110.872 173.322 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.3 mt -52.07 -42.84 63.5 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.504 -1.372 . . . . 0.0 111.145 172.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.627 ' CE1' HD12 ' B' ' 124' ' ' LEU . 52.8 m-85 -61.77 -58.96 5.98 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 172.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.33 -27.7 42.1 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 120.369 1.44 . . . . 0.0 114.067 -170.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -60.49 -18.86 54.44 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.218 -1.551 . . . . 0.0 112.141 158.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.6 m -100.22 7.66 44.32 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 120.434 -1.416 . . . . 0.0 114.582 164.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 p30 47.95 32.53 2.87 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 129.749 3.22 . . . . 0.0 115.665 -170.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 70.5 mt -87.48 117.98 32.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 125.183 1.393 . . . . 0.0 111.435 179.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 ttt85 -71.74 139.03 48.92 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.136 -0.977 . . . . 0.0 110.743 166.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.0 mm -108.2 128.9 24.83 Favored Pre-proline 0 CA--C 1.542 0.636 0 C-N-CA 126.039 1.736 . . . . 0.0 108.876 172.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.19 140.82 71.34 Favored 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.28 1.987 . . . . 0.0 113.066 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.8 t -39.82 -47.92 2.18 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.655 1.582 . . . . 0.0 111.568 162.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.42 -47.69 62.92 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.345 1.058 . . . . 0.0 113.443 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 mm -57.82 -48.17 84.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.473 0 O-C-N 120.657 -1.277 . . . . 0.0 109.946 176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.1 -45.21 99.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.618 0 O-C-N 121.598 -0.689 . . . . 0.0 110.121 -178.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -50.71 -50.76 54.41 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.225 1.81 . . . . 0.0 112.331 173.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 t0 -63.62 -69.2 0.29 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.164 0.985 . . . . 0.0 109.723 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.8 -43.2 69.13 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.792 1.637 . . . . 0.0 113.528 -168.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.3 t -54.85 -33.17 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 O-C-N 120.386 -1.446 . . . . 0.0 112.617 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -54.75 6.09 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.922 0.889 . . . . 0.0 110.265 165.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.33 48.54 0.43 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 128.396 2.678 . . . . 0.0 113.316 -174.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 14.2 ttm105 -73.98 88.28 1.86 Allowed 'General case' 0 CA--C 1.533 0.298 0 O-C-N 120.707 -1.245 . . . . 0.0 112.739 -171.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.6 mt -63.87 161.4 15.59 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.136 0.975 . . . . 0.0 110.615 169.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -82.18 -62.55 1.59 Allowed 'General case' 0 CA--C 1.533 0.324 0 O-C-N 120.815 -1.178 . . . . 0.0 110.429 -158.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 41.5 t -82.04 148.54 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 124.088 0.955 . . . . 0.0 112.591 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -39.24 -40.82 0.8 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.13 0.972 . . . . 0.0 112.59 159.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -58.15 -53.22 60.68 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.464 0.65 . . . . 0.0 111.108 177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -60.93 -50.4 73.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 121.745 -0.597 . . . . 0.0 110.869 -178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.1 m -62.52 -37.93 80.11 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.919 178.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.291 0.9 OUTLIER -68.14 -36.46 79.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 120.457 1.48 . . . . 0.0 112.806 174.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -61.14 -55.67 29.68 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 121.796 0.808 . . . . 0.0 110.178 176.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -59.9 -51.94 67.54 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.834 0.854 . . . . 0.0 112.154 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -53.5 -52.98 27.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 O-C-N 121.441 -0.787 . . . . 0.0 110.588 177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -54.9 -38.37 67.52 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 120.857 -1.152 . . . . 0.0 112.096 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.9 m -61.77 -59.19 5.53 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.585 -0.697 . . . . 0.0 112.509 173.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.41 -36.63 78.6 Favored 'General case' 0 CA--C 1.55 0.943 0 O-C-N 120.635 -1.291 . . . . 0.0 111.795 178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -60.14 -30.54 69.36 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 119.914 -1.741 . . . . 0.0 111.99 169.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 90.2 m -75.7 -40.36 55.94 Favored 'General case' 0 N--CA 1.469 0.485 0 O-C-N 120.741 -1.224 . . . . 0.0 113.03 172.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 7.9 t80 -46.87 -54.38 10.06 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.142 0.883 . . . . 0.0 110.382 159.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 58.0 m95 -54.71 -43.53 72.64 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 114.765 1.395 . . . . 0.0 114.765 175.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -48.29 -53.63 16.61 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 120.458 1.481 . . . . 0.0 111.049 170.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.1 mt -58.92 -51.41 70.14 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.85 -0.531 . . . . 0.0 112.234 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -63.95 -14.42 53.64 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.801 -1.187 . . . . 0.0 113.942 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -92.3 -18.97 22.64 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 119.74 -1.85 . . . . 0.0 114.154 167.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -89.14 -47.19 8.25 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.963 2.105 . . . . 0.0 113.029 -178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -53.1 150.58 5.65 Favored 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.674 1.361 . . . . 0.0 114.674 -170.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.48 136.18 45.88 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.384 1.874 . . . . 0.0 115.385 -171.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.3 tp -126.24 125.63 42.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.021 1.328 . . . . 0.0 110.198 160.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.11 34.6 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.703 1.601 . . . . 0.0 114.952 177.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 61.72 -78.65 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.613 1.965 . . . . 0.0 113.227 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 143.71 78.67 0.04 OUTLIER Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.247 -1.141 . . . . 0.0 110.247 -163.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 18.7 m 45.14 32.86 0.99 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.521 1.528 . . . . 0.0 114.527 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.1 mm? 37.24 49.01 0.85 Allowed 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.09 1.756 . . . . 0.0 113.768 -172.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 82.1 tttt . . . . . 0 CA--C 1.538 0.505 0 O-C-N 120.96 -1.087 . . . . 0.0 111.8 -174.796 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.637 0 N-CA-C 115.666 1.728 . . . . 0.0 115.666 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 31.1 ttp -81.29 59.09 3.82 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-N 119.72 1.146 . . . . 0.0 111.467 -178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -159.78 -160.03 0.78 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.869 1.668 . . . . 0.0 110.307 -175.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -42.71 111.4 0.25 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.358 1.863 . . . . 0.0 113.428 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 75.1 p -77.92 69.37 4.14 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.824 -1.172 . . . . 0.0 112.972 -169.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.1 161.39 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 163.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.78 69.68 0.68 Allowed 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.601 -1.312 . . . . 0.0 113.732 -173.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 92.7 mt -68.2 99.08 0.86 Allowed 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.115 1.366 . . . . 0.0 110.885 170.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 26.6 p -75.55 178.99 5.58 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.659 0.784 . . . . 0.0 111.158 167.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.69 -54.42 42.06 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 115.773 1.768 . . . . 0.0 115.773 -157.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.8 p -62.74 -50.61 70.41 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.874 -1.141 . . . . 0.0 112.917 -176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.4 pm0 -63.98 -42.45 97.22 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.536 -1.353 . . . . 0.0 112.476 175.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -38.16 78.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 O-C-N 120.029 -1.669 . . . . 0.0 111.952 178.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.33 -52.93 42.14 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.72 0.772 . . . . 0.0 111.267 175.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.87 -35.95 75.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 O-C-N 120.933 -1.104 . . . . 0.0 111.485 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -41.71 76.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.428 1.091 . . . . 0.0 112.387 169.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -61.46 -51.73 67.47 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 121.481 -0.762 . . . . 0.0 109.686 173.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 58.8 mt -49.49 -43.46 45.28 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.389 -0.819 . . . . 0.0 112.941 177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -53.27 -53.3 52.85 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 120.069 1.304 . . . . 0.0 112.502 170.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -63.67 -43.56 96.36 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.562 0.745 . . . . 0.0 111.695 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -53.83 -40.55 66.52 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 122.376 1.084 . . . . 0.0 110.758 167.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.36 -8.1 54.45 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 114.911 1.449 . . . . 0.0 114.911 173.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 66.3 56.22 0.81 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 128.058 2.543 . . . . 0.0 112.674 -171.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 49.5 mt -126.31 119.88 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 124.764 1.226 . . . . 0.0 110.912 174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -75.89 138.97 41.4 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.285 161.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 19.3 mm -95.43 130.47 32.06 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 125.205 1.402 . . . . 0.0 110.086 170.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.91 131.67 43.48 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.561 2.174 . . . . 0.0 111.415 170.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 56.0 m -45.42 -46.04 13.17 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.183 1.393 . . . . 0.0 112.064 175.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -43.09 -43.24 4.33 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 114.727 1.381 . . . . 0.0 114.727 170.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.2 mm -56.98 -54.88 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 O-C-N 120.607 -1.308 . . . . 0.0 109.883 173.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 73.4 mt -60.16 -42.23 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.644 0 C-N-CA 123.942 0.897 . . . . 0.0 111.449 -176.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -52.13 -53.1 46.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.413 1.885 . . . . 0.0 112.158 169.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -68.67 -63.56 1.04 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.926 1.691 . . . . 0.0 112.274 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.05 -48.07 11.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.534 2.334 . . . . 0.0 113.878 -164.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 94.1 t -54.03 -37.95 36.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 O-C-N 121.422 -0.798 . . . . 0.0 112.948 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -74.08 -44.83 52.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.065 0.946 . . . . 0.0 111.869 177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 61.4 mm-40 -52.87 -38.21 61.31 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 122.048 0.928 . . . . 0.0 110.935 173.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? 62.5 43.09 8.09 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.992 1.317 . . . . 0.0 114.228 161.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.0 mt -64.16 160.66 17.9 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.391 -0.818 . . . . 0.0 112.223 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -82.52 -63.63 1.33 Allowed 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.294 -0.879 . . . . 0.0 111.212 -169.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 25.2 p -104.66 164.88 11.44 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 -169.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -50.0 -41.42 47.06 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.181 1.792 . . . . 0.0 111.449 172.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.5 tp-100 -62.12 -43.67 98.31 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.401 -0.812 . . . . 0.0 112.135 177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -67.06 -50.36 62.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 121.751 -0.593 . . . . 0.0 110.796 -178.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 17.9 m -63.19 -42.08 95.17 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.38 0 C-N-CA 119.898 -0.721 . . . . 0.0 109.788 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.3 pp -64.07 -41.58 97.28 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 120.106 1.321 . . . . 0.0 111.712 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . 0.285 5.9 p30 -73.96 -43.16 59.12 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.969 1.259 . . . . 0.0 113.09 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -60.01 -51.85 67.91 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.422 -0.799 . . . . 0.0 111.717 172.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 77.3 mt -51.88 -53.25 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.373 0 O-C-N 121.39 -0.819 . . . . 0.0 109.966 176.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -57.19 -36.57 70.98 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.082 -1.011 . . . . 0.0 112.93 177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 67.6 m -61.52 -56.75 16.59 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 121.253 -0.904 . . . . 0.0 112.177 171.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -59.72 -34.34 72.79 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 120.823 -1.173 . . . . 0.0 112.274 176.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -68.55 -20.89 64.56 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 126.509 1.923 . . . . 0.0 111.902 172.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.29 76.8 m -80.03 -47.44 14.9 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 119.069 -2.269 . . . . 0.0 112.674 170.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -47.57 -51.62 20.36 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.331 0.514 . . . . 0.0 112.078 161.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -56.61 -49.85 73.71 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.301 13.0 pttm -52.98 -42.43 65.53 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 121.142 1.792 . . . . 0.0 113.228 170.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.6 mt -57.88 -47.32 83.09 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.871 1.214 . . . . 0.0 112.469 173.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -62.49 -30.22 71.11 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.03 -1.669 . . . . 0.0 113.474 172.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -73.72 -20.46 60.51 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 119.425 -2.047 . . . . 0.0 113.092 172.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -94.52 -51.4 4.77 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.702 2.401 . . . . 0.0 113.449 -175.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 42.8 mtpt -41.91 139.64 1.23 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 126.096 1.758 . . . . 0.0 115.699 -168.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 127.11 22.31 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.901 1.281 . . . . 0.0 114.426 -177.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.627 HD12 ' CE1' ' A' ' 79' ' ' TYR . 1.1 tt -111.37 111.19 22.06 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 158.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.41 1.21 3.17 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 -171.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.437 ' NH2' HD13 ' B' ' 124' ' ' LEU . 11.9 mmp_? 70.57 -50.59 0.66 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.239 1.816 . . . . 0.0 113.863 179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 73.71 -165.53 54.78 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 123.61 0.624 . . . . 0.0 112.168 -174.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.4 m -71.81 59.72 0.35 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.009 1.324 . . . . 0.0 113.266 -176.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 43.7 mt 49.07 40.42 17.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.992 1.317 . . . . 0.0 112.701 -169.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 65.8 tttm . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 123.516 0.726 . . . . 0.0 111.79 -179.748 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 119.685 -0.198 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 14.4 mmt -101.92 81.89 2.18 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.916 0.886 . . . . 0.0 111.987 -175.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.84 62.88 0.29 Allowed 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 124.587 1.155 . . . . 0.0 111.756 175.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HZ2' ' CD ' ' A' ' 92' ' ' GLU . 1.4 tmtp? -141.45 120.41 12.79 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.719 1.208 . . . . 0.0 112.243 -162.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.1 m -48.47 111.21 0.42 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.975 1.31 . . . . 0.0 113.727 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 49.5 t -72.24 69.9 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 124.713 1.205 . . . . 0.0 111.83 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -79.03 64.47 3.96 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.735 -1.228 . . . . 0.0 111.755 -178.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 56.1 mt -64.77 102.02 0.54 Allowed 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 121.717 0.77 . . . . 0.0 112.597 176.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.8 m -62.39 163.11 9.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.6 1.96 . . . . 0.0 111.347 170.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.28 -52.79 41.86 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 115.64 1.719 . . . . 0.0 115.64 -169.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.3 p -62.51 -48.06 81.21 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.444 -1.41 . . . . 0.0 113.372 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -63.29 -44.85 93.86 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.038 -1.039 . . . . 0.0 111.913 177.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.73 -44.12 98.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 O-C-N 120.699 -1.25 . . . . 0.0 111.549 175.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.13 -38.43 86.36 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-O 122.038 0.923 . . . . 0.0 111.557 177.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.8 t -74.65 -39.38 46.69 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.817 0 O-C-N 120.907 -1.12 . . . . 0.0 112.432 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.68 -40.85 29.66 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.121 -0.987 . . . . 0.0 113.068 161.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -70.53 -49.73 45.14 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.786 -0.571 . . . . 0.0 109.862 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.7 mt -50.64 -44.19 57.3 Favored 'General case' 0 CA--C 1.535 0.384 0 O-C-N 120.751 -1.218 . . . . 0.0 112.081 171.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -51.1 -52.81 40.01 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.087 -1.008 . . . . 0.0 112.601 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -76.76 -26.7 54.83 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 120.273 1.397 . . . . 0.0 114.247 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -56.57 -25.88 53.7 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 119.601 -1.937 . . . . 0.0 111.712 158.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.43 3.67 55.0 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 115.017 1.488 . . . . 0.0 115.017 170.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 37.83 67.75 0.36 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 128.212 2.605 . . . . 0.0 115.395 -156.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 45.2 mt -121.32 110.93 29.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 125.063 1.345 . . . . 0.0 111.022 170.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 23.7 ttp85 -72.97 148.39 44.29 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 120.024 -0.67 . . . . 0.0 109.58 166.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 mm -114.3 126.05 28.47 Favored Pre-proline 0 CA--C 1.541 0.63 0 C-N-CA 124.774 1.23 . . . . 0.0 109.734 -178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.76 130.04 37.82 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.247 1.965 . . . . 0.0 111.153 172.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 m -44.49 -38.94 4.45 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.462 1.105 . . . . 0.0 113.639 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -46.46 -43.94 17.02 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.78 1.4 . . . . 0.0 114.78 171.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.9 mm -56.09 -55.38 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.137 -0.977 . . . . 0.0 109.922 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.35 -41.93 91.71 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 124.219 1.007 . . . . 0.0 111.051 -174.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.526 ' CD ' ' HZ2' ' A' ' 64' ' ' LYS . 20.3 tp10 -46.34 -59.13 3.13 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.065 1.346 . . . . 0.0 111.456 172.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -71.21 -49.72 40.57 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.741 0.817 . . . . 0.0 112.232 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -47.16 -54.08 11.51 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.216 -0.928 . . . . 0.0 111.526 176.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.6 t -59.48 -34.84 55.94 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.772 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 174.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -58.73 -46.6 87.03 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 120.026 -1.671 . . . . 0.0 111.764 169.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -81.73 -68.48 0.69 Allowed 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -177.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 63.22 89.62 0.09 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 128.563 2.745 . . . . 0.0 112.062 -168.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.2 mt -74.88 175.47 8.02 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.47 0.653 . . . . 0.0 112.595 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -58.17 -39.9 80.06 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 121.341 -0.849 . . . . 0.0 112.945 -163.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.0 p -169.29 174.91 5.84 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.125 0.97 . . . . 0.0 112.082 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.542 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 3.1 mp0 -35.58 -54.54 0.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 129.527 3.131 . . . . 0.0 113.204 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -62.55 -43.44 98.8 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.349 -0.844 . . . . 0.0 111.838 -178.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -67.26 -39.45 86.1 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 121.447 -0.783 . . . . 0.0 112.298 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.05 -48.98 81.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.963 172.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.268 4.0 pp -61.69 -35.26 77.49 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 120.632 -1.292 . . . . 0.0 112.872 179.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -55.98 -59.51 4.8 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.62 -1.3 . . . . 0.0 111.561 170.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -57.56 -52.98 63.19 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.229 1.012 . . . . 0.0 111.462 -178.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 88.8 mt -53.16 -51.89 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 123.839 0.856 . . . . 0.0 111.188 175.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -56.96 -38.87 73.58 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.305 -1.497 . . . . 0.0 112.251 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.4 m -58.72 -59.04 6.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.384 0.674 . . . . 0.0 111.563 172.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -57.36 -34.67 69.06 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 120.92 -1.112 . . . . 0.0 113.641 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.0 ttt-85 -72.01 -22.18 61.45 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.255 1.822 . . . . 0.0 111.512 175.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.261 99.4 m -79.64 -41.67 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 119.7 -1.875 . . . . 0.0 112.359 169.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -48.08 -59.82 3.09 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.579 0.627 . . . . 0.0 111.106 158.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -51.73 -46.22 63.92 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 -174.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.252 14.1 pttm -60.12 -48.24 82.55 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 120.4 -1.437 . . . . 0.0 114.121 169.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 90.1 mt -63.15 -46.97 84.7 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.482 1.492 . . . . 0.0 112.838 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -44.28 -54.6 5.6 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.844 1.658 . . . . 0.0 111.152 164.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -66.02 -26.99 67.78 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.215 -1.553 . . . . 0.0 113.707 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -69.99 -19.67 63.33 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.755 1.622 . . . . 0.0 112.915 174.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -56.04 130.07 42.47 Favored 'General case' 0 CA--C 1.548 0.884 0 O-C-N 120.898 -1.126 . . . . 0.0 113.219 176.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.21 141.94 22.15 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 170.304 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.682 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.1 OUTLIER -127.6 122.39 33.04 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.521 1.528 . . . . 0.0 109.064 155.137 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -72.01 24.41 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? 65.88 -62.73 0.24 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.327 1.851 . . . . 0.0 114.311 178.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 71.25 -81.24 0.48 Allowed Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.171 -0.956 . . . . 0.0 112.517 -175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.9 t -76.99 116.84 18.01 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 118.093 0.946 . . . . 0.0 110.925 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 90.4 mt -126.46 66.21 1.24 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.048 1.339 . . . . 0.0 110.368 177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.0 ttpm? . . . . . 0 CA--C 1.541 0.628 0 O-C-N 120.609 -1.307 . . . . 0.0 111.857 -171.887 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.408 ' CE1' ' SG ' ' B' ' 71' ' ' CYS . 6.5 t-160 . . . . . 0 CA--C 1.54 0.558 0 CA-C-O 120.734 0.302 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 91.5 mtp -58.82 133.1 55.69 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.023 0.529 . . . . 0.0 111.192 172.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -115.02 112.11 22.15 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -169.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -74.44 69.19 1.64 Allowed 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.972 -1.08 . . . . 0.0 109.135 156.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 25.7 m -42.18 -31.33 0.37 Allowed 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 117.502 2.408 . . . . 0.0 117.502 -164.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 25.1 t -63.74 79.55 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 O-C-N 121.139 -0.976 . . . . 0.0 110.765 165.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.6 t30 55.69 118.03 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 128.485 2.714 . . . . 0.0 116.162 166.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.42 ' HB3' HG22 ' B' ' 73' ' ' VAL . 96.4 mt 68.68 101.21 0.06 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 174.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 47.7 m -122.94 -168.25 1.72 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.696 1.998 . . . . 0.0 112.272 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.72 -74.12 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 116.669 2.1 . . . . 0.0 116.669 -157.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.408 ' SG ' ' CE1' ' B' ' 61' ' ' HIS . 14.6 p -64.58 -43.67 93.12 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -173.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 18.6 pm0 -65.93 -35.66 81.21 Favored 'General case' 0 CA--C 1.544 0.731 0 O-C-N 121.023 -1.048 . . . . 0.0 112.626 178.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . 0.42 HG22 ' HB3' ' B' ' 68' ' ' LEU . 76.7 t -64.96 -49.69 78.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.194 -0.941 . . . . 0.0 110.94 172.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.93 82.7 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 122.401 1.096 . . . . 0.0 111.097 176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 25.5 t -64.47 -33.02 60.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.606 0 O-C-N 121.082 -1.011 . . . . 0.0 111.837 175.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.67 -29.24 69.17 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 168.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -78.04 -45.35 23.87 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.796 -0.565 . . . . 0.0 110.199 172.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 46.5 mt -50.7 -41.27 55.8 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 119.257 -2.152 . . . . 0.0 111.03 169.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.682 ' CE1' HD12 ' A' ' 124' ' ' LEU . 16.1 m-85 -58.22 -58.04 10.24 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 120.935 -1.103 . . . . 0.0 113.798 166.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -78.57 -32.94 47.95 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 120.137 1.335 . . . . 0.0 113.51 -165.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -43.96 -47.63 8.56 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.03 -1.669 . . . . 0.0 111.009 154.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 6.1 t -79.79 3.2 20.26 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 125.075 1.35 . . . . 0.0 113.0 178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 42.05 58.06 3.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.43 3.092 . . . . 0.0 115.072 -164.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.53 HG23 ' NH2' ' B' ' 113' ' ' ARG . 21.3 mt -108.24 112.46 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.556 1.143 . . . . 0.0 111.663 170.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 50.6 ttp85 -86.81 115.27 24.12 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.162 -0.961 . . . . 0.0 109.796 166.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.35 132.91 89.45 Favored Pre-proline 0 CA--C 1.551 1.017 0 O-C-N 120.548 -1.345 . . . . 0.0 111.45 173.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.53 135.88 29.65 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.844 1.696 . . . . 0.0 109.324 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 33.6 p -49.41 -38.62 29.65 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.595 1.958 . . . . 0.0 114.548 -171.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -44.19 -51.47 8.14 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.492 1.117 . . . . 0.0 113.162 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 28.4 mm -48.81 -52.31 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 121.982 0.896 . . . . 0.0 110.459 172.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -65.8 -42.54 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.65 -171.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -48.25 -70.24 0.1 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 118.506 0.593 . . . . 0.0 110.867 169.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -53.03 -51.82 60.46 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 122.682 1.229 . . . . 0.0 110.388 -174.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' B' ' 108' ' ' TYR . 0.7 OUTLIER -58.79 -43.73 90.53 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 121.32 -0.863 . . . . 0.0 112.944 -178.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 52.5 t -58.06 -35.79 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 121.156 -0.965 . . . . 0.0 112.703 171.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -66.38 -63.86 0.98 Allowed 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.33 0.968 . . . . 0.0 112.407 169.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -65.96 -43.57 87.53 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.221 -0.925 . . . . 0.0 112.893 -171.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.9 tpp85 57.15 72.47 0.51 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 168.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 16.1 mt -61.23 171.7 1.28 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 122.799 1.285 . . . . 0.0 114.339 176.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.86 -66.12 0.59 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 120.743 -1.223 . . . . 0.0 110.344 -164.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -137.37 173.46 11.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.177 0.991 . . . . 0.0 113.046 -167.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.538 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.3 mp0 -44.65 -54.64 5.96 Favored 'General case' 0 C--O 1.223 -0.308 0 C-N-CA 127.502 2.321 . . . . 0.0 112.499 -170.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -57.6 -39.88 77.86 Favored 'General case' 0 CA--C 1.535 0.385 0 O-C-N 121.502 -0.749 . . . . 0.0 111.617 179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -69.32 -50.82 43.03 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 121.843 -0.536 . . . . 0.0 111.342 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 34.7 m -64.06 -37.45 79.86 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 C-N-CA 119.18 -1.008 . . . . 0.0 111.035 177.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.74 -39.36 76.82 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 120.358 1.436 . . . . 0.0 112.578 178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.16 -46.28 84.74 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.375 0.989 . . . . 0.0 111.176 175.448 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . 0.404 ' CD1' HD23 ' B' ' 94' ' ' LEU . 57.4 t80 -58.64 -55.62 32.68 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.476 0.71 . . . . 0.0 112.122 175.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.8 mt -51.12 -54.52 10.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 C-N-CA 124.063 0.945 . . . . 0.0 110.86 176.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.65 -31.56 72.77 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 121.168 -0.957 . . . . 0.0 111.876 -178.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 89.5 m -61.95 -58.6 7.28 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.091 -1.005 . . . . 0.0 113.142 168.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -57.33 -35.74 70.25 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 120.397 -1.439 . . . . 0.0 111.212 176.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.53 ' NH2' HG23 ' B' ' 84' ' ' ILE . 19.8 ttt85 -68.46 -30.59 69.49 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 119.775 -1.828 . . . . 0.0 112.121 174.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 60.2 m -68.37 -43.61 77.02 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.038 1.335 . . . . 0.0 112.492 168.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -47.84 -53.57 15.15 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.582 0.628 . . . . 0.0 110.15 162.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -54.91 -40.69 70.1 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 174.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -50.74 -58.03 6.91 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 120.611 1.55 . . . . 0.0 110.643 172.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.14 -45.48 91.71 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 121.863 0.839 . . . . 0.0 111.983 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -53.62 -39.95 65.36 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 120.8 -1.187 . . . . 0.0 112.083 174.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -74.29 -17.24 60.88 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.245 -1.534 . . . . 0.0 114.448 172.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -80.8 -38.15 28.96 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.374 1.87 . . . . 0.0 111.955 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -47.26 149.9 0.95 Allowed 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.75 134.09 36.36 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.222 1.809 . . . . 0.0 114.738 178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 15.7 tp -112.54 119.38 37.98 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.724 0.81 . . . . 0.0 109.243 152.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.44 27.62 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.449 1.899 . . . . 0.0 115.765 -176.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? 63.87 -65.91 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.699 1.999 . . . . 0.0 113.523 -176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.39 -93.92 0.31 Allowed Glycine 0 CA--C 1.535 1.324 0 CA-C-N 118.438 0.563 . . . . 0.0 112.401 -176.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 49.0 m -73.99 72.22 1.61 Allowed 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -57.52 147.34 27.08 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.513 -0.742 . . . . 0.0 110.876 157.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 48.3 tttp . . . . . 0 CA--C 1.543 0.677 0 O-C-N 121.13 -0.981 . . . . 0.0 113.161 -167.229 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 CA--C 1.536 0.429 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 13.1 ttt -80.11 41.99 0.54 Allowed 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -175.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -68.51 107.41 2.91 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 161.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.7 33.23 4.67 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.857 1.263 . . . . 0.0 111.674 176.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.7 m -80.08 121.27 25.33 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.763 1.225 . . . . 0.0 111.664 -177.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . 0.326 2.8 p 57.49 -45.75 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 C-N-CA 130.756 3.622 . . . . 0.0 118.949 172.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.84 166.69 5.32 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -175.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.354 6.8 mp 66.56 47.72 1.6 Allowed 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 122.728 1.252 . . . . 0.0 111.876 -114.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.9 t -83.83 -172.03 3.93 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.702 2.001 . . . . 0.0 111.704 161.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.09 -58.85 5.31 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 114.816 1.413 . . . . 0.0 114.816 -170.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 31.4 p -63.57 -49.35 73.73 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.375 -0.828 . . . . 0.0 113.098 -173.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 9.2 pm0 -69.12 -33.21 73.1 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 120.887 -1.133 . . . . 0.0 112.568 177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.1 t -63.37 -48.44 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 O-C-N 120.764 -1.21 . . . . 0.0 111.008 171.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.4 -39.92 70.77 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.151 0.977 . . . . 0.0 111.237 176.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.251 8.6 t -71.89 -33.84 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 O-C-N 121.532 -0.73 . . . . 0.0 112.653 176.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.1 mt -64.09 -33.64 76.23 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 168.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -70.06 -50.49 40.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.598 -0.689 . . . . 0.0 109.202 172.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 74.6 mt -52.05 -45.15 64.58 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 120.603 -1.311 . . . . 0.0 111.386 173.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -49.43 -49.09 46.61 Favored 'General case' 0 CA--C 1.532 0.266 0 O-C-N 121.077 -1.014 . . . . 0.0 112.798 170.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -83.42 -29.88 27.77 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.267 1.21 . . . . 0.0 114.267 -172.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -58.12 -17.81 20.86 Favored 'General case' 0 CA--C 1.547 0.836 0 O-C-N 119.198 -2.189 . . . . 0.0 112.174 154.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.83 -1.62 45.76 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.509 1.67 . . . . 0.0 115.509 165.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 47.63 59.78 3.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 130.019 3.328 . . . . 0.0 114.508 -164.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 74.4 mt -112.62 98.39 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 124.389 1.076 . . . . 0.0 111.234 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.2 73.46 7.04 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.055 176.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 33.5 mm -32.1 129.15 0.32 Allowed Pre-proline 0 CA--C 1.552 1.043 0 C-N-CA 126.665 1.986 . . . . 0.0 113.631 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -71.69 139.11 33.25 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 121.902 1.735 . . . . 0.0 109.74 170.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 65.0 p -48.46 -42.14 31.62 Favored 'General case' 0 C--O 1.221 -0.412 0 C-N-CA 125.878 1.671 . . . . 0.0 112.905 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -41.71 -49.54 4.27 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 115.042 1.497 . . . . 0.0 115.042 172.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.6 mm -49.32 -55.63 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 CA-C-O 121.923 0.868 . . . . 0.0 109.618 172.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 92.8 mt -64.98 -40.3 88.6 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 123.443 0.697 . . . . 0.0 110.708 -174.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.57 -59.28 4.2 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.608 1.563 . . . . 0.0 110.223 177.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.25 -56.45 14.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 121.294 -0.879 . . . . 0.0 111.712 175.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -48.13 76.12 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 -168.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.9 t -57.25 -31.07 36.8 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.647 1.179 . . . . 0.0 113.256 172.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -73.9 -51.13 17.15 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.569 -0.707 . . . . 0.0 111.721 171.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -59.75 -52.58 64.89 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.872 0.869 . . . . 0.0 112.905 -177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 79.4 mtt85 59.78 68.64 0.77 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.778 1.231 . . . . 0.0 113.327 -177.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 36.7 mt -61.02 158.4 13.57 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.908 -0.495 . . . . 0.0 110.56 166.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -60.46 2.37 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 122.015 0.912 . . . . 0.0 111.229 -167.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 47.5 t -81.42 139.75 35.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.885 0.85 . . . . 0.0 113.268 -171.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -33.42 -49.85 0.3 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.132 1.773 . . . . 0.0 112.08 155.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -68.12 -36.27 79.47 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 120.394 -1.441 . . . . 0.0 112.777 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -67.01 -45.93 76.05 Favored 'General case' 0 C--N 1.331 -0.229 0 O-C-N 121.496 -0.753 . . . . 0.0 111.629 177.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.3 m -63.16 -43.24 98.75 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 CA-C-N 118.983 0.81 . . . . 0.0 110.084 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.6 pp -67.32 -37.94 84.13 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 118.382 -1.327 . . . . 0.0 113.002 178.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -55.81 -58.37 8.15 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.265 -0.897 . . . . 0.0 111.349 172.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -54.97 -55.19 33.48 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.419 1.087 . . . . 0.0 111.967 179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 85.7 mt -54.17 -53.56 28.0 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 121.802 -0.561 . . . . 0.0 111.054 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -52.65 -44.42 66.13 Favored 'General case' 0 CA--C 1.55 0.959 0 O-C-N 120.645 -1.284 . . . . 0.0 112.357 176.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.4 m -56.53 -53.33 58.83 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.45 -0.781 . . . . 0.0 111.889 172.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -66.56 -31.25 71.84 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 120.867 -1.146 . . . . 0.0 113.858 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -60.57 -28.06 68.17 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 119.967 -1.708 . . . . 0.0 111.364 165.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.32 44.7 m -80.3 -40.07 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 119.866 -1.771 . . . . 0.0 114.297 174.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.0 t80 -47.63 -55.3 9.65 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.28 0.946 . . . . 0.0 110.796 157.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -52.81 -44.07 66.37 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -178.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -53.52 -52.14 60.57 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.108 -0.995 . . . . 0.0 112.886 170.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.77 -42.07 98.51 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-O 121.994 0.902 . . . . 0.0 112.021 178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.5 -29.39 69.95 Favored 'General case' 0 CA--C 1.545 0.754 0 O-C-N 120.202 -1.561 . . . . 0.0 112.895 174.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -77.79 1.99 18.48 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 119.862 -1.774 . . . . 0.0 113.479 171.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -127.3 -20.49 4.06 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.434 1.894 . . . . 0.0 113.774 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.7 ttpp -71.35 35.75 0.05 Allowed 'General case' 0 CA--C 1.558 1.254 0 N-CA-C 118.314 2.709 . . . . 0.0 118.314 -162.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.18 124.81 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 127.597 2.359 . . . . 0.0 117.277 168.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.3 tp -128.97 124.65 35.59 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.591 1.556 . . . . 0.0 109.785 159.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.59 33.94 0.11 Allowed 'General case' 0 CA--C 1.552 1.024 0 O-C-N 120.553 -1.342 . . . . 0.0 114.079 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.453 HH22 ' CD ' ' B' ' 110' ' ' GLU . 0.0 OUTLIER 61.97 -62.36 0.1 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 127.051 2.14 . . . . 0.0 114.268 -175.245 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.9 -70.71 1.18 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 123.675 0.655 . . . . 0.0 112.177 -174.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 92.3 p -77.51 64.1 2.78 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.009 -1.289 . . . . 0.0 112.275 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.32 75.7 0.25 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.875 0.87 . . . . 0.0 111.439 176.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 86.1 tttt . . . . . 0 CA--C 1.541 0.627 0 O-C-N 120.451 -1.406 . . . . 0.0 111.361 -176.502 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 . . . . . 0 CA--C 1.54 0.59 0 CA-C-O 120.278 0.085 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.6 ttt -96.21 78.78 3.12 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.743 0.817 . . . . 0.0 110.839 173.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -49.89 158.55 0.49 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.808 2.043 . . . . 0.0 112.141 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.4 ' HZ2' ' CD ' ' B' ' 92' ' ' GLU . 6.3 mmtm -126.87 138.0 53.25 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 117.032 2.234 . . . . 0.0 117.032 -154.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 3.5 m -84.83 59.78 5.78 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 126.899 2.08 . . . . 0.0 112.209 -176.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 17.4 t -74.04 71.54 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.931 0 O-C-N 120.486 -1.384 . . . . 0.0 112.674 -174.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -115.66 68.22 0.71 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.939 1.296 . . . . 0.0 113.212 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 38.3 mt -63.9 107.66 1.28 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.063 1.345 . . . . 0.0 113.415 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.0 t -85.1 -175.75 5.88 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.554 0.742 . . . . 0.0 111.449 163.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.08 -61.77 2.1 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 -158.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 7.9 p -57.65 -45.96 84.81 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 120.421 -1.425 . . . . 0.0 113.4 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -68.62 -42.29 78.31 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.021 -1.049 . . . . 0.0 111.459 179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.32 -40.31 85.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 120.615 -1.303 . . . . 0.0 111.53 175.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.1 99.49 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.999 0.904 . . . . 0.0 111.499 174.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -72.68 -35.3 49.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 O-C-N 120.653 -1.28 . . . . 0.0 112.585 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.43 -39.99 58.45 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.417 1.087 . . . . 0.0 113.055 161.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.49 -49.96 42.98 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 121.873 -0.517 . . . . 0.0 109.892 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.54 -44.8 66.02 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.353 -1.467 . . . . 0.0 111.81 171.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -52.7 -49.29 65.62 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.536 171.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.26 64.9 mm-40 -79.84 -29.64 40.18 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 121.366 1.894 . . . . 0.0 114.478 -177.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -52.81 -28.85 24.51 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 119.856 -1.778 . . . . 0.0 111.195 155.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 29.6 m -95.75 1.58 53.43 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 171.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 40.17 69.12 0.34 Allowed 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.454 2.302 . . . . 0.0 116.75 -160.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -122.19 105.2 15.88 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 126.122 1.769 . . . . 0.0 111.835 168.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -84.4 110.71 18.84 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 120.054 -1.654 . . . . 0.0 110.691 -177.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 33.3 mm -70.3 132.06 88.14 Favored Pre-proline 0 CA--C 1.551 1.016 0 O-C-N 118.814 -2.429 . . . . 0.0 112.225 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.477 ' CD ' HH12 ' B' ' 113' ' ' ARG . 59.1 Cg_endo -77.42 136.52 15.82 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 123.163 2.575 . . . . 0.0 109.394 168.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.0 m -44.39 -40.67 5.59 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 128.717 2.807 . . . . 0.0 113.537 -176.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -50.61 -37.91 42.87 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 21.0 mm -55.62 -53.0 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 O-C-N 121.004 -1.06 . . . . 0.0 109.933 170.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 88.8 mt -68.63 -45.18 81.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.874 -168.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' B' ' 64' ' ' LYS . 4.0 tp10 -35.72 -59.2 0.58 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.649 1.979 . . . . 0.0 111.879 171.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.4 -62.95 1.19 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.723 1.209 . . . . 0.0 110.874 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.5 HD23 ' CD1' ' B' ' 108' ' ' TYR . 1.2 tm? -52.55 -42.08 64.11 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.84 1.256 . . . . 0.0 113.349 -164.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 72.0 t -48.17 -41.26 10.12 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.944 0 O-C-N 121.246 -0.909 . . . . 0.0 112.862 173.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -74.05 -42.87 59.58 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.33 1.052 . . . . 0.0 112.464 173.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -71.38 67.95 0.51 Allowed 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.329 1.452 . . . . 0.0 110.663 179.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -67.21 77.88 0.15 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.291 1.436 . . . . 0.0 113.52 -170.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.62 173.05 2.96 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.604 0.761 . . . . 0.0 111.936 172.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -71.19 -43.89 66.52 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 121.614 -0.679 . . . . 0.0 112.754 -168.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 4.4 p -168.6 175.24 6.27 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -170.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 3.0 mp0 -33.06 -56.51 0.39 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 130.201 3.4 . . . . 0.0 114.338 178.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -57.93 -47.36 83.09 Favored 'General case' 0 CA--C 1.533 0.306 0 O-C-N 120.881 -1.137 . . . . 0.0 111.414 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -69.11 -38.42 78.89 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 121.913 -0.492 . . . . 0.0 111.715 -178.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.63 -39.28 80.17 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.795 173.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.269 1.1 pp -64.11 -40.4 96.14 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 121.269 1.849 . . . . 0.0 111.121 176.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -53.77 -57.47 10.77 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 121.431 -0.793 . . . . 0.0 110.716 172.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . 0.5 ' CD1' HD23 ' B' ' 94' ' ' LEU . 46.9 t80 -56.49 -58.4 8.17 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.565 -0.709 . . . . 0.0 112.309 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 83.9 mt -49.36 -46.55 19.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 123.768 0.827 . . . . 0.0 111.374 177.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . 0.453 ' CD ' HH22 ' A' ' 126' ' ' ARG . 56.2 mt-10 -66.79 -36.7 83.01 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 178.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 68.9 p -61.25 -51.74 67.66 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 120.535 -1.353 . . . . 0.0 112.082 168.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -67.34 -28.75 68.24 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 120.666 -1.271 . . . . 0.0 112.541 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.477 HH12 ' CD ' ' B' ' 87' ' ' PRO . 2.0 ttt85 -65.9 -29.78 70.26 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.04 -1.663 . . . . 0.0 111.48 167.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 92.5 m -75.22 -35.48 61.47 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.976 -1.078 . . . . 0.0 113.238 170.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -51.93 -56.46 13.99 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 119.365 0.984 . . . . 0.0 110.399 157.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -54.7 -41.85 70.76 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -60.69 -45.33 94.59 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.698 -1.251 . . . . 0.0 111.536 172.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.14 -48.36 76.33 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.188 0.904 . . . . 0.0 112.697 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -51.26 -41.91 60.71 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.549 -1.344 . . . . 0.0 111.568 171.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -79.44 -9.14 59.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 173.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -82.44 -32.93 28.72 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.24 1.816 . . . . 0.0 111.487 172.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 83.0 mttt -47.62 122.02 4.5 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 174.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.76 130.81 42.14 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 127.368 2.267 . . . . 0.0 114.434 172.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 26.8 tp -99.02 113.84 26.22 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.54 1.064 . . . . 0.0 109.933 149.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 15.5 p90 -69.69 -29.96 67.5 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.034 0.934 . . . . 0.0 112.677 172.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.412 ' HE ' ' C ' ' B' ' 126' ' ' ARG . 0.0 OUTLIER 73.2 -38.39 0.41 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.323 2.249 . . . . 0.0 115.282 173.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 84.35 74.62 1.23 Allowed Glycine 0 CA--C 1.536 1.372 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -164.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . 0.3 15.1 p 110.04 -136.98 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 129.376 3.07 . . . . 0.0 113.994 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -75.35 168.43 20.0 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.938 1.459 . . . . 0.0 114.938 -166.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt . . . . . 0 CA--C 1.534 0.346 0 C-N-CA 125.95 1.7 . . . . 0.0 110.648 -178.144 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.0 t-80 . . . . . 0 CA--C 1.54 0.593 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 93.4 mtp -61.36 84.93 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.982 0.913 . . . . 0.0 111.344 166.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -97.7 -161.3 0.86 Allowed 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.694 1.597 . . . . 0.0 111.474 173.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -74.59 72.15 1.92 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.001 1.32 . . . . 0.0 110.484 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 46.6 p -72.38 65.1 0.61 Allowed 'General case' 0 CA--C 1.537 0.475 0 O-C-N 120.774 -1.204 . . . . 0.0 112.29 -178.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.8 t -141.09 144.99 25.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 127.116 2.166 . . . . 0.0 108.557 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.7 99.33 0.11 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.005 0.522 . . . . 0.0 111.147 172.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.6 mp 70.71 92.01 0.09 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.994 1.318 . . . . 0.0 112.789 178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -113.74 -177.93 3.25 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.472 1.509 . . . . 0.0 112.175 170.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -30.61 -65.16 0.12 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.693 1.997 . . . . 0.0 116.22 -170.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.7 p -65.17 -57.57 8.22 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -173.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -57.38 -42.49 82.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.132 -0.98 . . . . 0.0 112.047 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 81.0 t -60.77 -47.67 92.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 O-C-N 120.901 -1.124 . . . . 0.0 111.35 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.96 -31.79 70.21 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.749 0.785 . . . . 0.0 112.392 177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 47.8 t -75.5 -45.4 39.8 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 O-C-N 121.081 -1.012 . . . . 0.0 112.151 174.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.95 -42.05 65.08 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 125.423 1.489 . . . . 0.0 113.45 169.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -61.68 -54.18 46.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.566 0.698 . . . . 0.0 109.159 175.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 10.5 mt -57.67 -35.61 70.8 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 121.777 -0.577 . . . . 0.0 112.489 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.448 ' CD1' HD22 ' B' ' 124' ' ' LEU . 15.2 m-85 -55.13 -59.51 4.67 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 119.167 0.894 . . . . 0.0 111.97 168.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -70.88 -28.55 64.64 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 120.057 1.299 . . . . 0.0 112.537 -173.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -55.74 -39.59 71.34 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.405 -1.434 . . . . 0.0 112.344 160.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 15.4 p -80.63 5.77 14.59 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 170.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 57.98 42.5 22.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.396 2.278 . . . . 0.0 113.174 -173.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 66.2 mt -105.54 104.3 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 124.565 1.146 . . . . 0.0 112.363 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.0 mtm180 -69.26 142.74 54.09 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.872 0.844 . . . . 0.0 111.724 168.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 31.1 mm -108.59 120.47 46.22 Favored Pre-proline 0 CA--C 1.542 0.652 0 C-N-CA 125.253 1.421 . . . . 0.0 110.202 174.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -70.82 134.79 26.49 Favored 'Trans proline' 0 CA--C 1.543 0.967 0 C-N-CA 121.778 1.652 . . . . 0.0 109.961 175.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -34.1 -56.01 0.49 Allowed 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.755 2.422 . . . . 0.0 114.391 -174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -32.14 -50.39 0.22 Allowed 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.209 1.803 . . . . 0.0 114.404 173.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 32.2 mm -53.22 -55.02 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 O-C-N 120.781 -1.199 . . . . 0.0 111.028 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 89.4 mt -60.25 -46.18 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 C-N-CA 124.277 1.031 . . . . 0.0 111.355 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -50.27 -49.76 52.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.12 1.768 . . . . 0.0 112.212 174.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -70.36 -61.23 1.85 Allowed 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.375 1.47 . . . . 0.0 111.507 179.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.82 -42.98 48.36 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.289 1.436 . . . . 0.0 113.972 -165.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 86.6 t -49.94 -39.97 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 O-C-N 121.401 -0.812 . . . . 0.0 112.729 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -72.32 -44.48 62.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.037 0.935 . . . . 0.0 111.85 176.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 67.6 mm-40 -56.23 -40.45 74.11 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.222 1.009 . . . . 0.0 111.799 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? 63.14 44.62 5.64 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 157.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.2 mt -72.94 169.23 17.32 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.183 -0.948 . . . . 0.0 113.425 -171.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -80.04 -58.96 2.91 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 120.821 -1.174 . . . . 0.0 112.075 -168.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.4 p -115.55 168.2 10.21 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.121 1.526 . . . . 0.0 115.121 -171.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -46.05 -42.23 13.12 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.47 1.108 . . . . 0.0 113.15 169.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 -64.61 -45.98 84.61 Favored 'General case' 0 C--O 1.222 -0.391 0 O-C-N 121.148 -0.97 . . . . 0.0 111.073 -176.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -65.43 -46.44 79.93 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 120.919 -1.113 . . . . 0.0 111.259 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.8 m -64.98 -42.4 94.65 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.406 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.016 178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.2 pp -64.94 -39.33 93.35 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 120.404 1.456 . . . . 0.0 112.24 176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -60.21 -56.85 16.55 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.092 0.86 . . . . 0.0 110.461 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -58.56 -51.4 70.06 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.798 0.439 . . . . 0.0 111.648 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.0 mt -52.84 -54.63 15.44 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.254 0 O-C-N 121.535 -0.728 . . . . 0.0 110.837 177.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.29 -30.47 71.16 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 120.982 -1.074 . . . . 0.0 111.923 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 63.4 m -61.87 -58.62 7.26 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 120.663 -1.273 . . . . 0.0 112.659 169.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -61.73 -34.16 75.32 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.276 -1.515 . . . . 0.0 111.7 177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -63.94 -33.84 76.63 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 119.551 -1.968 . . . . 0.0 111.536 171.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 97.9 m -62.93 -44.86 94.94 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.116 -0.99 . . . . 0.0 112.376 167.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -47.3 -56.68 6.34 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 118.614 0.643 . . . . 0.0 110.892 164.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -54.38 -41.08 68.8 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 174.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 55.3 mttp -51.11 -55.27 18.6 Favored 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.67 -1.269 . . . . 0.0 109.295 170.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.6 mt -58.66 -45.63 88.93 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.911 0.884 . . . . 0.0 113.007 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.495 ' CD ' ' HZ1' ' A' ' 122' ' ' LYS . 73.8 mm-40 -53.07 -45.56 68.2 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.587 -1.321 . . . . 0.0 111.961 173.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -75.13 -20.13 59.56 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -76.76 -43.4 37.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.698 1.599 . . . . 0.0 112.349 173.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.495 ' HZ1' ' CD ' ' A' ' 119' ' ' GLU . 47.3 mtmt -53.07 144.19 15.89 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -172.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -60.97 136.65 58.15 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 127.394 2.278 . . . . 0.0 114.533 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.5 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.5 OUTLIER -114.02 121.66 44.55 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 153.336 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -63.46 -9.38 12.46 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 173.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.41 ' H ' HD22 ' A' ' 124' ' ' LEU . 26.4 mmt85 68.31 -71.82 0.11 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.947 1.699 . . . . 0.0 112.635 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.9 -69.97 0.13 Allowed Glycine 0 CA--C 1.537 1.447 0 C-N-CA 123.905 0.764 . . . . 0.0 112.325 -172.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.9 m -72.09 60.35 0.4 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.876 1.67 . . . . 0.0 113.326 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -72.05 65.16 0.55 Allowed 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.15 -0.969 . . . . 0.0 110.192 168.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 84.0 tttt . . . . . 0 CA--C 1.537 0.46 0 C-N-CA 124.181 0.992 . . . . 0.0 111.357 -172.69 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 CA--C 1.546 0.824 0 CA-C-O 121.684 0.754 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 74.0 mtm -80.55 69.42 7.04 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.903 1.281 . . . . 0.0 110.705 172.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -77.05 38.42 0.21 Allowed 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.672 1.36 . . . . 0.0 114.672 -166.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -74.07 77.94 1.73 Allowed 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.394 -1.441 . . . . 0.0 110.641 174.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 2.1 m -36.19 -45.1 0.43 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 128.449 2.7 . . . . 0.0 117.128 -167.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.0 t -80.86 130.73 35.4 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 124.375 1.07 . . . . 0.0 111.81 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 47.41 94.83 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.791 2.036 . . . . 0.0 114.53 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 11.2 mp 62.47 78.7 0.28 Allowed 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 122.822 1.296 . . . . 0.0 112.649 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 7.5 t -96.29 170.76 9.03 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 128.331 2.653 . . . . 0.0 111.683 169.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.26 -66.22 0.13 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.055 1.742 . . . . 0.0 115.446 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.6 p -60.73 -56.37 22.11 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -174.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -61.28 -38.07 85.45 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 120.336 1.426 . . . . 0.0 112.174 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.63 -46.39 95.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 O-C-N 121.244 -0.91 . . . . 0.0 111.704 175.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.2 -41.06 74.99 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 121.975 0.893 . . . . 0.0 110.901 177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.495 HG12 ' CE2' ' B' ' 79' ' ' TYR 0.287 7.4 t -78.32 -27.76 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.102 0 O-C-N 121.317 -0.864 . . . . 0.0 112.685 177.535 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.62 -37.63 73.61 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 120.03 -1.669 . . . . 0.0 112.857 166.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.41 -52.12 62.9 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 173.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . 0.438 ' HB3' HD21 ' A' ' 124' ' ' LEU . 96.0 mt -49.71 -43.01 47.3 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.626 -0.671 . . . . 0.0 112.226 172.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.5 ' CE1' HD12 ' A' ' 124' ' ' LEU . 27.9 m-85 -57.25 -66.4 0.46 Allowed 'General case' 0 C--O 1.239 0.501 0 O-C-N 120.467 -1.395 . . . . 0.0 113.51 170.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -71.58 -42.96 67.14 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.442 -0.786 . . . . 0.0 111.507 -167.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -57.93 -39.0 76.93 Favored 'General case' 0 N--CA 1.469 0.493 0 O-C-N 120.905 -1.122 . . . . 0.0 112.345 171.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 45.3 t -60.23 -50.21 74.54 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 120.777 -1.202 . . . . 0.0 111.228 171.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.252 26.7 p-10 123.81 40.82 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 130.658 3.583 . . . . 0.0 112.941 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 40.7 mt -116.83 119.87 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 C-N-CA 126.632 1.973 . . . . 0.0 110.77 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -80.64 145.99 31.39 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.213 0.53 . . . . 0.0 110.954 164.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 mm -106.72 133.91 20.06 Favored Pre-proline 0 CA--C 1.548 0.887 0 C-N-CA 125.168 1.387 . . . . 0.0 112.403 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -61.45 133.57 46.67 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.765 2.31 . . . . 0.0 112.786 165.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 15.6 p -44.96 -56.28 4.74 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.688 1.995 . . . . 0.0 113.28 172.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -36.08 -56.97 0.72 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 126.078 1.751 . . . . 0.0 114.511 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 30.0 pt -65.38 -37.26 79.66 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.303 0 O-C-N 120.742 -1.224 . . . . 0.0 113.035 177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.4 mt -56.75 -46.86 83.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 119.866 1.212 . . . . 0.0 111.053 173.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -53.95 -63.66 1.08 Allowed 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.672 0.789 . . . . 0.0 111.263 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -60.59 -45.48 93.81 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.839 -1.163 . . . . 0.0 110.754 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -50.71 -51.31 50.91 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.006 -1.059 . . . . 0.0 112.842 -179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -63.24 -39.44 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 O-C-N 120.962 -1.087 . . . . 0.0 113.554 174.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.86 -53.87 47.51 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.731 0.812 . . . . 0.0 112.957 179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -51.48 -31.55 24.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.268 1.427 . . . . 0.0 112.002 173.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 57.22 61.25 2.6 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.669 1.223 . . . . 0.0 112.808 174.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 22.1 mt -66.68 156.15 36.05 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.729 164.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -93.54 -58.56 2.24 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.024 0.53 . . . . 0.0 111.59 -159.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 21.2 p -106.17 164.99 11.56 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 -176.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -45.46 -39.65 7.43 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.534 2.333 . . . . 0.0 111.95 171.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -62.57 -47.75 82.48 Favored 'General case' 0 CA--C 1.529 0.148 0 O-C-N 121.219 -0.926 . . . . 0.0 112.127 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -68.51 -43.96 75.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.969 -0.457 . . . . 0.0 110.671 -176.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . 0.429 HG23 HG21 ' B' ' 75' ' ' VAL . 27.8 m -66.17 -41.6 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.01 177.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.256 1.1 pp -64.79 -36.6 84.83 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 120.351 1.432 . . . . 0.0 111.749 175.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -58.47 -58.04 10.27 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 120.883 -1.135 . . . . 0.0 111.484 174.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -52.34 -59.96 3.79 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.526 0.73 . . . . 0.0 111.019 175.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.446 HG21 ' CE2' ' B' ' 79' ' ' TYR . 90.2 mt -57.79 -47.97 84.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.241 0.616 . . . . 0.0 110.853 -172.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -59.64 -42.87 93.73 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.049 -1.657 . . . . 0.0 112.423 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.1 m -60.74 -51.7 68.24 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.663 -0.648 . . . . 0.0 111.722 173.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -73.67 -29.37 62.27 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.169 -0.957 . . . . 0.0 112.703 -174.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -57.83 -43.99 86.16 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 120.22 -1.55 . . . . 0.0 110.916 161.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.315 98.2 m -60.52 -44.64 95.82 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.654 -1.279 . . . . 0.0 113.307 175.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -48.76 -58.45 4.77 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.4 0.545 . . . . 0.0 112.062 159.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -55.38 -41.44 72.61 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 114.861 1.43 . . . . 0.0 114.861 -176.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.256 17.4 pttm -59.79 -44.9 93.71 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 121.019 1.736 . . . . 0.0 112.56 169.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.8 -46.33 84.79 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 120.34 1.427 . . . . 0.0 111.979 174.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -55.03 -46.0 75.22 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.96 1.304 . . . . 0.0 112.455 173.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -66.22 -27.89 68.32 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.028 1.331 . . . . 0.0 112.299 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -79.97 -33.01 39.84 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 126.405 1.882 . . . . 0.0 113.417 -176.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -43.11 135.11 3.33 Favored 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 123.81 0.844 . . . . 0.0 112.232 173.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -95.35 114.92 26.74 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -173.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.448 HD22 ' CD1' ' A' ' 79' ' ' TYR . 15.5 tp -70.28 85.41 0.57 Allowed 'General case' 0 CA--C 1.542 0.642 0 O-C-N 120.709 -1.244 . . . . 0.0 111.109 169.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 20.5 p90 -55.18 -24.48 27.16 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.868 1.267 . . . . 0.0 114.322 177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 63.39 77.87 0.31 Allowed 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 169.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -74.22 41.01 1.09 Allowed Glycine 0 CA--C 1.543 1.815 0 O-C-N 120.496 -1.378 . . . . 0.0 114.184 172.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -170.26 48.66 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.752 1.621 . . . . 0.0 110.176 176.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 52.7 tp -58.64 140.93 53.79 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.055 1.342 . . . . 0.0 112.068 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 55.9 mttp . . . . . 0 N--CA 1.467 0.406 0 C-N-CA 124.399 1.08 . . . . 0.0 111.441 -179.276 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 23.7 ttt -77.48 67.05 3.34 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 120.535 -1.353 . . . . 0.0 113.391 -174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -67.6 155.61 38.74 Favored 'General case' 0 CA--C 1.545 0.75 0 O-C-N 121.351 -0.843 . . . . 0.0 111.885 170.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.86 73.47 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.586 1.154 . . . . 0.0 110.347 162.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.1 m -78.76 66.94 4.37 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.341 1.057 . . . . 0.0 113.114 -163.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 99.3 t -71.64 151.2 8.72 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 151.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.11 131.42 15.96 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp 63.23 71.54 0.51 Allowed 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 122.843 1.306 . . . . 0.0 112.84 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.3 t -84.06 177.9 8.06 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 125.402 1.481 . . . . 0.0 112.175 166.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.38 -62.46 1.26 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -172.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.4 p -58.13 -55.58 33.18 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -176.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -60.7 -39.99 90.6 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.851 -1.156 . . . . 0.0 111.889 177.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.0 t -58.86 -44.88 91.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 120.892 -1.13 . . . . 0.0 111.75 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.42 -42.37 87.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.883 0.849 . . . . 0.0 111.562 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.649 HG12 ' CE2' ' A' ' 79' ' ' TYR . 5.9 t -79.92 -38.04 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 O-C-N 121.475 -0.766 . . . . 0.0 112.181 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.54 -42.29 15.59 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.809 -1.182 . . . . 0.0 112.638 163.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -64.46 -52.41 58.14 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 121.975 -0.453 . . . . 0.0 109.856 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.6 mt -51.56 -46.08 63.29 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 121.91 -0.493 . . . . 0.0 110.708 173.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.649 ' CE2' HG12 ' A' ' 75' ' ' VAL . 35.5 m-85 -57.92 -59.91 4.53 Favored 'General case' 0 CA--C 1.534 0.354 0 O-C-N 121.101 -1.0 . . . . 0.0 112.219 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -68.08 -41.74 81.43 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 118.718 0.69 . . . . 0.0 110.786 -172.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -59.4 -38.16 79.88 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.607 -1.308 . . . . 0.0 112.67 170.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 18.1 t -69.39 -7.36 36.85 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.242 -1.536 . . . . 0.0 113.493 172.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 66.93 48.07 1.34 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.916 2.487 . . . . 0.0 111.677 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.4 mt -122.29 84.89 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 C-N-CA 126.185 1.794 . . . . 0.0 110.791 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 mmm-85 -58.87 127.63 33.18 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.821 -0.549 . . . . 0.0 112.274 -171.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.473 HD13 ' NH1' ' A' ' 113' ' ' ARG . 42.6 mm -86.19 115.92 63.81 Favored Pre-proline 0 CA--C 1.544 0.738 0 O-C-N 120.808 -1.182 . . . . 0.0 110.755 167.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HD3' HH12 ' A' ' 113' ' ' ARG . 32.8 Cg_endo -72.89 140.16 31.41 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 121.461 1.441 . . . . 0.0 108.837 168.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.6 p -51.93 -28.61 17.07 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 125.354 1.462 . . . . 0.0 113.403 -177.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -52.97 -35.5 59.04 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 124.603 1.161 . . . . 0.0 114.042 172.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 mm -64.57 -42.86 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 O-C-N 119.99 -1.694 . . . . 0.0 110.33 169.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.7 mt -68.64 -43.08 83.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.671 0 C-N-CA 123.911 0.885 . . . . 0.0 110.922 -172.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -37.77 -58.17 0.93 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.541 1.936 . . . . 0.0 112.106 165.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -68.66 -65.94 0.64 Allowed 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 122.565 1.174 . . . . 0.0 109.95 -179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.41 -53.44 17.7 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.925 1.29 . . . . 0.0 113.575 -171.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 68.9 t -52.28 -49.83 39.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 O-C-N 121.388 -0.82 . . . . 0.0 112.53 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.64 -41.21 72.47 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.782 0.719 . . . . 0.0 112.665 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -55.24 -36.61 66.2 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.006 0.922 . . . . 0.0 112.615 174.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 55.1 68.9 0.79 Allowed 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 123.666 1.698 . . . . 0.0 113.706 173.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -79.08 163.37 25.17 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 114.764 -1.107 . . . . 0.0 110.557 158.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -123.76 -39.08 2.44 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 114.482 1.289 . . . . 0.0 114.482 -164.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 36.8 t -87.01 147.07 25.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.147 0.885 . . . . 0.0 111.628 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 24.7 mp0 -49.23 -36.15 19.4 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.324 1.45 . . . . 0.0 111.409 166.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -62.64 -47.36 84.07 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 120.907 -1.121 . . . . 0.0 112.228 172.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -63.88 -48.93 74.72 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 121.221 -0.925 . . . . 0.0 111.588 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.6 m -62.36 -42.84 97.06 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.629 HD13 ' NH1' ' B' ' 126' ' ' ARG 0.284 1.0 OUTLIER -63.78 -41.6 97.92 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 120.204 1.366 . . . . 0.0 112.597 178.117 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.429 ' N ' HD12 ' A' ' 106' ' ' LEU . 86.8 m-20 -60.41 -56.42 21.6 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.217 -0.927 . . . . 0.0 110.899 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -63.08 -49.08 75.89 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.411 -177.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 78.9 mt -50.98 -55.91 6.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 121.576 -0.702 . . . . 0.0 109.96 174.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . 0.261 32.4 mt-10 -63.06 -30.89 71.95 Favored 'General case' 0 CA--C 1.546 0.824 0 O-C-N 120.701 -1.25 . . . . 0.0 113.474 -177.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.6 m -60.48 -57.76 11.38 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.416 -0.802 . . . . 0.0 112.133 165.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -64.43 -31.5 72.74 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 120.517 -1.365 . . . . 0.0 112.944 -178.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.473 ' NH1' HD13 ' A' ' 86' ' ' ILE . 67.6 mtp85 -65.01 -32.09 73.65 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 120.116 -1.615 . . . . 0.0 111.033 168.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.329 96.8 m -69.01 -39.1 79.5 Favored 'General case' 0 CA--C 1.537 0.468 0 O-C-N 120.45 -1.406 . . . . 0.0 114.024 168.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.35 -64.37 0.81 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 119.339 0.972 . . . . 0.0 110.529 158.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -52.2 -42.11 63.23 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -58.08 -49.94 75.2 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.022 -1.049 . . . . 0.0 112.418 174.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.3 mt -72.65 -39.54 67.09 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.04 0.837 . . . . 0.0 112.337 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -52.33 -45.63 65.71 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 120.226 -1.546 . . . . 0.0 111.562 167.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -67.38 -4.41 10.95 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 119.582 -1.949 . . . . 0.0 113.844 172.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -104.34 -8.86 18.93 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.937 2.095 . . . . 0.0 111.724 172.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -67.21 128.57 36.89 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.908 -1.12 . . . . 0.0 110.855 178.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 138.05 58.28 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.992 1.479 . . . . 0.0 114.992 -175.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.709 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.6 OUTLIER -103.77 104.4 14.41 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.726 -0.609 . . . . 0.0 109.524 155.467 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.95 21.7 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 116.072 1.878 . . . . 0.0 116.072 -172.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.521 ' NH2' HD13 ' A' ' 124' ' ' LEU . 0.0 OUTLIER 57.95 -77.17 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.252 1.421 . . . . 0.0 114.497 -174.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 62.7 -78.53 0.03 OUTLIER Glycine 0 CA--C 1.537 1.41 0 N-CA-C 111.527 -0.629 . . . . 0.0 111.527 -166.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 69.5 m -74.67 64.38 1.22 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.091 0.956 . . . . 0.0 112.112 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 30.8 tp -71.19 76.04 0.7 Allowed 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 121.851 0.834 . . . . 0.0 111.063 175.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 CA--C 1.537 0.479 0 O-C-N 120.774 -1.204 . . . . 0.0 110.902 -175.667 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 CA--C 1.542 0.651 0 CA-C-O 121.449 0.643 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 6.7 tpt -85.62 59.85 5.88 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.257 1.023 . . . . 0.0 111.297 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -73.48 63.64 0.81 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.904 1.681 . . . . 0.0 111.712 -169.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . 0.675 ' HZ1' ' CD ' ' B' ' 92' ' ' GLU . 12.7 tppt? -76.44 77.86 3.17 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -159.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 14.9 t -143.99 -176.53 5.03 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.457 0.703 . . . . 0.0 110.769 156.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.4 p -75.48 66.39 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.667 0 O-C-N 121.173 -0.954 . . . . 0.0 112.671 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -77.05 46.45 0.48 Allowed 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.564 -1.335 . . . . 0.0 113.904 -175.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -88.08 99.11 11.93 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.459 1.103 . . . . 0.0 108.475 169.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.5 t -122.55 -168.52 1.75 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.974 2.109 . . . . 0.0 111.25 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -33.8 -69.77 0.09 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.394 1.877 . . . . 0.0 115.115 -165.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 4.3 p -62.53 -64.15 1.01 Allowed 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 113.956 1.095 . . . . 0.0 113.956 -174.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' B' ' 72' ' ' GLU . 7.1 pm0 -55.53 -40.69 72.17 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.269 -1.519 . . . . 0.0 112.638 179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 89.6 t -62.78 -43.66 98.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 120.985 -1.072 . . . . 0.0 111.906 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.56 -47.62 83.05 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 122.005 0.907 . . . . 0.0 111.327 175.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.494 HG12 ' CE2' ' B' ' 79' ' ' TYR . 23.6 t -68.32 -30.27 47.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.987 0 O-C-N 120.893 -1.13 . . . . 0.0 111.045 -177.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -34.85 60.84 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 120.79 -1.194 . . . . 0.0 113.633 167.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -76.67 -50.51 13.55 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 73.2 mt -47.04 -38.58 11.25 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.5 -1.375 . . . . 0.0 111.758 173.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.709 ' CE1' HD12 ' A' ' 124' ' ' LEU . 19.1 m-85 -59.35 -58.56 8.09 Favored 'General case' 0 CA--C 1.535 0.373 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 167.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -76.01 -30.94 58.68 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.655 1.116 . . . . 0.0 113.728 -170.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -59.59 -25.73 64.85 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 119.331 -2.105 . . . . 0.0 111.763 159.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.32 -1.77 58.15 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 119.845 -1.784 . . . . 0.0 114.86 165.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 51.45 56.19 8.28 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 130.973 3.709 . . . . 0.0 114.545 -166.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.541 HG23 ' NH2' ' B' ' 113' ' ' ARG . 31.1 mt -110.61 111.95 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 124.431 1.093 . . . . 0.0 111.584 179.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -72.97 119.77 17.68 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.887 -1.133 . . . . 0.0 108.053 163.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 28.1 mm -83.46 126.17 72.13 Favored Pre-proline 0 CA--C 1.544 0.743 0 O-C-N 120.419 -1.426 . . . . 0.0 109.238 168.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -49.72 137.96 33.57 Favored 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.604 2.202 . . . . 0.0 112.717 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 50.0 m -47.38 -44.49 24.28 Favored 'General case' 0 C--N 1.321 -0.653 0 C-N-CA 125.129 1.372 . . . . 0.0 111.682 174.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.52 -44.71 69.34 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 171.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 26.2 mm -55.79 -52.9 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 O-C-N 120.719 -1.238 . . . . 0.0 109.315 172.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.83 -45.38 87.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.861 -0.524 . . . . 0.0 110.441 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.675 ' CD ' ' HZ1' ' B' ' 64' ' ' LYS . 15.2 tp10 -48.42 -59.28 3.59 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.628 1.171 . . . . 0.0 112.546 171.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.81 -54.79 18.94 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 122.022 -0.424 . . . . 0.0 111.637 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -48.47 -48.85 37.46 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.464 1.106 . . . . 0.0 111.718 -175.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.3 t -53.74 -41.5 47.81 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 C-N-CA 124.835 1.254 . . . . 0.0 112.534 174.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -67.37 -53.59 28.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.776 0.83 . . . . 0.0 111.554 173.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -62.55 -32.15 73.06 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.018 -1.051 . . . . 0.0 113.381 -174.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? 62.87 51.96 2.81 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 157.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 25.4 mt -66.82 179.58 1.07 Allowed 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.232 0.826 . . . . 0.0 113.232 -179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -105.82 -43.83 4.79 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.421 1.088 . . . . 0.0 113.536 -167.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.7 t -120.7 152.85 37.73 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 115.125 1.528 . . . . 0.0 115.125 -173.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -39.22 -48.44 1.78 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 128.67 2.788 . . . . 0.0 112.137 167.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.8 mm100 -62.07 -43.57 98.56 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.475 0.655 . . . . 0.0 111.793 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -67.73 -46.28 72.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 121.155 -0.966 . . . . 0.0 111.025 -177.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 19.1 m -64.68 -44.59 96.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-O 118.611 -0.709 . . . . 0.0 109.655 177.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.26 2.1 pp -62.43 -42.16 99.24 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.942 1.247 . . . . 0.0 112.079 177.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -61.58 -55.4 31.22 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 118.98 0.809 . . . . 0.0 110.766 178.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -59.67 -52.27 66.25 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.839 0.456 . . . . 0.0 110.987 -177.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -52.6 -55.12 12.45 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.212 0 O-C-N 121.691 -0.631 . . . . 0.0 111.501 175.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -66.98 -30.66 70.85 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 120.32 -1.487 . . . . 0.0 113.257 -175.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 85.2 m -60.12 -60.3 4.04 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.564 -0.71 . . . . 0.0 111.651 165.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -55.86 -37.25 68.52 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 122.4 1.095 . . . . 0.0 112.355 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.541 ' NH2' HG23 ' B' ' 84' ' ' ILE . 57.2 ttt85 -68.71 -27.83 66.3 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.904 1.681 . . . . 0.0 111.405 176.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 70.5 m -78.93 -37.44 39.74 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.554 -1.341 . . . . 0.0 113.002 170.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -49.27 -59.46 3.67 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.763 0.71 . . . . 0.0 111.163 159.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -50.97 -47.89 61.23 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.15 -0.969 . . . . 0.0 113.146 175.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 ttpm? -50.09 -49.45 51.47 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.052 -1.03 . . . . 0.0 111.765 173.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 36.4 mt -66.43 -44.08 83.86 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -50.38 -40.42 49.6 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.052 -1.655 . . . . 0.0 111.409 169.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -81.18 13.72 2.7 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 120.513 -1.367 . . . . 0.0 113.05 177.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -125.62 -23.17 4.1 Favored 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 127.142 2.177 . . . . 0.0 113.542 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -59.79 163.06 4.74 Favored 'General case' 0 CA--C 1.555 1.156 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.57 116.64 18.29 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 115.549 1.685 . . . . 0.0 115.549 -178.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.495 HD13 ' H ' ' B' ' 126' ' ' ARG . 1.2 tm? -99.62 112.92 25.09 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.764 -1.21 . . . . 0.0 110.641 167.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.48 18.58 5.19 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -170.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.629 ' NH1' HD13 ' A' ' 106' ' ' LEU . 2.6 mmt180 67.55 -35.51 0.27 Allowed 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 118.064 2.616 . . . . 0.0 118.064 170.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.28 51.76 25.74 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 -159.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 32.2 m 64.76 -73.16 0.06 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.217 1.407 . . . . 0.0 112.439 -169.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 18.7 tp -157.53 144.28 18.08 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.046 0.939 . . . . 0.0 110.987 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 126.017 1.727 . . . . 0.0 115.411 179.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.403 ' NE2' ' OD1' ' A' ' 93' ' ' ASP . 0.7 OUTLIER . . . . . 0 CA--C 1.539 0.548 0 N-CA-C 112.98 0.733 . . . . 0.0 112.98 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 85.3 mtp -77.69 -172.12 2.47 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.605 1.162 . . . . 0.0 110.765 157.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -115.48 50.91 0.96 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 128.799 2.84 . . . . 0.0 112.143 -171.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -76.25 68.46 2.65 Favored 'General case' 0 CA--C 1.546 0.808 0 O-C-N 120.373 -1.455 . . . . 0.0 112.065 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.3 p -69.48 -20.0 63.75 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.934 2.094 . . . . 0.0 113.589 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.9 t -65.79 76.14 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 C-N-CA 124.578 1.151 . . . . 0.0 109.806 170.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -80.15 131.81 35.8 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.605 1.562 . . . . 0.0 113.651 -166.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.26 7.8 mp 55.5 58.04 4.88 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 123.537 1.637 . . . . 0.0 109.845 -167.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.2 t -66.53 168.77 8.6 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 114.343 -1.299 . . . . 0.0 111.321 168.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -45.7 -52.9 10.19 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.302 1.041 . . . . 0.0 113.286 -176.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.2 p -59.88 -43.03 94.97 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -66.27 -45.37 80.74 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 122.308 1.051 . . . . 0.0 110.555 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -64.25 -45.61 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 121.286 -0.884 . . . . 0.0 110.84 176.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.16 96.68 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 121.599 -0.688 . . . . 0.0 111.452 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.8 p -67.59 -41.28 85.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.49 -0.756 . . . . 0.0 111.653 177.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -57.06 -36.52 70.63 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 170.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.57 -51.45 42.53 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.5 mt -46.34 -49.93 17.03 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.021 -1.049 . . . . 0.0 112.123 170.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -49.17 -53.14 22.47 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.998 -1.064 . . . . 0.0 112.913 174.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -85.15 -24.79 27.81 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.763 1.394 . . . . 0.0 114.763 -172.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -49.0 -45.09 41.82 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.083 -1.636 . . . . 0.0 109.534 153.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 m -75.66 -7.09 53.44 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 174.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 53.17 73.66 0.35 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 129.214 3.006 . . . . 0.0 114.284 -167.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 67.5 mt -133.65 110.09 14.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 125.798 1.639 . . . . 0.0 110.591 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.4 HH22 ' CD ' ' B' ' 92' ' ' GLU . 26.2 ttt180 -65.37 129.76 40.9 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 119.39 -0.924 . . . . 0.0 109.077 165.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 32.0 mm -96.57 125.74 46.0 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 124.741 1.216 . . . . 0.0 109.042 170.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -53.98 140.54 69.32 Favored 'Trans proline' 0 N--CA 1.455 -0.747 0 C-N-CA 121.851 1.7 . . . . 0.0 112.001 178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 90.6 p -50.16 -36.46 30.29 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.803 -0.561 . . . . 0.0 110.883 163.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.16 -22.01 66.58 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.346 1.458 . . . . 0.0 114.716 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.5 mm -71.63 -53.37 20.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 119.412 -2.055 . . . . 0.0 109.07 163.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 81.1 mt -58.6 -40.56 79.45 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 125.227 1.411 . . . . 0.0 110.275 -169.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -29.63 -71.9 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.648 2.379 . . . . 0.0 112.863 163.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' OD1' ' NE2' ' A' ' 61' ' ' HIS . 13.9 t70 -74.51 -54.52 7.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.016 0.526 . . . . 0.0 110.874 -179.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.433 HD11 HD11 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -38.56 -57.91 1.1 Allowed 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.116 1.766 . . . . 0.0 112.226 -177.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.3 t -54.61 -64.22 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 123.478 0.711 . . . . 0.0 112.33 178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -69.03 -44.74 72.11 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.832 1.196 . . . . 0.0 114.066 -172.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -42.99 86.59 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 -151.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' NE ' ' H ' ' A' ' 99' ' ' LEU . 0.0 OUTLIER -179.91 -153.53 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.911 1.685 . . . . 0.0 110.083 -175.641 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.435 ' H ' ' NE ' ' A' ' 98' ' ' ARG . 0.6 OUTLIER 79.5 139.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 128.096 2.558 . . . . 0.0 111.781 169.107 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 14.1 mp0 -135.44 -40.95 0.71 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.383 1.073 . . . . 0.0 112.211 -172.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 44.3 t -95.27 146.8 24.09 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 176.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -34.82 -47.37 0.34 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 128.133 2.573 . . . . 0.0 111.565 161.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -62.83 -44.78 95.23 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 124.687 1.195 . . . . 0.0 112.338 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -65.89 -49.47 67.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.916 -0.49 . . . . 0.0 111.35 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.2 m -62.13 -40.85 89.01 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.401 0 CA-C-O 118.932 -0.556 . . . . 0.0 109.705 -179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.65 -40.27 92.31 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.875 1.216 . . . . 0.0 112.094 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -59.17 -57.3 13.64 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.19 -0.944 . . . . 0.0 111.102 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -53.43 -57.4 10.79 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.235 1.414 . . . . 0.0 112.193 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.433 HD11 HD11 ' A' ' 94' ' ' LEU . 82.5 mt -54.56 -53.1 34.29 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.408 0 C-N-CA 123.576 0.75 . . . . 0.0 110.873 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -60.33 -40.94 92.42 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.07 -1.019 . . . . 0.0 111.967 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.5 m -58.19 -54.08 51.04 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.18 -0.95 . . . . 0.0 111.764 171.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -64.56 -32.6 74.32 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.372 -1.455 . . . . 0.0 112.235 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 46.6 ttt-85 -67.03 -20.87 65.92 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 119.926 -1.734 . . . . 0.0 111.659 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.285 47.8 m -74.61 -44.26 51.51 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.242 -1.536 . . . . 0.0 112.756 164.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -47.2 -59.07 3.41 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 118.612 0.642 . . . . 0.0 111.587 161.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -51.81 -48.47 63.86 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -57.96 -37.58 74.43 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 120.662 1.573 . . . . 0.0 112.878 174.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 56.9 mt -64.22 -49.08 73.37 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.178 0.899 . . . . 0.0 111.915 173.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -61.57 -25.31 67.24 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 119.956 -1.715 . . . . 0.0 113.48 174.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -88.6 1.66 54.56 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 120.176 -1.578 . . . . 0.0 113.263 173.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -106.16 -60.28 1.67 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.794 2.038 . . . . 0.0 110.89 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -36.17 147.48 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 128.264 2.626 . . . . 0.0 117.322 -166.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 90.72 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.893 2.077 . . . . 0.0 116.522 -169.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.0 tp -76.33 107.92 8.91 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.512 -0.743 . . . . 0.0 110.24 150.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -68.96 27.64 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.911 1.685 . . . . 0.0 115.045 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? 65.61 -63.41 0.21 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.046 2.138 . . . . 0.0 113.872 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.77 -72.25 1.06 Allowed Glycine 0 CA--C 1.537 1.42 0 C-N-CA 123.883 0.754 . . . . 0.0 113.66 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 85.3 p -78.29 50.76 0.95 Allowed 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.192 -1.181 . . . . 0.0 113.65 -171.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.23 66.1 0.63 Allowed 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -169.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 CA--C 1.538 0.482 0 O-C-N 120.636 -1.29 . . . . 0.0 110.881 168.892 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.612 0 CA-C-O 119.199 -0.429 . . . . 0.0 112.032 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 47.5 ttp -129.59 111.61 12.88 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.046 0.939 . . . . 0.0 110.289 169.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.49 62.92 0.55 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.343 1.857 . . . . 0.0 113.8 -167.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -76.2 60.75 1.52 Allowed 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.417 -1.427 . . . . 0.0 112.282 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 36.4 p -44.93 -47.35 11.31 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.132 1.773 . . . . 0.0 112.76 176.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.4 79.86 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 CA-C-O 122.609 1.195 . . . . 0.0 110.158 169.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -78.6 32.86 0.2 Allowed 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 115.933 1.827 . . . . 0.0 115.933 -168.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 1.4 mp -46.74 104.21 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.922 1.689 . . . . 0.0 109.943 164.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.8 t -123.11 -168.38 1.75 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 129.469 3.107 . . . . 0.0 110.97 -179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.9 -71.84 0.07 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -167.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.5 p -65.37 -50.73 64.44 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -170.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 23.2 pm0 -64.8 -38.93 92.65 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 120.704 -1.247 . . . . 0.0 111.824 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 97.5 t -65.8 -43.92 93.15 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 O-C-N 120.926 -1.109 . . . . 0.0 111.455 175.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.12 -44.19 92.01 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 122.238 1.018 . . . . 0.0 111.004 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 40.3 t -69.57 -33.13 55.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 O-C-N 120.736 -1.228 . . . . 0.0 112.067 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -38.42 68.87 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.102 -0.999 . . . . 0.0 112.457 166.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -70.91 -48.74 51.94 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.821 -0.55 . . . . 0.0 109.816 177.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 52.2 mt -51.68 -41.96 61.79 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 120.907 -1.12 . . . . 0.0 111.774 173.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -53.84 -50.28 66.58 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 117.924 -1.036 . . . . 0.0 113.225 172.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -84.32 -30.87 25.19 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 120.807 1.639 . . . . 0.0 114.872 -175.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -55.26 -30.42 60.05 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.071 -1.643 . . . . 0.0 111.354 156.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 44.3 m -82.42 -17.74 44.34 Favored 'General case' 0 CA--C 1.54 0.591 0 N-CA-C 115.07 1.508 . . . . 0.0 115.07 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.444 ' C ' HD12 ' B' ' 84' ' ' ILE . 1.1 m120 83.28 45.05 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 129.844 3.258 . . . . 0.0 112.447 174.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.444 HD12 ' C ' ' B' ' 83' ' ' ASN . 1.9 mp -122.49 109.83 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 127.746 2.418 . . . . 0.0 110.674 -179.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -70.41 117.81 12.43 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 120.859 -1.151 . . . . 0.0 110.1 163.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 27.8 mm -70.23 128.1 91.7 Favored Pre-proline 0 CA--C 1.541 0.609 0 O-C-N 121.116 -0.99 . . . . 0.0 110.764 166.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -56.54 129.52 35.16 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 121.801 1.667 . . . . 0.0 111.122 166.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 58.2 m -44.18 -39.68 4.53 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.646 1.578 . . . . 0.0 112.232 168.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.61 -24.74 34.86 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.398 1.479 . . . . 0.0 114.967 174.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 mm -68.51 -49.61 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 O-C-N 119.633 -1.917 . . . . 0.0 109.958 165.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 68.0 mt -65.18 -35.05 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.472 1.109 . . . . 0.0 111.023 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.4 ' CD ' HH22 ' A' ' 85' ' ' ARG . 35.1 tt0 -39.81 -53.9 2.19 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.088 1.755 . . . . 0.0 112.587 164.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.77 -63.41 1.13 Allowed 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.086 1.755 . . . . 0.0 111.142 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -42.76 56.84 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.024 0.93 . . . . 0.0 113.434 -165.148 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.2 t -50.84 -40.74 20.54 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 C-N-CA 123.794 0.838 . . . . 0.0 113.253 178.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -75.53 -45.06 40.35 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.549 0.613 . . . . 0.0 111.371 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -60.89 -39.59 89.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.822 1.249 . . . . 0.0 112.614 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.16 46.93 18.06 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 158.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 17.5 mt -62.56 162.75 9.93 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 121.343 -0.848 . . . . 0.0 111.836 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -96.48 -47.52 5.93 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -169.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 22.8 t -92.36 150.04 21.07 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.985 1.266 . . . . 0.0 114.129 179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -42.42 -46.95 4.89 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.167 2.587 . . . . 0.0 111.624 165.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -58.31 -46.08 86.83 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.496 -0.753 . . . . 0.0 111.607 176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -67.29 -46.68 72.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.452 -0.78 . . . . 0.0 111.026 -175.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.0 m -64.48 -43.26 96.89 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.308 0 CA-C-O 118.52 -0.752 . . . . 0.0 110.216 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.264 1.4 pp -65.66 -36.95 85.15 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 120.542 1.519 . . . . 0.0 111.926 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -57.86 -60.08 4.26 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.32 -0.863 . . . . 0.0 111.048 173.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -61.14 -50.98 71.01 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.982 -0.448 . . . . 0.0 111.677 -177.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -48.3 -49.36 12.82 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.484 0 O-C-N 121.122 -0.986 . . . . 0.0 111.928 171.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.22 -41.02 92.17 Favored 'General case' 0 CA--C 1.553 1.08 0 O-C-N 120.215 -1.553 . . . . 0.0 113.166 178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 60.3 p -63.43 -48.36 78.08 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.28 -1.513 . . . . 0.0 112.758 171.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.1 -36.59 82.19 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 120.809 -1.182 . . . . 0.0 112.277 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 34.3 ttt180 -65.04 -20.44 66.49 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 127.327 2.251 . . . . 0.0 111.246 169.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.291 61.2 m -83.65 -41.62 17.57 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 119.047 -2.283 . . . . 0.0 114.148 168.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -45.43 -56.05 5.43 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.795 1.179 . . . . 0.0 110.747 158.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -58.89 -38.35 78.67 Favored 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -53.09 -49.65 66.01 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 119.934 -1.729 . . . . 0.0 112.12 166.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 89.0 mt -55.84 -51.49 67.33 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.332 0.969 . . . . 0.0 112.247 175.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -61.04 -28.87 69.37 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.405 -1.434 . . . . 0.0 113.475 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -74.37 -22.92 58.97 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 119.343 -2.098 . . . . 0.0 113.245 169.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -94.36 -44.41 7.94 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.709 2.004 . . . . 0.0 113.493 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 80.4 mttt -40.36 136.45 1.26 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 114.912 1.449 . . . . 0.0 114.912 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 128.65 30.35 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.515 1.126 . . . . 0.0 113.518 172.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 22.0 tp -110.35 125.28 53.03 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 148.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -70.96 -18.94 62.6 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 176.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 75.41 -59.51 0.53 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.173 1.789 . . . . 0.0 113.241 170.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.93 -59.92 1.75 Allowed Glycine 0 CA--C 1.536 1.406 0 C-N-CA 123.743 0.687 . . . . 0.0 113.429 178.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 47.7 m -72.37 55.34 0.33 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.782 1.633 . . . . 0.0 113.798 -177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 29.8 tp -75.75 62.33 1.5 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.971 1.309 . . . . 0.0 110.992 177.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt . . . . . 0 CA--C 1.541 0.597 0 O-C-N 120.975 -1.078 . . . . 0.0 110.981 -179.828 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 CA--C 1.54 0.559 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 53.4 ttm -58.54 120.27 8.54 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 159.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.25 -175.97 2.81 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -174.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -70.12 150.91 46.04 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.13 1.772 . . . . 0.0 112.872 -169.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.8 p -75.26 45.13 0.27 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.521 1.928 . . . . 0.0 112.106 174.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.6 p -76.6 50.13 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 C-N-CA 125.946 1.699 . . . . 0.0 114.472 -163.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.38 63.49 3.26 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 119.807 -1.808 . . . . 0.0 110.729 175.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HB3' HG22 ' A' ' 73' ' ' VAL . 98.6 mt -58.92 100.19 0.06 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.012 1.325 . . . . 0.0 110.821 172.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 73' ' ' VAL . 10.7 t -98.6 176.21 5.73 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.498 1.919 . . . . 0.0 112.537 170.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -36.26 -67.18 0.18 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.165 1.913 . . . . 0.0 116.165 -166.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 29.2 p -64.13 -49.78 70.83 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -173.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.3 pm0 -63.51 -41.08 98.52 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.64 -1.288 . . . . 0.0 111.979 175.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 68' ' ' LEU . 85.3 t -54.71 -49.22 70.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 O-C-N 121.052 -1.03 . . . . 0.0 110.49 174.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.11 -47.1 81.91 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.585 0.707 . . . . 0.0 110.738 -178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . 0.254 21.6 t -73.78 -36.61 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.028 0 O-C-N 121.245 -0.909 . . . . 0.0 112.363 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.8 -45.52 59.31 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.4 1.48 . . . . 0.0 113.345 165.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -66.06 -53.09 42.72 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 87.6 mt -51.64 -41.02 61.01 Favored 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 121.737 -0.602 . . . . 0.0 111.969 175.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -51.2 -52.56 43.25 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 120.163 1.347 . . . . 0.0 112.875 172.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -80.29 -30.25 38.27 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.37 -9.76 3.95 Favored 'General case' 0 CA--C 1.549 0.916 0 O-C-N 120.133 -1.604 . . . . 0.0 112.686 156.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -105.64 -2.34 23.53 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.936 1.695 . . . . 0.0 115.147 166.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 56.23 69.4 0.74 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.416 2.687 . . . . 0.0 113.796 -168.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.3 mt -141.54 112.19 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 126.019 1.728 . . . . 0.0 109.101 173.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -72.64 146.64 46.44 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 117.394 -1.722 . . . . 0.0 109.951 166.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 24.0 mm -99.14 127.29 35.26 Favored Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 124.563 1.145 . . . . 0.0 109.327 171.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -71.03 131.96 20.41 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 122.042 1.828 . . . . 0.0 109.973 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 57.9 m -32.45 -49.3 0.2 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.5 1.92 . . . . 0.0 114.714 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -40.82 -47.09 2.85 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.511 1.3 . . . . 0.0 114.511 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.5 mm -54.34 -52.29 40.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 O-C-N 121.372 -0.83 . . . . 0.0 110.75 173.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 86.8 mt -61.62 -50.65 79.42 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 124.043 0.937 . . . . 0.0 110.261 -176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.86 -53.92 5.68 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.292 1.437 . . . . 0.0 112.358 171.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -65.75 -65.16 0.71 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 122.123 0.963 . . . . 0.0 110.075 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.46 -49.77 63.99 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.141 1.376 . . . . 0.0 113.398 -171.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 77.7 t -53.17 -41.19 41.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 O-C-N 121.553 -0.717 . . . . 0.0 111.632 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 -51.56 47.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.984 1.714 . . . . 0.0 112.797 173.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -52.11 -39.52 59.96 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.718 0.807 . . . . 0.0 112.727 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 61.28 50.83 4.57 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 169.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.4 mt -68.3 160.58 29.11 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.973 170.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -84.56 -59.6 2.32 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.093 -1.005 . . . . 0.0 111.16 -162.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 p -111.42 166.09 11.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.703 1.372 . . . . 0.0 114.703 -173.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.62 -34.71 27.15 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 126.363 1.865 . . . . 0.0 111.766 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -60.91 -45.72 93.51 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 121.153 -0.967 . . . . 0.0 112.394 175.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -73.13 -43.35 61.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.129 -0.357 . . . . 0.0 110.609 -177.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 m -64.46 -41.01 91.05 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.405 0 C-N-CA 119.346 -0.942 . . . . 0.0 109.27 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.305 1.4 pp -63.78 -41.57 97.92 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 120.534 1.515 . . . . 0.0 111.648 175.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -53.69 -57.08 12.11 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 120.281 -1.512 . . . . 0.0 112.216 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -65.95 -52.75 46.96 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.923 -0.485 . . . . 0.0 112.083 -177.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -50.81 -53.16 14.59 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.44 0 O-C-N 121.149 -0.969 . . . . 0.0 110.593 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -57.02 -37.47 71.76 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.452 -1.405 . . . . 0.0 112.23 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 33.3 m -60.38 -59.68 5.02 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.375 0.67 . . . . 0.0 112.001 170.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.16 -34.73 76.97 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.124 -0.985 . . . . 0.0 113.032 -178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -57.59 -46.75 83.63 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.226 -1.546 . . . . 0.0 110.163 168.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.263 66.0 m -60.71 -43.51 97.72 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 120.696 -1.252 . . . . 0.0 114.006 176.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -48.73 -58.44 4.77 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.523 0.601 . . . . 0.0 110.923 160.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -52.32 -43.64 64.65 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -176.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.27 18.6 pttm -59.16 -48.53 81.26 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 118.597 -1.241 . . . . 0.0 112.608 171.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.07 -42.96 99.79 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.655 1.116 . . . . 0.0 112.823 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -54.77 -47.94 73.27 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.55 -1.344 . . . . 0.0 111.485 173.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -71.6 -13.07 61.66 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 120.489 -1.382 . . . . 0.0 114.609 174.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -76.64 -34.25 58.31 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.058 1.343 . . . . 0.0 112.251 172.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 38.0 mtmt -55.49 129.03 37.21 Favored 'General case' 0 CA--C 1.55 0.949 0 O-C-N 121.188 -0.945 . . . . 0.0 113.394 -178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 140.36 39.0 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 127.02 2.128 . . . . 0.0 114.267 174.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.648 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -105.56 135.15 47.49 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.919 0.888 . . . . 0.0 108.613 148.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -73.39 -0.24 14.21 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 174.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.605 ' HD2' HD13 ' B' ' 106' ' ' LEU . 24.7 mmt85 67.91 -69.52 0.14 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.963 1.705 . . . . 0.0 114.139 177.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.64 -66.45 0.29 Allowed Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.217 0.913 . . . . 0.0 113.726 -177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 47.7 t -70.28 67.48 0.32 Allowed 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.242 1.417 . . . . 0.0 114.245 -176.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.8 tt -75.21 58.36 0.92 Allowed 'General case' 0 CA--C 1.545 0.769 0 O-C-N 120.733 -1.229 . . . . 0.0 110.014 166.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 76.1 tttt . . . . . 0 CA--C 1.54 0.565 0 O-C-N 120.551 -1.343 . . . . 0.0 111.662 -167.475 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 17.2 p80 . . . . . 0 CA--C 1.543 0.695 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 62.3 mtt -76.92 42.01 0.3 Allowed 'General case' 0 CA--C 1.544 0.725 0 O-C-N 120.566 -1.334 . . . . 0.0 113.245 175.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -62.8 169.28 3.28 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.165 1.386 . . . . 0.0 110.928 174.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.36 148.92 43.54 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 119.744 -1.848 . . . . 0.0 112.055 -160.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . 0.332 5.9 t 62.95 -52.55 0.18 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 128.326 2.65 . . . . 0.0 117.305 174.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 14.6 p -50.75 122.52 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 O-C-N 120.828 -1.17 . . . . 0.0 112.097 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.59 146.35 52.17 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -177.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 8.9 mp 45.05 76.72 0.08 Allowed 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 164.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 17.9 t -79.73 -179.46 6.92 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.478 1.511 . . . . 0.0 111.586 165.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.92 -58.7 6.53 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.484 1.29 . . . . 0.0 114.484 -166.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 28.7 p -63.18 -50.63 69.58 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.326 0.862 . . . . 0.0 113.326 -172.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 16.2 pm0 -63.24 -37.48 87.39 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.693 -1.254 . . . . 0.0 111.798 178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.13 -44.84 92.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 O-C-N 121.308 -0.87 . . . . 0.0 111.41 174.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.17 92.01 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 122.396 1.093 . . . . 0.0 111.212 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.6 HG12 ' CE2' ' B' ' 79' ' ' TYR 0.252 11.9 t -74.73 -28.65 22.0 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 O-C-N 120.707 -1.246 . . . . 0.0 112.25 -179.006 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.51 -37.4 62.75 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.556 -1.34 . . . . 0.0 112.605 168.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -69.31 -52.54 26.33 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 72.3 mt -49.98 -42.67 49.42 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 120.703 -1.248 . . . . 0.0 111.935 172.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.648 ' CE1' HD12 ' A' ' 124' ' ' LEU . 25.7 m-85 -55.28 -57.5 11.54 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.627 -1.295 . . . . 0.0 113.391 172.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -77.71 -31.92 52.64 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 120.128 1.331 . . . . 0.0 113.69 -171.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -48.09 -45.59 32.83 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 122.949 1.357 . . . . 0.0 111.203 158.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 7.3 t -75.39 -5.78 46.65 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.326 1.05 . . . . 0.0 113.528 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 57.28 57.3 4.55 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 127.86 2.464 . . . . 0.0 112.648 -167.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 85.5 mt -115.98 100.85 11.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 124.243 1.017 . . . . 0.0 111.231 169.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.96 75.14 4.5 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.471 0.653 . . . . 0.0 109.963 176.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 30.4 mm -37.83 127.97 0.95 Allowed Pre-proline 0 CA--C 1.555 1.137 0 C-N-CA 126.008 1.723 . . . . 0.0 113.425 174.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -53.27 145.21 45.42 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.282 2.655 . . . . 0.0 112.707 168.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -51.38 -44.81 62.25 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.838 -0.539 . . . . 0.0 111.068 166.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -56.02 -41.92 75.67 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.031 1.333 . . . . 0.0 112.823 -178.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 20.2 mm -54.38 -53.18 32.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 120.513 -1.367 . . . . 0.0 111.398 169.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 78.0 mt -60.28 -47.98 90.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.715 0.806 . . . . 0.0 110.322 -176.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -47.38 -59.23 3.35 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.427 1.491 . . . . 0.0 112.059 170.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -54.79 -53.67 52.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.576 1.15 . . . . 0.0 110.547 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.26 -51.17 69.13 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.315 -0.866 . . . . 0.0 112.919 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 67.2 t -56.28 -38.62 55.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.65 0 C-N-CA 124.968 1.307 . . . . 0.0 111.877 174.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -61.57 -59.28 5.45 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.288 -0.882 . . . . 0.0 111.781 170.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -61.68 -64.59 0.89 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.811 -1.18 . . . . 0.0 112.266 -175.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 69.94 84.19 0.15 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.552 2.341 . . . . 0.0 114.039 -172.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.51 164.56 23.81 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.813 0.845 . . . . 0.0 111.07 169.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -80.01 -61.57 1.95 Allowed 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.649 -1.282 . . . . 0.0 110.067 -162.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 20.3 p -105.72 166.08 10.71 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 115.198 1.555 . . . . 0.0 115.198 -173.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -48.63 -42.25 33.61 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 127.747 2.419 . . . . 0.0 111.846 171.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -59.91 -47.08 87.25 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.34 -0.85 . . . . 0.0 112.052 176.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.29 -44.77 78.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.528 -0.733 . . . . 0.0 111.312 -177.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 16.1 m -65.76 -40.53 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 119.508 -0.877 . . . . 0.0 110.171 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.605 HD13 ' HD2' ' A' ' 126' ' ' ARG 0.283 1.3 pp -62.86 -36.76 84.35 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 120.405 1.457 . . . . 0.0 112.722 174.666 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.55 ' N ' HD12 ' B' ' 106' ' ' LEU . 92.3 m-20 -59.78 -60.2 4.21 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 119.132 0.878 . . . . 0.0 111.601 173.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -59.02 -51.42 70.15 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.064 0.546 . . . . 0.0 111.557 -178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.1 mt -54.29 -54.26 22.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 O-C-N 121.359 -0.838 . . . . 0.0 111.494 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -57.2 -37.72 72.6 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.482 -1.386 . . . . 0.0 112.669 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 48.0 m -59.88 -57.63 12.05 Favored 'General case' 0 N--CA 1.468 0.435 0 O-C-N 121.735 -0.603 . . . . 0.0 111.629 171.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -60.76 -36.72 79.64 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.995 -1.065 . . . . 0.0 113.165 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -56.8 -45.76 82.02 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 120.046 -1.659 . . . . 0.0 110.988 167.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.281 99.6 m -61.32 -46.88 88.45 Favored 'General case' 0 CA--C 1.533 0.312 0 O-C-N 120.561 -1.337 . . . . 0.0 113.72 176.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -46.77 -60.48 2.38 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.379 0.536 . . . . 0.0 111.259 161.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 8.4 m95 -49.94 -44.87 50.77 Favored 'General case' 0 CA--C 1.536 0.409 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.294 18.8 pttm -61.08 -41.6 96.95 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.128 -1.608 . . . . 0.0 112.968 172.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.5 -47.2 84.91 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.71 1.141 . . . . 0.0 112.37 171.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -52.86 -48.33 67.15 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 120.48 -1.387 . . . . 0.0 111.879 172.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -76.72 -11.56 59.86 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -178.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -84.82 -43.25 14.34 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.373 1.869 . . . . 0.0 111.597 167.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 36.6 mtmt -52.96 145.88 12.01 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.757 1.762 . . . . 0.0 115.757 -171.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 119.87 5.33 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 129.911 3.284 . . . . 0.0 113.614 175.331 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.1 tp -118.65 121.73 40.85 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 150.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.72 18.55 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -178.291 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.24 -57.64 0.23 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.839 2.055 . . . . 0.0 114.11 -173.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.64 -92.91 0.62 Allowed Glycine 0 CA--C 1.534 1.219 0 O-C-N 121.507 -0.746 . . . . 0.0 112.622 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.8 t -80.15 55.29 2.14 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.463 1.131 . . . . 0.0 113.133 -174.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 28.1 tp -67.86 153.06 44.53 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.763 1.625 . . . . 0.0 112.611 -177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 5.8 mptt . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 124.734 1.214 . . . . 0.0 110.599 168.231 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 19.5 p80 . . . . . 0 CA--C 1.542 0.635 0 CA-C-O 121.242 0.544 . . . . 0.0 112.405 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 41.2 ttp -78.56 53.67 1.35 Allowed 'General case' 0 CA--C 1.547 0.861 0 O-C-N 120.954 -1.091 . . . . 0.0 111.438 175.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -83.65 -169.2 2.44 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.954 1.302 . . . . 0.0 112.742 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -137.3 56.13 1.79 Allowed 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.373 1.069 . . . . 0.0 111.066 169.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.5 m -152.64 -51.49 0.11 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.477 1.111 . . . . 0.0 110.747 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.15 9.67 6.97 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 126.553 1.941 . . . . 0.0 113.164 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -69.76 55.61 0.13 Allowed 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 126.188 1.795 . . . . 0.0 114.659 178.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.6 mt -68.89 103.58 1.84 Allowed 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.331 1.052 . . . . 0.0 109.212 166.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.14 173.69 2.98 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.242 0.617 . . . . 0.0 111.113 167.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.41 72.88 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -165.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.0 p -61.4 -53.34 57.86 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.468 -0.77 . . . . 0.0 112.842 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.7 pm0 -63.53 -38.43 91.09 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 120.163 -1.586 . . . . 0.0 112.834 179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -44.81 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 O-C-N 120.912 -1.117 . . . . 0.0 111.356 176.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.83 87.56 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 122.032 0.92 . . . . 0.0 110.962 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.3 t -66.86 -27.7 40.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 121.234 -0.916 . . . . 0.0 111.584 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.3 tp -73.43 -30.22 63.08 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 120.915 -1.115 . . . . 0.0 112.731 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.86 -50.85 72.47 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 166.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.3 mt -55.29 -41.75 72.72 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.009 -1.057 . . . . 0.0 111.683 175.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.629 ' CE1' HD12 ' B' ' 124' ' ' LEU . 20.8 m-85 -51.85 -61.71 2.09 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.066 1.303 . . . . 0.0 113.353 169.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -72.55 -37.89 68.12 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 120.13 1.332 . . . . 0.0 112.401 -171.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -59.12 -33.11 70.48 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 120.504 -1.373 . . . . 0.0 112.222 167.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.7 p -75.96 -15.69 60.12 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.02 -1.675 . . . . 0.0 113.798 169.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 66.15 59.09 0.69 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 129.401 3.081 . . . . 0.0 113.23 -167.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 78.8 mt -119.13 118.5 57.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 125.885 1.674 . . . . 0.0 109.878 164.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 36.7 ttp85 -80.18 150.16 30.24 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.849 0.833 . . . . 0.0 110.723 165.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 38.0 mm -109.44 129.05 24.36 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 126.096 1.758 . . . . 0.0 109.937 177.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -61.55 138.12 73.64 Favored 'Trans proline' 0 C--N 1.351 0.684 0 C-N-CA 122.465 2.11 . . . . 0.0 111.114 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.7 m -50.73 -34.46 27.11 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.167 0.987 . . . . 0.0 112.666 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.8 -44.95 63.69 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.209 -0.932 . . . . 0.0 113.495 172.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 19.9 mm -55.87 -48.91 77.72 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 O-C-N 120.88 -1.137 . . . . 0.0 110.109 173.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.37 -46.46 95.36 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -175.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -45.93 -58.93 3.14 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.576 1.15 . . . . 0.0 112.413 169.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -63.38 -59.49 4.62 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 121.685 0.755 . . . . 0.0 109.993 -177.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -43.59 66.17 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.217 1.007 . . . . 0.0 112.955 -175.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 43.2 t -48.63 -49.37 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 O-C-N 120.992 -1.068 . . . . 0.0 111.766 171.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -64.28 -50.8 66.49 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.911 1.285 . . . . 0.0 112.693 175.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 35.9 mm-40 -72.74 72.76 1.07 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 127.216 2.206 . . . . 0.0 109.675 -173.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -70.2 72.42 0.45 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -170.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.7 mt -64.21 163.69 12.29 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.502 1.921 . . . . 0.0 110.733 164.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -88.47 -65.46 1.02 Allowed 'General case' 0 CA--C 1.537 0.474 0 O-C-N 121.474 -0.766 . . . . 0.0 111.267 -174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 95.7 p -104.16 162.88 12.8 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 115.261 1.578 . . . . 0.0 115.261 -165.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -45.64 -42.26 11.19 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.996 2.118 . . . . 0.0 110.916 169.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -60.37 -46.26 90.59 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 121.297 -0.877 . . . . 0.0 111.994 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -68.09 -48.61 65.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 121.734 -0.604 . . . . 0.0 111.393 178.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.6 m -64.32 -38.09 81.62 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.294 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.8 -177.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.256 1.2 pp -65.19 -36.97 85.85 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 118.218 -1.393 . . . . 0.0 111.852 174.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -59.53 -58.66 7.65 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 120.805 -1.184 . . . . 0.0 111.424 174.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -61.15 -51.69 68.0 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.214 0.605 . . . . 0.0 111.651 -177.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.1 mt -53.3 -55.43 12.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 O-C-N 121.465 -0.772 . . . . 0.0 110.938 176.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.19 -34.79 64.19 Favored 'General case' 0 CA--C 1.554 1.113 0 O-C-N 120.968 -1.083 . . . . 0.0 112.035 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.9 m -65.61 -59.23 4.16 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.742 0.817 . . . . 0.0 113.173 172.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -60.09 -37.36 79.73 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 120.57 -1.331 . . . . 0.0 112.173 178.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 63.3 ttt-85 -57.06 -34.87 68.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.251 -1.531 . . . . 0.0 111.426 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.275 88.9 m -72.25 -35.83 68.91 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 119.988 -1.695 . . . . 0.0 114.337 169.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.02 -59.02 4.29 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 119.93 1.241 . . . . 0.0 110.67 159.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 41.3 m95 -52.95 -41.82 64.88 Favored 'General case' 0 CA--C 1.535 0.401 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -56.36 -55.02 38.65 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.734 -1.229 . . . . 0.0 112.17 173.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.7 mt -66.26 -34.62 78.42 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -55.37 -63.64 1.1 Allowed 'General case' 0 CA--C 1.535 0.385 0 O-C-N 120.689 -1.257 . . . . 0.0 110.32 168.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -62.04 -10.8 10.96 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -68.66 -44.48 74.01 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.137 1.375 . . . . 0.0 112.186 165.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -62.24 135.51 57.51 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.028 0.931 . . . . 0.0 111.998 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -112.03 129.8 56.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.024 1.73 . . . . 0.0 111.527 -171.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 tp -75.65 101.5 5.0 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 120.969 -1.082 . . . . 0.0 109.595 170.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -75.75 43.51 0.26 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.234 1.413 . . . . 0.0 112.195 -176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? 65.38 -58.72 0.28 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 127.162 2.185 . . . . 0.0 115.814 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 63.33 -88.44 0.06 OUTLIER Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.081 0.848 . . . . 0.0 112.33 -171.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 17.2 t -74.67 80.15 2.03 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.695 -1.474 . . . . 0.0 111.648 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 10.3 mp -47.27 127.29 10.56 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.021 0.928 . . . . 0.0 112.286 172.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm . . . . . 0 N--CA 1.468 0.453 0 C-N-CA 124.06 0.944 . . . . 0.0 110.204 171.05 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 7.0 p80 . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 25.9 ttp 64.65 44.01 4.04 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 158.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.66 74.83 0.07 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.742 1.617 . . . . 0.0 111.133 160.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 46.3 mmtt -61.18 -179.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.697 1.999 . . . . 0.0 112.153 169.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 91.1 m 69.22 -61.13 0.44 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 126.294 1.838 . . . . 0.0 111.672 -178.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 t -67.35 65.8 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 CA-C-O 122.927 1.346 . . . . 0.0 109.441 159.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -73.46 148.89 42.77 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.923 1.289 . . . . 0.0 109.664 170.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 8.5 mp 54.26 70.92 0.56 Allowed 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.272 1.034 . . . . 0.0 112.996 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.3 p -80.5 -179.95 7.43 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.203 -0.935 . . . . 0.0 112.374 166.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.39 -55.73 17.0 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 -167.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 31.2 p -65.34 -50.92 63.77 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.428 -0.795 . . . . 0.0 113.072 -173.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pm0 -62.67 -38.02 88.71 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 119.864 1.211 . . . . 0.0 112.07 176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 48.9 t -60.7 -48.77 87.28 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 121.295 -0.878 . . . . 0.0 111.47 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.29 -42.18 81.25 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 122.312 1.053 . . . . 0.0 111.403 -178.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.574 HG12 ' CE2' ' B' ' 79' ' ' TYR . 13.4 t -73.58 -35.64 45.31 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 O-C-N 121.509 -0.744 . . . . 0.0 112.083 175.21 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.12 -34.96 72.65 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 172.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.04 -61.65 2.42 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 107.492 -1.299 . . . . 0.0 107.492 169.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 27.7 mt -55.95 -31.47 62.97 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 113.131 0.789 . . . . 0.0 113.131 -176.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.574 ' CE2' HG12 ' B' ' 75' ' ' VAL . 12.8 m-85 -56.29 -57.08 13.77 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 119.459 1.027 . . . . 0.0 111.769 168.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -73.34 -28.09 61.87 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.997 0.817 . . . . 0.0 112.659 -176.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -58.49 -37.79 76.28 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.401 -1.437 . . . . 0.0 111.434 161.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 38.2 m -77.99 4.57 11.85 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 120.785 -1.197 . . . . 0.0 113.361 168.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m120 48.17 55.59 8.55 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.886 2.074 . . . . 0.0 112.295 -170.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 42.3 mt -118.46 98.88 6.98 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.202 1.801 . . . . 0.0 111.404 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.03 114.46 9.11 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 121.72 -0.612 . . . . 0.0 109.782 176.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 47.0 mm -78.94 122.37 84.48 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 120.889 -1.132 . . . . 0.0 111.079 177.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -53.94 141.5 66.97 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 123.081 2.521 . . . . 0.0 112.13 170.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 78.0 p -48.45 -48.63 37.37 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.046 0.938 . . . . 0.0 112.48 175.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -43.11 -49.89 6.24 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.956 1.302 . . . . 0.0 113.888 171.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 31.0 mm -57.11 -47.53 83.64 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 O-C-N 120.756 -1.215 . . . . 0.0 110.684 174.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 31.4 mt -59.93 -44.91 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.554 0 O-C-N 121.49 -0.756 . . . . 0.0 110.599 -178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 27.8 tp10 -54.36 -60.59 3.14 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.025 1.33 . . . . 0.0 112.352 173.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -53.85 -53.22 55.52 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.415 1.486 . . . . 0.0 110.411 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -45.64 92.45 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 120.96 -1.087 . . . . 0.0 112.479 -177.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 70.6 t -57.82 -30.64 38.36 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 O-C-N 120.677 -1.265 . . . . 0.0 112.6 169.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -67.33 -52.61 38.2 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.999 -1.063 . . . . 0.0 113.096 171.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -71.99 -38.92 69.58 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.248 -0.907 . . . . 0.0 113.073 -178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 27.31 84.7 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 128.848 2.859 . . . . 0.0 113.567 -170.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 mt -72.22 168.82 17.46 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.325 1.05 . . . . 0.0 110.773 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -77.07 -65.92 0.89 Allowed 'General case' 0 CA--C 1.534 0.35 0 O-C-N 120.808 -1.183 . . . . 0.0 110.177 -170.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.3 t -84.86 152.16 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -172.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 76.9 mt-10 -42.45 -41.79 3.04 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.8 0.81 . . . . 0.0 112.152 158.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 31.0 mm100 -59.58 -45.88 90.57 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.295 -0.878 . . . . 0.0 111.583 179.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -67.38 -48.38 67.56 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.523 -0.735 . . . . 0.0 110.817 -178.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 10.8 m -64.37 -39.27 84.94 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.358 0 C-N-CA 119.596 -0.842 . . . . 0.0 109.967 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.251 1.2 pp -66.79 -39.63 87.85 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 120.131 1.332 . . . . 0.0 111.889 177.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -57.5 -57.83 10.98 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 118.735 0.698 . . . . 0.0 110.868 174.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -59.85 -52.32 65.94 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.493 0.717 . . . . 0.0 111.846 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.9 mt -53.52 -54.18 20.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 O-C-N 121.285 -0.885 . . . . 0.0 110.97 177.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.52 -37.39 70.39 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.671 -1.268 . . . . 0.0 112.019 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 55.4 m -62.15 -56.49 18.23 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.545 -0.722 . . . . 0.0 112.434 172.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.97 -34.92 78.53 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 120.822 -1.174 . . . . 0.0 112.771 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -59.51 -41.73 90.58 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 119.655 -1.903 . . . . 0.0 111.238 166.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.279 99.9 m -60.13 -44.08 95.2 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 120.367 -1.458 . . . . 0.0 114.144 171.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -48.63 -54.45 14.6 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.899 0.772 . . . . 0.0 111.137 162.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 7.4 m95 -53.68 -49.67 67.51 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.301 18.5 pttm -56.19 -36.47 68.43 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 121.207 1.822 . . . . 0.0 113.357 174.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 49.6 mt -65.41 -49.87 67.61 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.455 1.025 . . . . 0.0 112.611 172.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -52.37 -40.62 62.25 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 120.152 -1.592 . . . . 0.0 112.535 171.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -74.13 -11.83 60.42 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.834 1.254 . . . . 0.0 113.237 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -94.28 -49.33 5.77 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.64 1.976 . . . . 0.0 111.794 177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -40.35 145.76 0.16 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.986 1.847 . . . . 0.0 115.986 -170.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 115.78 1.9 Allowed 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.462 2.305 . . . . 0.0 114.34 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.629 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -104.51 128.39 52.43 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 119.106 0.866 . . . . 0.0 109.239 148.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -72.26 -2.21 18.15 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.787 1.235 . . . . 0.0 113.877 172.321 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.479 ' H ' HD22 ' B' ' 124' ' ' LEU . 0.3 OUTLIER 70.99 -47.62 0.66 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.652 1.981 . . . . 0.0 114.606 178.21 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 72.27 -68.4 1.15 Allowed Glycine 0 CA--C 1.534 1.277 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -173.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 32.3 t -68.35 79.21 0.25 Allowed 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 122.765 1.269 . . . . 0.0 110.37 164.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 30.3 mt -74.76 52.04 0.51 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.395 1.478 . . . . 0.0 113.524 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 19.6 mtpp . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 125.588 1.555 . . . . 0.0 114.218 174.47 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 5.5 m80 . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 121.099 0.476 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 75.8 mtp -77.83 58.44 1.88 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.114 1.366 . . . . 0.0 111.902 -175.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -151.24 161.29 42.99 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.117 0.967 . . . . 0.0 112.616 -176.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -48.46 91.05 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.732 2.013 . . . . 0.0 113.061 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.92 32.35 0.14 Allowed 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -162.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -78.92 155.76 4.86 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.58 1.152 . . . . 0.0 111.089 172.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.59 134.72 23.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.312 1.445 . . . . 0.0 114.822 175.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.0 mp 49.2 70.0 0.52 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.023 1.329 . . . . 0.0 113.408 172.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -83.38 176.97 8.7 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.857 0.863 . . . . 0.0 112.467 166.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.82 -57.06 3.46 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.955 1.302 . . . . 0.0 114.328 -171.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.6 p -57.61 -61.92 2.16 Favored 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.801 1.038 . . . . 0.0 113.801 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 pm0 -63.11 -30.84 71.91 Favored 'General case' 0 CA--C 1.545 0.756 0 O-C-N 120.365 -1.459 . . . . 0.0 112.778 -178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.42 -46.86 91.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 O-C-N 121.02 -1.05 . . . . 0.0 111.43 172.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.67 -38.0 86.17 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 123.09 1.424 . . . . 0.0 111.394 175.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.677 HG21 HG23 ' A' ' 105' ' ' VAL . 4.2 t -67.11 -36.35 76.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 119.839 -1.788 . . . . 0.0 112.017 173.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 mt -58.56 -30.36 67.08 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 167.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -47.07 71.93 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.675 -0.641 . . . . 0.0 110.095 176.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.549 ' HB3' HD11 ' B' ' 124' ' ' LEU . 10.1 mt -63.6 -38.16 90.07 Favored 'General case' 0 N--CA 1.451 -0.401 0 O-C-N 121.539 -0.725 . . . . 0.0 110.373 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.697 ' CE1' HD12 ' B' ' 124' ' ' LEU . 13.7 m-85 -57.07 -59.12 5.54 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 118.096 -0.954 . . . . 0.0 113.568 171.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -69.42 -28.54 66.22 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 120.585 1.539 . . . . 0.0 112.416 -176.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -53.01 -45.76 68.08 Favored 'General case' 0 CA--C 1.548 0.876 0 O-C-N 120.868 -1.145 . . . . 0.0 111.385 162.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.6 p -81.51 5.28 18.36 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 173.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 35.65 65.72 0.39 Allowed 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.747 2.019 . . . . 0.0 114.355 -159.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.63 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 11.3 mt -110.45 107.2 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 120.635 -1.291 . . . . 0.0 112.295 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.7 ttp85 -82.45 140.01 33.65 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.766 -1.209 . . . . 0.0 110.996 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 50.5 mm -108.51 123.52 37.09 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.733 1.213 . . . . 0.0 110.683 -173.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.51 146.15 54.34 Favored 'Trans proline' 0 CA--C 1.542 0.883 0 C-N-CA 122.771 2.314 . . . . 0.0 112.087 169.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.9 p -53.77 -54.25 40.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.003 0.82 . . . . 0.0 112.085 179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -32.63 -54.5 0.35 Allowed 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.447 1.899 . . . . 0.0 114.211 172.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 43.1 mm -49.47 -55.93 3.74 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 O-C-N 121.514 -0.741 . . . . 0.0 110.49 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.88 -46.63 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.681 0 O-C-N 121.428 -0.795 . . . . 0.0 111.861 -179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -48.21 -54.67 12.69 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 126.735 2.014 . . . . 0.0 111.801 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -65.52 -58.08 6.66 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.482 -0.761 . . . . 0.0 111.192 170.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.435 HD23 ' CD2' ' A' ' 108' ' ' TYR . 1.2 tm? -59.53 -41.34 89.78 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -163.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 41.7 t -46.97 -47.99 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 O-C-N 121.22 -0.925 . . . . 0.0 112.802 166.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -46.29 82.88 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.144 0.978 . . . . 0.0 111.673 174.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 66.7 mm-40 -60.6 -44.52 96.18 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.344 -0.848 . . . . 0.0 113.114 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.5 tpp85 39.55 71.08 0.19 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.677 1.591 . . . . 0.0 111.947 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 25.1 mt -63.53 166.06 7.19 Favored 'General case' 0 CA--C 1.535 0.386 0 O-C-N 121.396 -0.815 . . . . 0.0 112.005 -178.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -81.46 -13.6 58.0 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -154.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 59.9 p -146.06 166.14 26.99 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 122.614 1.197 . . . . 0.0 113.202 169.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -50.09 -51.12 45.37 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 125.755 1.622 . . . . 0.0 111.182 175.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -57.26 -40.41 77.6 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.481 1.112 . . . . 0.0 111.794 178.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.95 -48.08 75.33 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.223 -0.923 . . . . 0.0 111.878 179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.677 HG23 HG21 ' A' ' 75' ' ' VAL 0.278 23.2 m -62.36 -39.61 84.89 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 118.883 -1.127 . . . . 0.0 111.135 178.253 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.371 3.7 pp -66.43 -35.25 79.84 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 118.221 -1.391 . . . . 0.0 113.861 174.236 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -59.61 -57.02 14.75 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.955 -1.091 . . . . 0.0 111.597 172.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.435 ' CD2' HD23 ' A' ' 94' ' ' LEU . 88.7 t80 -54.53 -55.59 27.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.044 0.937 . . . . 0.0 111.781 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.4 mt -57.28 -51.81 64.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 118.926 -0.559 . . . . 0.0 111.196 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -49.05 -46.74 44.83 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.715 1.598 . . . . 0.0 111.776 175.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -57.86 -54.06 51.2 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.676 -0.64 . . . . 0.0 111.967 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -63.49 -34.86 78.7 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 121.035 -1.041 . . . . 0.0 113.556 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.63 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 40.5 mtp180 -54.63 -40.66 69.17 Favored 'General case' 0 CA--C 1.533 0.314 0 O-C-N 119.838 -1.789 . . . . 0.0 110.661 166.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.273 51.0 m -67.14 -36.65 82.31 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 171.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -51.11 -54.03 28.78 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 120.448 1.476 . . . . 0.0 111.287 163.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -56.57 -42.36 78.49 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 120.852 -1.155 . . . . 0.0 113.239 175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -50.03 -49.21 51.75 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 120.615 -1.303 . . . . 0.0 110.651 170.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.1 mt -59.89 -49.92 75.82 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 173.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -50.85 -38.5 49.44 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.329 -1.482 . . . . 0.0 112.424 171.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -75.97 -10.9 59.8 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.231 1.412 . . . . 0.0 113.444 177.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -103.19 -38.82 7.11 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.462 2.305 . . . . 0.0 112.528 -175.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -43.89 148.52 0.38 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 124.955 1.302 . . . . 0.0 114.415 178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.56 127.24 32.28 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.087 1.355 . . . . 0.0 113.908 173.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 17.5 tp -96.25 115.54 27.59 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.349 0.977 . . . . 0.0 108.455 149.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.39 31.78 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.035 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.492 ' NE ' HD13 ' B' ' 106' ' ' LEU . 13.0 mmp_? 59.69 -67.75 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.216 2.206 . . . . 0.0 115.63 -179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 65.84 -78.9 0.1 OUTLIER Glycine 0 CA--C 1.537 1.436 0 CA-C-N 119.045 0.838 . . . . 0.0 112.433 -174.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 88.8 p -74.91 66.23 1.51 Allowed 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.32 -1.106 . . . . 0.0 111.742 176.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 37.8 tp -72.61 64.64 0.64 Allowed 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 122.271 1.034 . . . . 0.0 110.572 173.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 83.1 tttt . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 125.155 1.382 . . . . 0.0 110.424 -173.286 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 . . . . . 0 CA--C 1.54 0.56 0 CA-C-O 121.019 0.438 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -72.47 83.25 1.09 Allowed 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.434 -0.791 . . . . 0.0 110.231 174.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -55.59 167.31 0.53 Allowed 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -168.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.84 94.62 4.17 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 126.37 1.868 . . . . 0.0 108.18 166.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 5.2 m -43.11 -47.78 6.15 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 -165.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 59.4 t -51.66 152.92 0.7 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 124.634 1.174 . . . . 0.0 113.606 -177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -57.0 141.37 45.86 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.393 1.077 . . . . 0.0 113.243 176.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 93.7 mt 54.75 70.92 0.57 Allowed 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.379 1.252 . . . . 0.0 114.379 173.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 3.8 t -88.17 -172.04 3.63 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.787 1.235 . . . . 0.0 112.545 163.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.33 -66.59 0.36 Allowed 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -165.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 2.9 p -57.61 -49.61 75.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -175.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -64.7 -39.67 94.05 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.267 -0.896 . . . . 0.0 111.784 178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.13 -47.82 88.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 O-C-N 120.915 -1.116 . . . . 0.0 111.42 172.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.45 -39.97 74.03 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.255 1.026 . . . . 0.0 111.605 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 71.4 t -77.23 -38.0 26.57 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 121.651 -0.655 . . . . 0.0 112.732 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.31 -43.75 67.84 Favored 'General case' 0 N--CA 1.471 0.594 0 O-C-N 120.888 -1.132 . . . . 0.0 112.946 164.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -64.57 -50.17 68.29 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 14.2 mt -48.1 -46.74 34.32 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.204 -0.935 . . . . 0.0 112.887 172.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.477 ' CE2' HG21 ' B' ' 109' ' ' ILE . 21.2 m-85 -49.33 -52.55 27.28 Favored 'General case' 0 CA--C 1.533 0.317 0 O-C-N 120.624 -1.298 . . . . 0.0 112.554 172.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.278 5.6 mm-40 -76.69 -26.37 54.68 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -177.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -53.28 -37.01 61.79 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 119.852 -1.78 . . . . 0.0 110.636 158.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.82 -1.55 54.56 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 172.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 42.69 77.42 0.06 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 128.396 2.678 . . . . 0.0 115.469 -157.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 23.7 mt -131.66 115.43 27.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 125.813 1.645 . . . . 0.0 110.417 170.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -75.2 144.64 42.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 119.011 -1.075 . . . . 0.0 111.229 164.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 14.4 mm -110.41 126.65 28.46 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 125.651 1.58 . . . . 0.0 109.106 172.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -55.18 126.41 22.45 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 122.44 2.094 . . . . 0.0 112.249 169.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 22.0 p -31.98 -60.28 0.26 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 126.766 2.026 . . . . 0.0 113.806 172.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -29.72 -61.28 0.15 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.523 1.929 . . . . 0.0 114.783 172.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 pt -70.25 -29.29 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 120.894 -1.129 . . . . 0.0 113.529 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 20.5 mt -58.05 -46.84 87.99 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 119.827 1.194 . . . . 0.0 109.786 167.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.87 -58.98 5.76 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.095 0.558 . . . . 0.0 110.913 177.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -52.1 -48.03 64.97 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 121.09 -1.006 . . . . 0.0 110.752 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -50.0 72.57 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 121.72 -0.612 . . . . 0.0 111.712 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 46.0 t -53.62 -43.08 53.17 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.559 0.744 . . . . 0.0 112.231 174.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -59.46 -66.27 0.54 Allowed 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 118.746 0.703 . . . . 0.0 111.543 171.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -86.0 51.4 2.2 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.041 -1.037 . . . . 0.0 112.494 178.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -70.2 132.85 46.4 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 120.993 -1.067 . . . . 0.0 113.056 -172.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 30.1 mt -87.71 -173.64 4.41 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.261 1.424 . . . . 0.0 111.809 -174.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -82.81 -44.48 15.46 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.659 -1.276 . . . . 0.0 112.533 -170.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 7.2 t -144.79 164.58 30.6 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 -170.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -37.13 -47.39 0.76 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.883 2.473 . . . . 0.0 113.65 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 28.9 tp60 -59.29 -46.93 87.22 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.423 -0.798 . . . . 0.0 112.053 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -66.63 -47.19 73.38 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 123.082 0.553 . . . . 0.0 110.644 -178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.78 -38.35 82.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.472 0 C-N-CA 119.647 -0.821 . . . . 0.0 110.19 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . 0.492 HD13 ' NE ' ' A' ' 126' ' ' ARG 0.27 0.9 OUTLIER -67.06 -35.43 79.84 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.567 1.53 . . . . 0.0 112.72 174.826 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . 0.406 ' N ' HD12 ' B' ' 106' ' ' LEU . 86.5 m-20 -60.77 -56.62 19.1 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 122.488 1.137 . . . . 0.0 110.656 173.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -62.72 -47.24 84.43 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.769 -177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.477 HG21 ' CE2' ' B' ' 79' ' ' TYR . 90.3 mt -56.22 -48.07 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 O-C-N 120.959 -1.088 . . . . 0.0 112.343 176.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -53.56 -38.84 64.24 Favored 'General case' 0 CA--C 1.551 1.001 0 O-C-N 120.516 -1.365 . . . . 0.0 111.721 173.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 8.0 m -62.67 -56.53 16.84 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.402 -0.811 . . . . 0.0 112.768 170.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -50.44 -52.61 36.36 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.004 1.721 . . . . 0.0 112.964 175.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -64.87 -21.36 66.79 Favored 'General case' 0 CA--C 1.538 0.502 0 O-C-N 119.297 -2.127 . . . . 0.0 111.909 174.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.333 95.0 m -71.36 -38.26 71.59 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 119.846 -1.784 . . . . 0.0 114.194 164.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -51.14 -62.23 1.74 Allowed 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.798 1.181 . . . . 0.0 111.329 159.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 26.2 m95 -56.46 -35.23 67.69 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.011 -1.055 . . . . 0.0 113.661 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -56.5 -51.71 67.49 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.645 -1.285 . . . . 0.0 111.684 171.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.57 -41.88 92.43 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.801 0.81 . . . . 0.0 112.278 177.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -51.13 -51.36 54.25 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 120.187 -1.571 . . . . 0.0 111.006 170.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -77.93 10.68 2.66 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.128 1.771 . . . . 0.0 113.811 174.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -97.51 -33.55 11.33 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.15 1.78 . . . . 0.0 111.342 166.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -53.19 129.69 32.1 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 118.561 0.619 . . . . 0.0 110.774 167.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -116.92 132.97 56.57 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.258 1.823 . . . . 0.0 111.182 -168.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.697 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -80.03 98.73 7.34 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.017 -1.052 . . . . 0.0 109.66 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 4.0 p90 -72.22 7.26 1.79 Allowed 'General case' 0 CA--C 1.547 0.836 0 O-C-N 120.212 -1.555 . . . . 0.0 113.94 -176.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 74.56 -53.83 0.67 Allowed 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.235 1.814 . . . . 0.0 113.468 172.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 76.01 -56.72 3.14 Favored Glycine 0 CA--C 1.537 1.411 0 O-C-N 121.439 -0.788 . . . . 0.0 112.712 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 29.1 t -146.4 174.93 10.94 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.258 1.023 . . . . 0.0 111.453 169.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 64.5 mt -81.92 62.37 5.67 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.092 0.957 . . . . 0.0 111.981 -176.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 22.0 ttpp . . . . . 0 CA--C 1.542 0.648 0 C-N-CA 123.123 0.569 . . . . 0.0 110.877 169.54 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 CA--C 1.544 0.712 0 CA-C-O 120.746 0.307 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 32.2 tpp -78.77 51.63 1.12 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.87 1.268 . . . . 0.0 113.826 -172.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -104.02 80.8 1.78 Allowed 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 126.292 1.837 . . . . 0.0 111.548 -174.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -72.06 70.38 0.78 Allowed 'General case' 0 CA--C 1.545 0.787 0 O-C-N 120.405 -1.434 . . . . 0.0 112.191 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 12.5 t -108.62 -167.31 1.21 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.85 1.26 . . . . 0.0 110.356 167.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.7 t -71.7 67.97 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-O 122.246 1.022 . . . . 0.0 109.343 170.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -99.06 132.74 44.15 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -164.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.9 tp -145.64 73.63 1.35 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.102 1.361 . . . . 0.0 107.492 146.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.8 m -66.22 165.68 13.37 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.156 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -38.22 -56.52 1.19 Allowed 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 115.233 1.568 . . . . 0.0 115.233 -174.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.3 p -58.22 -55.99 27.83 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -66.95 -36.55 82.47 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 119.632 -1.917 . . . . 0.0 112.798 178.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.63 -35.98 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 O-C-N 120.45 -1.406 . . . . 0.0 111.816 174.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.6 -35.98 62.98 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.354 1.062 . . . . 0.0 112.171 176.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.449 HG21 HG23 ' A' ' 105' ' ' VAL . 0.3 OUTLIER -63.93 -40.48 89.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 O-C-N 118.958 -2.339 . . . . 0.0 110.066 172.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 25.1 mt -52.62 -23.29 6.24 Favored 'General case' 0 CA--C 1.544 0.749 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 168.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -41.73 39.84 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.795 -1.191 . . . . 0.0 110.677 170.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 32.1 mt -53.24 -41.69 65.68 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 119.879 -1.763 . . . . 0.0 110.372 169.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.423 ' CD1' HD11 ' A' ' 86' ' ' ILE . 62.5 m-85 -57.86 -60.24 4.01 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.177 -0.952 . . . . 0.0 112.952 172.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -85.53 -27.56 25.5 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -54.53 -20.29 7.54 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 119.863 -1.773 . . . . 0.0 111.76 158.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.46 -4.27 25.66 Favored 'General case' 0 CA--C 1.55 0.953 0 O-C-N 120.382 -1.449 . . . . 0.0 113.607 171.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 39.49 67.95 0.41 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 126.77 2.028 . . . . 0.0 115.234 -158.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 40.9 mt -99.44 117.44 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 C-N-CA 123.39 0.676 . . . . 0.0 111.224 150.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.3 ttt180 -66.57 136.92 56.33 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 164.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.423 HD11 ' CD1' ' A' ' 79' ' ' TYR . 18.0 mm -105.94 125.62 32.7 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.839 1.255 . . . . 0.0 110.182 175.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.34 131.48 45.06 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.975 1.783 . . . . 0.0 110.996 172.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.7 m -43.95 -42.13 5.74 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.182 1.393 . . . . 0.0 112.176 173.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -50.04 -45.88 52.57 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 172.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.2 mm -52.26 -48.68 43.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 121.023 -1.048 . . . . 0.0 110.017 171.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 94.2 mt -66.09 -43.98 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 121.989 -0.444 . . . . 0.0 110.355 -174.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -54.75 -52.76 61.52 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 118.637 0.653 . . . . 0.0 111.991 171.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -59.14 -47.86 83.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.439 1.096 . . . . 0.0 111.146 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 94' ' ' LEU . 0.8 OUTLIER -63.01 -40.59 98.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 120.258 -1.526 . . . . 0.0 112.125 177.08 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.8 t -74.69 24.57 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 C-N-CA 124.243 1.017 . . . . 0.0 111.912 167.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -125.29 -53.85 1.6 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 127.693 2.397 . . . . 0.0 110.211 159.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -78.65 62.41 3.19 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.612 1.165 . . . . 0.0 109.615 173.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 mtp85 -73.78 81.98 1.61 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -166.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.09 170.97 3.21 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 125.516 1.527 . . . . 0.0 112.597 176.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -87.22 -64.15 1.19 Allowed 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.22 -0.925 . . . . 0.0 111.944 -171.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 29.6 p -105.26 159.67 15.7 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 -168.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -45.78 -40.91 10.24 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.228 1.011 . . . . 0.0 113.358 172.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.18 -48.33 82.04 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.857 0.837 . . . . 0.0 110.891 179.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -62.14 -50.26 72.58 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 121.064 -1.023 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.449 HG23 HG21 ' A' ' 75' ' ' VAL . 18.4 m -61.6 -39.5 83.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.28 0 C-N-CA 119.984 -0.687 . . . . 0.0 110.562 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 107' ' ' ASN 0.302 1.3 pp -64.63 -37.01 86.11 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.548 -1.345 . . . . 0.0 113.438 174.738 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.466 ' N ' HD12 ' A' ' 106' ' ' LEU . 68.9 m-80 -58.33 -55.03 40.32 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.777 1.171 . . . . 0.0 110.569 173.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -57.81 -50.49 73.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.847 0.859 . . . . 0.0 112.341 -179.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 67.5 mt -57.92 -50.95 76.15 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 121.306 -0.872 . . . . 0.0 111.224 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -37.67 70.15 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.42 -1.425 . . . . 0.0 112.451 177.757 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.3 m -62.09 -61.15 2.68 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.858 0.863 . . . . 0.0 112.263 172.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -60.22 -34.51 73.75 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.777 -1.202 . . . . 0.0 112.922 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 -59.41 -42.29 91.47 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 119.903 -1.748 . . . . 0.0 111.59 168.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.293 85.5 m -60.07 -44.44 94.74 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 120.558 -1.339 . . . . 0.0 113.252 173.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -48.73 -60.48 2.69 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 118.99 -0.528 . . . . 0.0 111.558 160.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 42.1 m95 -51.18 -43.61 61.35 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -176.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . 0.257 18.3 pttm -59.66 -45.97 90.43 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.217 -1.552 . . . . 0.0 112.614 172.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.45 -41.34 98.67 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.485 1.039 . . . . 0.0 112.316 175.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -53.92 -47.94 70.69 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.301 -1.499 . . . . 0.0 111.259 174.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 -76.24 0.36 19.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 176.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -93.1 -32.19 14.53 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.17 1.788 . . . . 0.0 112.009 171.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -52.92 137.17 33.11 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 -177.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -57.81 134.8 56.59 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 128.526 2.73 . . . . 0.0 115.464 -179.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.62 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.2 OUTLIER -114.97 111.93 21.9 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.112 0.965 . . . . 0.0 109.525 157.223 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -60.49 -46.07 91.44 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -177.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 66.32 87.37 0.12 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.771 1.628 . . . . 0.0 113.679 -174.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -73.21 -56.56 5.62 Favored Glycine 0 CA--C 1.536 1.371 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.595 167.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m -72.13 60.91 0.43 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.359 1.464 . . . . 0.0 114.356 -175.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 82.9 mt -71.05 76.21 0.66 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.969 0.89 . . . . 0.0 111.428 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 CA--C 1.54 0.564 0 O-C-N 120.891 -1.131 . . . . 0.0 111.086 -178.462 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 120.971 0.415 . . . . 0.0 111.796 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.7 ttt -70.28 90.53 0.69 Allowed 'General case' 0 CA--C 1.545 0.775 0 O-C-N 120.92 -1.113 . . . . 0.0 112.345 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -51.2 167.5 0.08 Allowed 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 116.38 1.993 . . . . 0.0 116.38 175.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -134.08 161.99 33.34 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.16 2.184 . . . . 0.0 110.692 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 2.6 m -56.47 -20.42 19.98 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 -173.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -78.47 -16.32 13.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.796 0 C-N-CA 124.108 0.963 . . . . 0.0 112.639 176.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -80.01 156.46 27.15 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.834 1.253 . . . . 0.0 113.267 -167.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 83.9 mt 33.05 67.49 0.17 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.236 1.814 . . . . 0.0 114.569 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 42.0 p -93.59 -177.09 4.28 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.012 1.725 . . . . 0.0 111.015 168.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -39.05 -66.05 0.32 Allowed 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -170.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.1 p -59.21 -51.69 68.91 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -176.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -53.65 -51.68 62.38 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.71 1.141 . . . . 0.0 111.528 174.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 74.4 t -58.24 -39.96 75.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 123.624 0.769 . . . . 0.0 111.886 -177.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.65 -44.77 96.04 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 121.927 0.87 . . . . 0.0 111.553 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.573 HG12 ' CE2' ' B' ' 79' ' ' TYR . 5.4 t -79.46 -33.35 15.26 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.856 0 O-C-N 120.984 -1.072 . . . . 0.0 112.441 -177.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.47 -41.88 3.09 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.12 1.368 . . . . 0.0 113.083 161.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -70.94 -50.32 35.9 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.867 -0.521 . . . . 0.0 110.301 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 95.2 mt -49.82 -37.72 31.67 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.902 -1.124 . . . . 0.0 111.76 172.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.62 ' CE1' HD12 ' A' ' 124' ' ' LEU . 43.5 m-85 -57.84 -60.71 3.28 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 120.555 -1.341 . . . . 0.0 113.078 169.008 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -81.91 -35.52 29.07 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 121.534 1.97 . . . . 0.0 114.356 -170.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -59.59 -21.88 60.98 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 120.221 -1.549 . . . . 0.0 112.301 163.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 18.3 t -75.66 -51.3 13.1 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 119.809 -1.807 . . . . 0.0 112.576 160.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 129.2 31.74 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.769 1 C-N-CA 132.097 4.159 . . . . 0.0 114.147 176.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 67.4 mt -106.76 117.64 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 126.213 1.805 . . . . 0.0 113.573 -176.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -79.33 118.03 20.87 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.722 0.773 . . . . 0.0 110.972 168.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 45.8 mm -86.89 110.89 36.35 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 125.682 1.593 . . . . 0.0 110.043 170.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -65.5 149.15 88.04 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 121.091 1.194 . . . . 0.0 110.913 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 76.0 p -59.72 -32.94 71.01 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 -168.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.39 -46.92 26.42 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.818 0.847 . . . . 0.0 113.119 167.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mt -54.94 -49.57 69.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 O-C-N 120.93 -1.106 . . . . 0.0 109.806 175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 25.2 mt -61.83 -40.63 87.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.893 0.877 . . . . 0.0 110.209 -174.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -57.25 -69.95 0.14 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.661 0.785 . . . . 0.0 111.923 171.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.47 -35.74 60.89 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.418 1.487 . . . . 0.0 111.046 -173.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.89 -67.46 0.43 Allowed 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.171 1.388 . . . . 0.0 111.602 170.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 p -78.17 -30.43 15.86 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 O-C-N 121.013 -1.055 . . . . 0.0 113.677 -160.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 33.0 p30 -56.24 -42.79 77.9 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -73.34 -8.09 54.38 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 173.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 9.3 tpp180 58.51 71.49 0.58 Allowed 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 168.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 20.8 mt -69.57 164.27 23.64 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.004 0.922 . . . . 0.0 111.914 167.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 12.0 tp60 -114.3 -38.53 4.07 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -170.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 34.1 t -107.51 145.06 33.61 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -43.16 -40.01 3.1 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.924 1.69 . . . . 0.0 111.969 164.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 30.4 mm100 -63.01 -46.54 87.17 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.063 -1.023 . . . . 0.0 112.403 174.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -64.33 -44.72 90.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.213 -0.929 . . . . 0.0 110.897 -178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 m -66.43 -42.75 90.9 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.407 0 C-N-CA 119.945 -0.702 . . . . 0.0 110.076 178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.267 2.9 pp -62.66 -38.98 92.45 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.501 1.5 . . . . 0.0 112.386 176.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -62.29 -58.02 9.25 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.861 0.838 . . . . 0.0 110.867 176.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -53.9 -56.12 20.66 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.056 0.942 . . . . 0.0 111.332 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.401 HD13 ' CE2' ' B' ' 79' ' ' TYR . 85.2 mt -53.81 -53.94 23.27 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 C-N-CA 123.333 0.653 . . . . 0.0 110.707 -178.67 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -57.49 -37.54 73.12 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.722 -1.236 . . . . 0.0 112.559 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.5 m -60.53 -57.74 11.45 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.431 -0.793 . . . . 0.0 111.947 170.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -56.49 -39.87 74.0 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.142 1.777 . . . . 0.0 112.679 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 69.1 mtp180 -55.85 -42.18 75.42 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 119.895 -1.753 . . . . 0.0 111.31 167.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . . 85.4 m -71.4 -43.64 66.42 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 120.269 -1.519 . . . . 0.0 113.975 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -47.05 -52.57 14.71 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.704 0.684 . . . . 0.0 111.117 160.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 19.8 m95 -57.71 -39.0 76.21 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 37.0 mtmm -54.73 -52.47 62.4 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.844 -1.16 . . . . 0.0 110.607 168.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 91.4 mt -55.68 -50.54 69.99 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -52.52 -45.41 66.27 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.052 -1.655 . . . . 0.0 112.448 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -72.62 -14.91 61.71 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 119.91 -1.744 . . . . 0.0 114.517 175.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -85.18 -35.08 21.91 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.461 1.905 . . . . 0.0 112.124 171.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 83.2 mttt -48.39 129.27 15.65 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.9 0.88 . . . . 0.0 112.923 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.23 150.53 0.13 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.719 2.008 . . . . 0.0 114.08 167.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.4 tt -134.17 117.76 16.89 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 108.085 -1.079 . . . . 0.0 108.085 153.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -69.45 15.12 0.08 Allowed 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -176.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 12.7 mmp_? 68.49 -49.22 0.56 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.694 1.998 . . . . 0.0 116.179 175.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.83 21.87 73.44 Favored Glycine 0 CA--C 1.54 1.612 0 CA-C-N 118.741 0.7 . . . . 0.0 112.161 -165.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 50.7 m 46.06 -99.14 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.742 1.617 . . . . 0.0 113.698 -175.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 61.6 mt -81.21 60.69 4.43 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.094 0.957 . . . . 0.0 111.626 -176.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 62.6 tttm . . . . . 0 CA--C 1.535 0.398 0 C-N-CA 123.992 0.917 . . . . 0.0 111.537 177.461 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 30.8 p80 . . . . . 0 CA--C 1.544 0.745 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.7 ttm 33.48 75.03 0.05 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.152 2.181 . . . . 0.0 115.454 173.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -62.53 77.47 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.056 1.743 . . . . 0.0 113.757 -172.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 65.57 1.13 Allowed 'General case' 0 CA--C 1.544 0.726 0 O-C-N 120.665 -1.272 . . . . 0.0 110.755 178.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.7 p -73.16 -84.39 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.553 1.541 . . . . 0.0 111.478 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.7 t -78.49 -131.87 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 C-N-CA 125.437 1.495 . . . . 0.0 111.038 -172.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -116.61 65.25 0.71 Allowed 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.174 -1.579 . . . . 0.0 111.939 -174.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.98 96.56 0.05 OUTLIER 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.81 0.844 . . . . 0.0 111.806 172.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.1 p -82.49 -179.27 7.37 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.243 1.017 . . . . 0.0 111.001 168.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.79 -53.7 29.7 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.676 1.732 . . . . 0.0 115.676 -160.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.7 p -59.7 -55.0 39.87 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.041 -1.037 . . . . 0.0 113.546 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.4 pm0 -65.24 -37.58 87.69 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.483 -1.385 . . . . 0.0 112.122 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -42.84 97.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 O-C-N 121.168 -0.957 . . . . 0.0 111.515 174.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.39 -39.05 93.47 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.071 0.939 . . . . 0.0 112.28 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.4 t -67.61 -30.08 47.51 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 120.964 -1.085 . . . . 0.0 111.011 173.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.421 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 8.2 tp -75.2 -30.22 60.57 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.791 1.236 . . . . 0.0 112.417 175.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -57.02 -48.63 78.03 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.128 -0.983 . . . . 0.0 109.023 164.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HB3' HD21 ' B' ' 124' ' ' LEU . 1.2 mt -58.34 -38.17 76.61 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.714 -1.241 . . . . 0.0 113.167 174.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.725 ' CE1' HD12 ' B' ' 124' ' ' LEU . 19.4 m-85 -53.82 -46.78 71.25 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 120.106 -1.621 . . . . 0.0 113.13 167.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -74.47 -38.76 62.83 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 120.071 1.305 . . . . 0.0 112.858 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -48.31 -42.89 32.32 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 121.021 -1.049 . . . . 0.0 110.881 162.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.456 ' OG ' HD23 ' B' ' 124' ' ' LEU . 70.8 m -76.99 -13.45 59.96 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 54.69 76.89 0.22 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.943 2.097 . . . . 0.0 112.243 -162.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.7 mt -133.99 142.25 41.72 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 125.893 1.677 . . . . 0.0 111.472 179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.408 ' H ' ' CD ' ' B' ' 119' ' ' GLU . 45.0 ttt180 -108.71 130.91 55.36 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.146 1.779 . . . . 0.0 110.751 169.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.8 mm -103.21 116.23 62.62 Favored Pre-proline 0 CA--C 1.544 0.733 0 C-N-CA 124.596 1.158 . . . . 0.0 111.214 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -48.06 127.83 15.64 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.328 2.685 . . . . 0.0 112.977 168.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 75.7 p -39.81 -51.22 2.41 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 127.133 2.173 . . . . 0.0 113.408 176.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -38.36 -57.62 1.1 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.82 1.648 . . . . 0.0 113.911 175.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.5 pt -69.46 -29.37 41.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 O-C-N 120.784 -1.198 . . . . 0.0 113.488 178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 23.3 mt -60.79 -45.43 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 O-C-N 120.913 -1.117 . . . . 0.0 110.252 168.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.62 -64.64 0.77 Allowed 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.271 1.028 . . . . 0.0 110.715 175.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -51.98 -49.82 62.5 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 122.349 1.071 . . . . 0.0 110.759 -176.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.35 -52.42 53.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.874 175.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.37 -38.0 72.51 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 CA-C-O 118.34 -0.838 . . . . 0.0 112.847 175.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -58.71 -55.12 39.18 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.732 1.151 . . . . 0.0 112.083 172.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -62.96 -38.34 90.72 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.389 -0.82 . . . . 0.0 112.162 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.24 53.61 2.2 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.566 1.146 . . . . 0.0 113.687 167.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.79 179.52 0.49 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.564 1.146 . . . . 0.0 112.064 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -121.38 -33.72 3.6 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 -170.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 39.4 t -100.55 145.89 27.77 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 121.099 -1.001 . . . . 0.0 113.09 -176.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -47.53 -42.28 23.01 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.29 -0.881 . . . . 0.0 112.53 166.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -63.05 -37.61 87.88 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 120.93 -1.106 . . . . 0.0 113.089 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.1 mt-10 -67.58 -55.6 12.74 Favored 'General case' 0 N--CA 1.452 -0.347 0 O-C-N 122.061 -0.4 . . . . 0.0 110.685 176.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.1 m -66.29 -37.33 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 C-N-CA 119.994 -0.682 . . . . 0.0 110.063 -174.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.544 HD13 ' HD3' ' B' ' 126' ' ' ARG . 1.1 pp -65.61 -38.34 89.16 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 120.596 -1.315 . . . . 0.0 112.186 174.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.267 2.5 p30 -73.42 -45.55 53.89 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 117.897 -1.521 . . . . 0.0 111.315 -178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -56.8 -58.03 9.89 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 122.993 0.517 . . . . 0.0 111.501 172.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 71.3 mt -50.92 -56.51 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 O-C-N 121.477 -0.764 . . . . 0.0 110.839 178.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.63 -29.69 70.3 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 121.092 -1.005 . . . . 0.0 112.47 -176.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.1 m -63.17 -55.29 26.37 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.131 -0.981 . . . . 0.0 112.468 168.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -64.05 -35.29 80.25 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.528 -1.357 . . . . 0.0 110.9 179.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -57.55 -36.69 71.97 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 119.772 -1.83 . . . . 0.0 111.909 167.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 85.2 m -66.2 -43.75 85.87 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 120.436 -1.415 . . . . 0.0 113.246 171.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -47.59 -51.86 19.75 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.682 0.673 . . . . 0.0 110.899 163.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -57.87 -40.96 81.47 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 174.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -52.22 -55.06 23.6 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 120.075 1.307 . . . . 0.0 110.145 171.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 95.3 mt -57.58 -52.07 66.92 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.765 0.426 . . . . 0.0 112.105 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -45.05 -44.1 9.9 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.294 -1.504 . . . . 0.0 113.47 169.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -82.27 -12.07 58.26 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 120.767 -1.208 . . . . 0.0 113.424 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -81.37 -34.53 31.67 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 127.005 2.122 . . . . 0.0 111.604 170.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -51.61 149.25 4.61 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.096 0.559 . . . . 0.0 111.988 169.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -119.73 126.41 51.01 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.208 1.403 . . . . 0.0 111.825 -171.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.5 tp -83.48 103.5 12.88 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 119.245 0.93 . . . . 0.0 109.959 171.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -69.38 1.91 3.47 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.6 1.16 . . . . 0.0 114.032 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? 70.85 -61.05 0.49 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.497 1.919 . . . . 0.0 112.794 -179.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.43 -73.02 0.6 Allowed Glycine 0 CA--C 1.533 1.176 0 C-N-CA 123.236 0.446 . . . . 0.0 112.147 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 33.8 t -69.84 146.92 50.97 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.991 -0.711 . . . . 0.0 111.915 171.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -68.36 168.82 11.8 Favored 'General case' 0 CA--C 1.54 0.577 0 O-C-N 122.02 -0.425 . . . . 0.0 111.223 161.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 59.8 tttm . . . . . 0 CA--C 1.54 0.571 0 O-C-N 121.352 -0.843 . . . . 0.0 111.841 -177.194 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 15.5 p80 . . . . . 0 CA--C 1.541 0.611 0 CA-C-O 121.377 0.608 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -80.47 51.03 1.38 Allowed 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.376 -1.452 . . . . 0.0 112.228 -177.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.93 177.05 5.56 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.655 1.582 . . . . 0.0 112.163 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.78 46.06 1.02 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.822 0.82 . . . . 0.0 111.151 168.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 71.4 p -75.2 -114.09 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.058 -1.026 . . . . 0.0 110.727 177.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 11.7 p -63.23 -35.07 70.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.666 0.786 . . . . 0.0 110.369 164.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -34.16 115.35 0.24 Allowed 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.016 1.726 . . . . 0.0 111.413 161.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 84.0 mt 65.29 89.71 0.09 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.187 0.995 . . . . 0.0 113.162 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 10.1 t -102.26 -178.99 3.86 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.661 1.585 . . . . 0.0 112.012 165.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -37.02 -66.91 0.2 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 126.232 1.813 . . . . 0.0 115.58 -167.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 3.2 p -58.09 -57.5 12.58 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -61.17 -31.57 71.31 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 119.957 1.253 . . . . 0.0 113.121 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.13 -51.55 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.103 -0.998 . . . . 0.0 111.169 172.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.55 -39.61 77.03 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 123.17 1.462 . . . . 0.0 111.607 175.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 t -67.61 -31.44 52.53 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 121.088 -1.008 . . . . 0.0 112.212 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -29.89 65.74 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 169.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -76.32 -51.41 12.01 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.23 -43.11 64.11 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.482 -1.386 . . . . 0.0 111.952 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -52.79 -46.65 67.73 Favored 'General case' 0 C--O 1.227 -0.112 0 O-C-N 120.622 -1.299 . . . . 0.0 112.45 170.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -79.02 -25.89 43.24 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -176.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -58.62 -30.92 67.64 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 119.454 -2.029 . . . . 0.0 111.441 156.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -85.41 0.48 52.08 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 120.422 -1.424 . . . . 0.0 113.579 167.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.7 m120 41.65 60.79 2.06 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 128.667 2.787 . . . . 0.0 114.736 -163.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 11.0 mt -123.85 91.61 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 125.533 1.533 . . . . 0.0 112.409 -173.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 33.1 ttp85 -67.07 137.86 56.71 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 120.614 -1.304 . . . . 0.0 111.144 -177.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.459 HD13 ' NH1' ' B' ' 113' ' ' ARG . 33.4 mm -99.65 115.59 65.5 Favored Pre-proline 0 CA--C 1.545 0.775 0 O-C-N 120.082 -1.636 . . . . 0.0 111.22 179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.559 ' HD3' HH12 ' B' ' 113' ' ' ARG . 32.0 Cg_exo -53.6 141.2 64.12 Favored 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 122.392 2.061 . . . . 0.0 110.446 168.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.5 t -56.28 -17.31 7.26 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.764 -0.585 . . . . 0.0 112.317 171.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.78 -10.62 57.96 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 129.869 3.268 . . . . 0.0 112.113 -176.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 8.2 mm -75.4 -52.14 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 120.244 -1.535 . . . . 0.0 108.884 154.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 71.0 mt -66.59 -30.92 51.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.729 0 C-N-CA 124.352 1.061 . . . . 0.0 111.536 -169.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -43.22 -55.27 4.06 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.81 2.444 . . . . 0.0 111.931 169.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -72.93 -67.35 0.57 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 126.274 1.829 . . . . 0.0 110.699 174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -52.76 11.01 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.87 1.268 . . . . 0.0 113.147 -159.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 83.6 t -53.02 -34.41 20.86 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 124.452 1.101 . . . . 0.0 113.306 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 21.2 m-80 -69.67 -49.58 52.26 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.093 0.557 . . . . 0.0 112.137 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.18 69.6 2.74 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 122.737 1.256 . . . . 0.0 110.215 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -56.0 77.38 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.752 2.021 . . . . 0.0 115.66 -166.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 23.4 mt -61.96 156.75 20.22 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.328 -0.858 . . . . 0.0 111.365 170.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -87.51 -55.28 3.86 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.485 1.514 . . . . 0.0 111.64 -168.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 44.0 t -106.02 150.69 25.5 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -167.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -32.31 -53.57 0.31 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.971 2.108 . . . . 0.0 111.7 156.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -61.4 -42.07 98.15 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.226 -0.922 . . . . 0.0 112.019 -176.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -69.27 -46.83 66.29 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 123.877 0.871 . . . . 0.0 111.211 -178.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.12 -42.28 95.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.301 0 C-N-CA 120.156 -0.618 . . . . 0.0 109.975 176.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.296 3.6 pp -65.81 -35.76 81.59 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.148 1.34 . . . . 0.0 112.984 177.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -60.35 -58.8 6.94 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.146 -0.971 . . . . 0.0 111.222 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -60.89 -44.55 96.95 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.793 -177.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 85.4 mt -58.71 -52.45 59.85 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 O-C-N 120.864 -1.147 . . . . 0.0 112.278 173.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -49.88 -45.08 50.26 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 121.128 1.785 . . . . 0.0 110.982 174.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 11.5 m -57.01 -53.71 55.04 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.471 -0.768 . . . . 0.0 113.031 173.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.7 -27.88 69.21 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 120.703 -1.248 . . . . 0.0 113.422 178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.559 HH12 ' HD3' ' B' ' 87' ' ' PRO . 66.6 mtp85 -68.33 -24.45 64.83 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 119.871 -1.768 . . . . 0.0 111.718 167.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.4 23.5 m -70.69 -40.14 73.09 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 119.637 -1.914 . . . . 0.0 114.995 161.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -51.73 -63.08 1.25 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 120.807 1.639 . . . . 0.0 111.518 162.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -55.16 -39.83 69.94 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -49.44 77.57 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 120.61 1.55 . . . . 0.0 112.097 170.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 85.3 mt -61.66 -42.02 98.34 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.253 0.933 . . . . 0.0 111.95 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . 0.408 ' CD ' ' H ' ' A' ' 85' ' ' ARG . 1.4 tm-20 -55.34 -49.31 72.56 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 123.475 1.607 . . . . 0.0 111.503 171.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.62 -33.61 73.03 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.125 -1.609 . . . . 0.0 112.778 175.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -75.54 -13.48 60.36 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.519 1.928 . . . . 0.0 113.631 176.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 12.2 ttpp -76.49 45.17 0.38 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 -167.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER 32.53 103.97 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 130.734 3.613 . . . . 0.0 118.968 171.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.725 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -82.23 105.01 12.97 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.605 -1.309 . . . . 0.0 109.361 157.361 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -27.25 68.96 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.271 -0.893 . . . . 0.0 113.044 176.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.544 ' HD3' HD13 ' A' ' 106' ' ' LEU . 12.8 ptp180 47.22 29.94 1.32 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.944 2.098 . . . . 0.0 115.13 174.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 48.83 36.25 19.17 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 124.261 0.934 . . . . 0.0 113.108 -172.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 9.4 t 65.92 -65.97 0.17 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.826 1.25 . . . . 0.0 112.165 -163.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 85.8 mt -125.51 127.11 45.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.821 1.649 . . . . 0.0 108.526 166.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 21.2 tptt . . . . . 0 CA--C 1.541 0.626 0 C-N-CA 124.704 1.201 . . . . 0.0 112.056 -169.449 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 7.3 p80 . . . . . 0 CA--C 1.542 0.635 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 47.2 ttm 48.77 61.96 2.82 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.94 1.696 . . . . 0.0 113.141 -176.915 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.5 88.17 0.09 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 122.516 1.15 . . . . 0.0 111.651 176.34 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.22 55.78 0.21 Allowed 'General case' 0 CA--C 1.548 0.892 0 O-C-N 120.755 -1.216 . . . . 0.0 110.286 164.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.3 m 54.23 69.99 0.66 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.021 2.128 . . . . 0.0 112.717 -172.213 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 40.7 t -118.66 -66.89 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 123.96 0.904 . . . . 0.0 112.887 -175.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -83.78 51.59 2.06 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.644 -1.285 . . . . 0.0 113.934 -166.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.558 ' HB3' HG22 ' A' ' 73' ' ' VAL . 2.8 mm? -94.07 117.98 30.88 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.542 1.937 . . . . 0.0 111.211 -179.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.513 ' O ' HG23 ' A' ' 73' ' ' VAL . 7.7 t -98.63 174.27 6.51 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.478 1.911 . . . . 0.0 113.143 170.508 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -33.68 -67.1 0.14 Allowed 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -167.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 26.5 p -63.14 -51.05 68.04 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -176.162 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.1 pm0 -65.89 -33.54 76.06 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 120.44 -1.413 . . . . 0.0 112.807 178.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.558 HG22 ' HB3' ' A' ' 68' ' ' LEU . 40.4 t -62.87 -52.35 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 120.877 -1.139 . . . . 0.0 110.254 171.244 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.83 -37.85 71.82 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 122.609 1.195 . . . . 0.0 111.233 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.0 t -65.96 -40.5 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 O-C-N 121.351 -0.843 . . . . 0.0 111.875 174.312 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.2 -33.38 75.36 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.547 1.314 . . . . 0.0 114.547 171.437 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -68.39 -55.09 13.17 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.96 0.886 . . . . 0.0 108.769 175.142 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.4 mt -49.86 -40.88 44.01 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.064 -1.023 . . . . 0.0 112.409 171.236 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -53.84 -56.57 16.42 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 120.324 -1.485 . . . . 0.0 113.035 171.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -74.55 -31.87 62.25 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 119.523 1.056 . . . . 0.0 112.927 -174.087 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -52.49 -44.17 65.47 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 120.202 -1.562 . . . . 0.0 111.366 160.418 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.6 t -73.25 -2.95 23.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.695 1.198 . . . . 0.0 113.868 174.132 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 62.51 46.04 5.9 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 129.47 3.108 . . . . 0.0 113.545 -175.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.2 mt -113.5 107.05 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.211 1.004 . . . . 0.0 112.081 173.585 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.74 118.18 16.39 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 165.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 45.3 mm -77.31 124.93 86.99 Favored Pre-proline 0 CA--C 1.545 0.763 0 O-C-N 120.394 -1.441 . . . . 0.0 110.542 174.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -70.83 131.25 19.38 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 121.958 1.772 . . . . 0.0 110.123 170.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 m -47.92 -36.66 12.73 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.432 1.893 . . . . 0.0 113.677 -170.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -45.89 -45.22 15.1 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 173.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.3 mm -50.49 -51.9 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-O 121.671 0.748 . . . . 0.0 110.64 170.653 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 71.6 mt -68.71 -46.24 79.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.028 -171.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.0 tp10 -49.83 -49.2 49.9 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.745 0.818 . . . . 0.0 112.447 177.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -63.12 -64.26 0.96 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.299 1.44 . . . . 0.0 110.968 173.038 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -47.32 81.71 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.071 0.948 . . . . 0.0 113.095 -169.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.0 t -51.97 -38.72 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 O-C-N 120.88 -1.138 . . . . 0.0 111.741 172.042 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.43 -63.24 1.19 Allowed 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.466 0.575 . . . . 0.0 111.287 171.33 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -84.66 63.94 8.23 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 122.437 1.113 . . . . 0.0 112.3 179.302 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 3.0 tpp85 -55.23 103.62 0.1 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.338 1.055 . . . . 0.0 113.235 -178.504 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.5 mt -73.85 177.55 5.48 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.176 0.989 . . . . 0.0 112.794 175.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -64.55 -43.29 94.41 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.798 0.839 . . . . 0.0 112.887 -161.156 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.1 t -178.13 172.23 1.61 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.674 0.79 . . . . 0.0 110.883 -158.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.544 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 3.9 mp0 -43.35 -62.28 1.11 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 126.605 1.962 . . . . 0.0 113.53 -165.812 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -56.37 -37.3 69.89 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.035 -176.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.631 ' CD ' ' HZ1' ' B' ' 130' ' ' LYS . 3.4 mp0 -77.46 -43.18 33.23 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 124.791 1.236 . . . . 0.0 110.921 -173.235 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 17.3 m -62.98 -44.48 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.667 168.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.36 -37.5 74.63 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.709 -1.244 . . . . 0.0 112.208 -174.146 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -51.03 -58.76 5.25 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 124.116 0.967 . . . . 0.0 110.869 167.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -53.02 -56.33 16.88 Favored 'General case' 0 C--O 1.224 -0.256 0 C-N-CA 123.123 0.569 . . . . 0.0 111.611 178.317 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.0 mt -53.46 -47.15 59.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.284 1.034 . . . . 0.0 111.724 178.231 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.79 -37.7 76.9 Favored 'General case' 0 CA--C 1.552 1.055 0 O-C-N 119.745 -1.847 . . . . 0.0 112.756 173.217 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 23.8 m -66.07 -54.43 25.84 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.005 0.922 . . . . 0.0 112.618 174.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -61.9 -34.06 75.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.854 1.261 . . . . 0.0 111.705 175.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.6 mtp-105 -63.95 -29.64 70.79 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 119.888 -1.757 . . . . 0.0 112.219 166.833 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.333 93.7 m -69.95 -39.51 76.02 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 120.497 -1.377 . . . . 0.0 114.316 169.004 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -50.27 -61.17 2.32 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.72 1.145 . . . . 0.0 111.061 159.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -52.31 -42.3 63.69 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 179.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -50.3 -49.95 52.11 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.796 -1.19 . . . . 0.0 111.533 172.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 91.5 mt -58.52 -48.08 82.01 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 119.541 1.064 . . . . 0.0 112.458 172.793 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -64.26 -10.52 24.23 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 172.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -102.21 -2.71 28.65 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.945 1.698 . . . . 0.0 112.471 170.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -101.73 -52.18 3.26 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.856 2.062 . . . . 0.0 111.467 -174.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -46.3 133.32 9.64 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 124.353 1.061 . . . . 0.0 112.46 177.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -97.19 128.26 43.91 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.622 -1.299 . . . . 0.0 111.897 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.783 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.5 OUTLIER -78.54 100.33 6.87 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 121.234 -0.916 . . . . 0.0 109.16 172.848 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -67.97 -4.4 13.04 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.326 -1.484 . . . . 0.0 114.131 -175.144 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 83.14 -61.43 0.13 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.218 1.807 . . . . 0.0 113.646 163.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 69.52 -70.56 0.52 Allowed Glycine 0 CA--C 1.539 1.558 0 O-C-N 121.946 -0.471 . . . . 0.0 112.585 -175.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 92.6 p -72.65 62.81 0.57 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.04 1.336 . . . . 0.0 112.065 176.319 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.6 tp -75.24 65.54 1.6 Allowed 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.429 1.092 . . . . 0.0 112.233 -175.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 CA--C 1.543 0.683 0 O-C-N 120.874 -1.141 . . . . 0.0 111.825 179.9 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . 0.652 ' N ' ' HG ' ' B' ' 69' ' ' SER . 72.9 t60 . . . . . 0 CA--C 1.544 0.741 0 CA-C-O 121.626 0.727 . . . . 0.0 112.553 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -72.9 155.55 39.77 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.157 -0.964 . . . . 0.0 110.59 169.273 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -75.14 75.81 2.3 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 123.058 1.408 . . . . 0.0 112.664 179.572 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -152.81 56.57 0.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.416 -1.328 . . . . 0.0 107.416 129.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 4.9 m -60.68 100.59 0.11 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.601 1.56 . . . . 0.0 114.895 -155.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 87.7 t -60.57 145.35 12.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 C-N-CA 123.136 0.574 . . . . 0.0 110.553 168.55 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -32.35 113.98 0.14 Allowed 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.5 1.92 . . . . 0.0 116.024 178.444 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 9.3 mp 61.61 71.49 0.55 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.378 1.071 . . . . 0.0 113.068 174.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.652 ' HG ' ' N ' ' B' ' 61' ' ' HIS . 5.5 t -91.3 -167.76 1.88 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.402 -0.812 . . . . 0.0 112.581 165.061 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.48 -68.28 0.2 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.548 1.685 . . . . 0.0 115.548 -164.405 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 83.7 m -61.58 -47.38 85.75 Favored 'General case' 0 CA--C 1.534 0.328 0 O-C-N 121.141 -0.975 . . . . 0.0 112.738 -173.281 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 12.6 pm0 -65.58 -38.45 89.54 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.793 0.837 . . . . 0.0 111.649 -178.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 59.6 t -62.97 -49.38 83.81 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 O-C-N 121.169 -0.957 . . . . 0.0 111.034 168.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.84 -40.16 63.12 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 122.605 1.193 . . . . 0.0 111.348 176.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.7 t -71.75 -37.86 63.93 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 C-N-CA 123.929 0.892 . . . . 0.0 112.371 176.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 6.2 mt -62.06 -34.35 76.09 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 169.134 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.33 -50.69 44.13 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 32.9 mt -49.56 -38.41 31.08 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.849 -1.157 . . . . 0.0 113.008 168.875 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.783 ' CE1' HD12 ' A' ' 124' ' ' LEU . 13.9 m-85 -56.48 -54.24 48.07 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 120.16 -1.588 . . . . 0.0 113.061 169.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.279 15.9 mm-40 -79.67 -22.7 43.16 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.962 1.256 . . . . 0.0 114.122 -175.09 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -52.59 -41.85 64.01 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 120.145 -1.597 . . . . 0.0 111.079 155.681 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 16.3 m -80.22 2.74 23.2 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 172.769 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 45.63 65.26 1.18 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.109 1.764 . . . . 0.0 112.343 -165.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 79.2 mt -124.07 103.37 12.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 124.579 1.152 . . . . 0.0 111.545 -179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.0 138.46 57.26 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 119.269 -0.972 . . . . 0.0 110.035 168.349 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 13.5 mm -108.38 129.99 23.34 Favored Pre-proline 0 CA--C 1.542 0.651 0 C-N-CA 125.635 1.574 . . . . 0.0 110.229 176.019 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -62.17 143.67 94.75 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 122.822 2.348 . . . . 0.0 112.752 169.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 61.1 p -48.4 -58.31 4.8 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.116 1.766 . . . . 0.0 112.664 173.389 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -40.52 -54.26 2.54 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -177.811 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . 0.501 HG23 ' HE1' ' B' ' 116' ' ' TRP 0.25 15.2 pt -64.46 -35.02 73.22 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.573 0 O-C-N 120.678 -1.263 . . . . 0.0 113.168 177.303 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 83.9 mt -61.28 -50.49 80.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 CA-C-N 120.538 1.517 . . . . 0.0 111.224 171.216 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -48.36 -50.45 30.53 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.183 1.793 . . . . 0.0 111.318 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -65.86 -58.36 5.78 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.631 0.772 . . . . 0.0 111.89 172.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.491 HD23 ' CD2' ' B' ' 108' ' ' TYR . 1.2 tm? -55.29 -39.71 70.21 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.696 1.198 . . . . 0.0 113.105 -164.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 71.6 t -46.5 -49.4 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 O-C-N 121.268 -0.895 . . . . 0.0 112.56 168.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -65.82 -40.6 91.99 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 121.083 -1.011 . . . . 0.0 112.216 174.23 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -59.6 -35.0 73.45 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.392 -0.817 . . . . 0.0 112.456 176.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . 0.313 0.0 OUTLIER 26.17 59.32 0.07 Allowed 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 128.155 2.582 . . . . 0.0 116.588 -178.192 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 21.8 mt -60.0 156.06 15.53 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.327 -0.858 . . . . 0.0 111.629 176.507 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 14.0 mt-30 -72.02 -57.92 3.87 Favored 'General case' 0 C--O 1.232 0.154 0 O-C-N 120.737 -1.227 . . . . 0.0 110.41 -152.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 52.0 p -96.51 163.92 12.83 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -39.85 -53.81 2.23 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.914 2.085 . . . . 0.0 111.269 161.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -59.14 -40.09 84.42 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.388 0.675 . . . . 0.0 112.503 -178.19 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -68.9 -47.49 65.69 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 121.881 -0.512 . . . . 0.0 111.739 178.197 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -64.03 -43.27 97.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.278 0 C-N-CA 118.77 -1.172 . . . . 0.0 109.998 178.66 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.274 3.3 pp -67.64 -33.79 75.66 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.765 -1.21 . . . . 0.0 112.69 178.46 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -55.35 -62.39 1.7 Allowed 'General case' 0 N--CA 1.472 0.663 0 O-C-N 120.761 -1.212 . . . . 0.0 111.364 168.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . 0.491 ' CD2' HD23 ' B' ' 94' ' ' LEU . 82.1 t80 -52.29 -53.28 46.15 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.773 0.829 . . . . 0.0 111.705 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 87.7 mt -56.11 -55.34 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 123.676 0.79 . . . . 0.0 111.454 177.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -50.31 -40.29 48.3 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-N 120.683 1.583 . . . . 0.0 112.151 174.192 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 27.3 m -64.86 -59.46 4.18 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.076 0.95 . . . . 0.0 113.151 176.416 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -63.78 -34.75 78.6 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 120.509 -1.369 . . . . 0.0 111.977 -179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -56.88 -33.38 66.8 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.194 -1.566 . . . . 0.0 112.643 165.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.252 72.7 m -73.11 -31.93 64.64 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 120.582 -1.324 . . . . 0.0 114.247 167.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -58.29 6.29 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 120.192 1.36 . . . . 0.0 110.549 159.276 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . 0.501 ' HE1' HG23 ' B' ' 90' ' ' ILE . 23.1 m95 -52.68 -43.63 65.7 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.934 -1.104 . . . . 0.0 113.764 174.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -49.25 -53.54 21.12 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.261 -0.9 . . . . 0.0 110.806 171.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.36 -53.17 61.26 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 176.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -49.42 -38.26 28.54 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 120.16 1.346 . . . . 0.0 112.676 174.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -87.53 -6.81 58.18 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.646 1.35 . . . . 0.0 114.646 178.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -88.46 -39.63 14.09 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.163 2.185 . . . . 0.0 110.731 169.54 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 72.1 mttt -54.62 134.87 47.03 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 124.186 0.995 . . . . 0.0 113.039 174.184 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 140.68 58.05 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.702 1.601 . . . . 0.0 114.085 171.481 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 24.4 tp -95.7 102.14 13.91 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 120.39 1.45 . . . . 0.0 110.795 144.203 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -64.67 -7.87 12.33 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 115.245 1.572 . . . . 0.0 115.245 -177.875 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 71.09 -48.08 0.67 Allowed 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.815 1.646 . . . . 0.0 113.886 -177.754 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 82.7 -55.64 5.01 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.797 0.713 . . . . 0.0 112.018 173.249 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 85.8 p -140.06 -103.15 0.16 Allowed 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.201 0.6 . . . . 0.0 111.068 165.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 59.6 mt 56.79 -168.01 0.11 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.558 1.171 . . . . 0.0 112.157 -175.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . 0.631 ' HZ1' ' CD ' ' A' ' 104' ' ' GLU . 46.9 mtmt . . . . . 0 CA--C 1.539 0.54 0 O-C-N 120.436 -1.415 . . . . 0.0 110.455 175.621 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 CA--C 1.542 0.672 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 8.4 tpt -93.47 46.93 1.22 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.842 0.829 . . . . 0.0 113.208 -174.436 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.57 67.28 1.09 Allowed 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 122.995 1.379 . . . . 0.0 109.972 168.355 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.51 75.21 2.55 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.442 1.097 . . . . 0.0 113.067 -167.293 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.6 t -106.71 168.71 8.99 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.354 0.661 . . . . 0.0 110.777 160.123 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 17.6 t -79.06 64.0 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.551 0 O-C-N 121.235 -0.916 . . . . 0.0 109.568 177.257 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -75.43 71.45 2.39 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 121.45 -0.781 . . . . 0.0 112.123 -175.622 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 6.9 mp -91.21 81.7 5.52 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 160.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 21.1 p -104.82 -155.54 0.54 Allowed 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.402 1.081 . . . . 0.0 111.651 168.488 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.95 -69.05 0.12 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 115.354 1.613 . . . . 0.0 115.354 -158.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.3 p -65.52 -43.19 90.82 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 121.8 0.809 . . . . 0.0 112.436 -170.076 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -68.83 -40.87 79.21 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 124.559 1.144 . . . . 0.0 110.904 -177.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 72.8 t -63.9 -46.06 95.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 121.197 -0.939 . . . . 0.0 111.172 171.145 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.4 -40.8 75.24 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.936 0.874 . . . . 0.0 111.596 -179.73 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.453 HG12 ' CE2' ' A' ' 79' ' ' TYR 0.278 16.0 t -79.1 -32.18 15.08 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 O-C-N 121.42 -0.8 . . . . 0.0 112.704 176.576 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.4 mt -61.34 -34.74 75.77 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.245 -1.534 . . . . 0.0 114.478 168.702 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -55.21 36.61 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 169.132 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 60.8 mt -51.86 -37.02 50.41 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-O 118.54 -0.743 . . . . 0.0 112.411 177.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.463 ' CE1' HD12 ' B' ' 124' ' ' LEU . 26.6 m-85 -62.4 -71.24 0.16 Allowed 'General case' 0 C--O 1.239 0.504 0 CA-C-N 120.818 1.645 . . . . 0.0 113.05 166.606 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -70.06 -40.35 75.11 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 120.961 0.41 . . . . 0.0 110.387 -161.327 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -65.31 -41.0 94.48 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 121.164 -0.96 . . . . 0.0 112.533 173.23 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 41.8 t -58.26 -42.78 87.21 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 120.406 -1.434 . . . . 0.0 111.425 170.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . 0.262 20.3 p-10 125.39 18.39 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 130.463 3.505 . . . . 0.0 114.399 173.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 84' ' ' ILE . 3.2 mp -84.92 114.36 25.0 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.362 0 C-N-CA 125.642 1.577 . . . . 0.0 109.058 171.053 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -79.1 116.91 19.68 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.053 165.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 10.3 mm -77.07 136.62 65.81 Favored Pre-proline 0 CA--C 1.548 0.869 0 O-C-N 120.852 -1.155 . . . . 0.0 111.841 176.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -74.87 130.8 13.76 Favored 'Trans proline' 0 CA--C 1.539 0.775 0 C-N-CA 121.537 1.491 . . . . 0.0 109.618 169.212 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.2 p -48.73 -39.65 25.57 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.957 1.703 . . . . 0.0 114.326 -175.757 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -40.17 -60.31 1.09 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.902 1.281 . . . . 0.0 113.76 174.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . 0.25 19.4 pt -65.35 -27.7 42.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 O-C-N 120.199 -1.563 . . . . 0.0 112.683 178.73 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.58 -43.68 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 O-C-N 120.754 -1.216 . . . . 0.0 111.335 170.06 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -47.24 -60.23 2.63 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.819 0.848 . . . . 0.0 111.628 179.709 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -69.81 -46.39 65.79 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 178.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -54.47 -45.55 73.18 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 120.542 -1.349 . . . . 0.0 112.314 -178.121 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.64 -35.82 46.48 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.6 0 O-C-N 121.095 -1.003 . . . . 0.0 113.213 170.628 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 50.3 m-20 -67.34 -64.15 0.92 Allowed 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.28 -0.887 . . . . 0.0 110.755 172.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -60.3 -46.88 88.31 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.561 1.144 . . . . 0.0 113.061 -174.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 26.3 ttm180 56.69 73.23 0.46 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.54 1.136 . . . . 0.0 112.833 162.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.94 165.79 24.5 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 114.818 -1.083 . . . . 0.0 111.449 -172.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -77.12 -25.2 51.87 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 -157.5 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -150.79 167.87 26.14 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 -179.798 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -46.47 -40.84 13.06 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 126.734 2.014 . . . . 0.0 112.73 -178.602 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -55.54 -52.17 64.61 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.77 1.228 . . . . 0.0 111.658 175.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -67.39 -44.44 78.87 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 121.659 -0.651 . . . . 0.0 111.528 -177.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.01 -38.38 81.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 C-N-CA 119.512 -0.875 . . . . 0.0 111.188 177.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.254 3.7 pp -65.2 -37.55 87.65 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.782 1.628 . . . . 0.0 111.541 174.444 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.23 -57.78 11.34 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 119.043 0.838 . . . . 0.0 111.467 174.762 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -49.25 -58.61 4.74 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 121.504 -0.748 . . . . 0.0 111.221 173.864 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.451 HG21 ' CE2' ' A' ' 79' ' ' TYR . 91.0 mt -60.16 -52.22 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 O-C-N 121.349 -0.845 . . . . 0.0 111.014 -172.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.96 -39.83 86.97 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 120.778 -1.201 . . . . 0.0 112.154 179.777 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.3 p -62.91 -51.5 66.7 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.026 -1.046 . . . . 0.0 112.948 172.503 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -70.88 -35.72 72.46 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 120.446 1.475 . . . . 0.0 112.343 -177.683 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -53.26 -32.82 50.38 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 119.978 -1.701 . . . . 0.0 111.792 161.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.302 96.9 m -78.8 -33.09 46.52 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 119.967 -1.708 . . . . 0.0 114.565 172.335 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -50.24 -58.45 5.59 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.991 1.269 . . . . 0.0 110.237 156.809 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -54.21 -39.27 66.55 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.07 -49.3 75.05 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 120.138 -1.601 . . . . 0.0 112.391 173.165 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.13 -35.18 79.91 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.512 -0.743 . . . . 0.0 112.167 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -54.66 -62.51 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 124.428 1.091 . . . . 0.0 110.447 168.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -61.75 -12.57 17.53 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 178.887 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -75.28 -32.27 60.98 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.157 1.383 . . . . 0.0 113.062 168.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -63.61 135.57 56.88 Favored 'General case' 0 CA--C 1.549 0.927 0 O-C-N 121.052 -1.03 . . . . 0.0 113.61 -179.472 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.75 131.97 44.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 129.771 3.228 . . . . 0.0 115.744 178.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.0 tp -86.9 109.31 19.24 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 120.251 1.387 . . . . 0.0 110.327 149.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.48 26.04 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 179.344 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? 56.26 -67.01 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.74 2.016 . . . . 0.0 115.484 -169.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 71.26 -84.12 0.42 Allowed Glycine 0 CA--C 1.537 1.406 0 O-C-N 121.226 -0.921 . . . . 0.0 111.48 -167.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 87.2 p -75.44 72.49 2.46 Favored 'General case' 0 CA--C 1.543 0.705 0 O-C-N 121.279 -1.13 . . . . 0.0 112.455 -178.422 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 17.0 mt -52.15 146.57 8.75 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.873 1.269 . . . . 0.0 113.658 175.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.1 mptt . . . . . 0 CA--C 1.536 0.439 0 C-N-CA 124.602 1.161 . . . . 0.0 109.907 163.224 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 113.402 0.889 . . . . 0.0 113.402 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 44.6 ttm -76.16 62.79 1.76 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.899 1.279 . . . . 0.0 113.094 -173.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -66.56 170.22 6.56 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.671 1.188 . . . . 0.0 110.408 164.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -17.75 76.94 0.0 OUTLIER 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 130.431 3.493 . . . . 0.0 116.515 -175.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.69 47.42 0.73 Allowed 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -166.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -77.27 82.67 0.8 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 O-C-N 120.339 -1.475 . . . . 0.0 108.73 176.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -65.03 160.19 21.46 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.574 1.95 . . . . 0.0 114.964 -170.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.5 mp -8.57 90.5 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 129.664 3.185 . . . . 0.0 116.582 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 22.9 t -116.39 -171.69 2.05 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 127.295 2.238 . . . . 0.0 110.89 168.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -35.09 -66.16 0.19 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.502 1.921 . . . . 0.0 115.997 -166.206 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 84.6 m -65.37 -55.87 15.72 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.212 -0.93 . . . . 0.0 113.141 -170.101 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -59.13 -43.52 91.99 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.086 -1.009 . . . . 0.0 111.416 176.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.1 -44.65 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 O-C-N 120.901 -1.124 . . . . 0.0 110.992 174.048 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.16 -42.62 81.41 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.522 1.153 . . . . 0.0 111.61 176.288 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . 0.254 7.0 t -72.21 -37.28 58.7 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.888 0 O-C-N 120.818 -1.176 . . . . 0.0 112.421 178.306 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.03 -40.33 80.59 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.587 1.155 . . . . 0.0 113.588 168.301 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -56.18 17.61 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 122.16 0.981 . . . . 0.0 109.041 174.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 80.3 mt -54.84 -36.17 64.75 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 121.458 -0.776 . . . . 0.0 112.361 178.346 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -51.95 -58.22 7.14 Favored 'General case' 0 C--N 1.341 0.203 0 CA-C-N 119.928 1.24 . . . . 0.0 112.328 168.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -73.7 -26.94 60.95 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -173.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -56.43 -47.56 78.8 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 120.7 -1.25 . . . . 0.0 111.068 158.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.03 -18.38 63.27 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 169.3 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 3.9 m120 75.26 66.12 0.07 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 130.008 3.323 . . . . 0.0 111.489 -175.509 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 55.4 mt -134.92 106.73 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 126.627 1.971 . . . . 0.0 112.69 -177.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 48.5 ttt180 -71.06 133.5 46.33 Favored 'General case' 0 CA--C 1.542 0.67 0 O-C-N 121.798 -0.564 . . . . 0.0 110.091 165.188 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 38.9 mm -97.23 127.48 38.3 Favored Pre-proline 0 CA--C 1.541 0.634 0 O-C-N 121.036 -1.04 . . . . 0.0 110.49 175.158 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -73.4 114.73 4.12 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 121.297 1.331 . . . . 0.0 109.236 170.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 5.9 m -29.59 -43.32 0.03 OUTLIER 'General case' 0 C--O 1.221 -0.421 0 C-N-CA 128.856 2.862 . . . . 0.0 116.299 -175.776 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -41.21 -48.64 3.52 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.736 1.214 . . . . 0.0 113.51 173.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 27.6 mm -44.94 -60.55 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 123.667 0.787 . . . . 0.0 110.866 169.109 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.9 -46.64 96.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 124.513 1.125 . . . . 0.0 110.468 -174.341 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.31 -62.35 1.53 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.276 1.831 . . . . 0.0 110.255 177.842 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.35 -51.71 64.78 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 120.954 -1.091 . . . . 0.0 112.235 178.652 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.85 -53.1 35.13 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.495 1.118 . . . . 0.0 111.984 -175.837 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 49.0 t -52.44 -53.11 21.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 123.811 0.844 . . . . 0.0 112.069 171.363 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 -60.3 -53.59 55.78 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.722 0.772 . . . . 0.0 113.008 -176.233 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -59.66 -35.79 75.15 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 120.935 -1.103 . . . . 0.0 111.297 176.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? 69.27 71.84 0.26 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.288 1.435 . . . . 0.0 112.75 167.521 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 53.8 mt -72.19 165.4 24.45 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.474 0.709 . . . . 0.0 110.336 163.084 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -112.07 -70.53 0.8 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.121 0.968 . . . . 0.0 112.704 -166.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 23.2 t -70.42 147.14 49.82 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 113.689 0.996 . . . . 0.0 113.689 -167.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.31 64.78 0.05 OUTLIER 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.579 2.751 . . . . 0.0 109.502 168.886 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 178.7 -52.18 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 129.982 3.313 . . . . 0.0 109.691 -174.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -55.06 -48.09 73.95 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 120.783 -1.198 . . . . 0.0 111.145 176.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 24.3 m -59.59 -43.02 90.1 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.458 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.064 -176.826 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.05 -36.53 75.06 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 118.924 -1.11 . . . . 0.0 112.105 177.384 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -59.96 -51.74 68.4 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.27 0.941 . . . . 0.0 110.065 178.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -56.98 -55.7 31.29 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.758 0.823 . . . . 0.0 112.083 174.385 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 82.8 mt -56.91 -54.53 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 123.487 0.715 . . . . 0.0 111.371 -177.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -55.01 -41.0 70.74 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 120.302 -1.499 . . . . 0.0 112.276 177.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 84.0 m -60.13 -54.96 39.66 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.097 -1.002 . . . . 0.0 112.426 172.071 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -68.59 -30.02 68.68 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 120.42 -1.425 . . . . 0.0 113.492 -177.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -59.24 -42.72 91.76 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 120.359 -1.463 . . . . 0.0 110.147 164.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.295 88.5 m -58.67 -44.72 90.29 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.919 -1.113 . . . . 0.0 113.764 172.149 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -48.97 -57.32 6.68 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.044 0.838 . . . . 0.0 111.594 161.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 17.4 m95 -53.77 -44.68 70.25 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.153 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . 0.277 19.2 pttm -58.06 -41.87 84.25 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 119.856 -1.778 . . . . 0.0 112.921 171.482 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.78 -42.48 95.04 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.448 1.022 . . . . 0.0 112.844 174.198 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -53.5 -48.19 69.2 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.103 -1.623 . . . . 0.0 111.464 171.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.43 -11.35 32.36 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.564 1.546 . . . . 0.0 113.343 173.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -106.98 -27.79 10.44 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.486 1.914 . . . . 0.0 113.596 -177.601 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -41.73 135.3 2.28 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.788 1.235 . . . . 0.0 113.261 179.513 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.73 121.82 11.35 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -175.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.463 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.4 OUTLIER -109.67 108.58 19.03 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 159.008 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -76.79 31.14 0.13 Allowed 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.136 1.161 . . . . 0.0 114.136 -175.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 63.4 -51.31 0.22 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.636 2.374 . . . . 0.0 115.898 -178.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.47 -125.51 23.64 Favored Glycine 0 CA--C 1.533 1.193 0 O-C-N 121.291 -0.881 . . . . 0.0 111.882 -175.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 51.7 p -77.69 59.34 1.99 Allowed 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 118.645 1.222 . . . . 0.0 113.348 -176.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 48.4 tp -53.85 119.65 5.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.971 1.308 . . . . 0.0 111.882 177.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm . . . . . 0 CA--C 1.535 0.397 0 O-C-N 121.586 -0.696 . . . . 0.0 112.139 179.485 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 16.9 p80 . . . . . 0 CA--C 1.54 0.568 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.6 mpp? -77.2 53.49 1.0 Allowed 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.81 0.814 . . . . 0.0 112.522 179.12 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -78.2 145.39 35.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.753 1.221 . . . . 0.0 109.824 170.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.7 ttmm -99.2 50.1 0.95 Allowed 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.443 -0.785 . . . . 0.0 112.035 173.145 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.9 m -68.22 141.07 56.06 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.058 -1.026 . . . . 0.0 108.426 157.635 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.8 t -71.98 68.78 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 122.509 1.147 . . . . 0.0 110.669 177.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -85.03 67.67 10.29 Favored 'General case' 0 C--O 1.224 -0.272 0 C-N-CA 124.63 1.172 . . . . 0.0 111.798 -167.003 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.4 mp -89.67 85.66 6.51 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 157.72 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.0 p -111.32 -153.67 0.52 Allowed 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.797 1.639 . . . . 0.0 111.552 171.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -50.56 -74.86 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.588 1.699 . . . . 0.0 115.588 -157.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.2 p -60.07 -47.77 84.5 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 -174.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.3 pm0 -63.18 -42.61 99.41 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.354 -0.841 . . . . 0.0 111.666 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.12 -46.25 88.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.284 0 O-C-N 121.201 -0.937 . . . . 0.0 111.492 173.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.13 -40.08 76.42 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 122.223 1.011 . . . . 0.0 111.461 178.057 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.593 HG21 HG23 ' A' ' 105' ' ' VAL . 30.5 t -70.12 -36.74 69.46 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.756 0 O-C-N 121.538 -0.726 . . . . 0.0 112.12 175.339 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.92 -40.0 91.52 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 168.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -65.46 -50.23 66.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 121.604 -0.685 . . . . 0.0 109.216 176.867 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.5 mt -45.81 -48.94 15.63 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.089 -1.007 . . . . 0.0 112.22 170.395 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -50.17 -53.64 26.41 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 120.777 -1.202 . . . . 0.0 113.071 173.721 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -82.54 -25.11 33.67 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 114.742 1.386 . . . . 0.0 114.742 -173.003 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -48.77 -44.4 38.72 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.162 -1.586 . . . . 0.0 109.606 154.165 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.1 m -78.29 -2.22 36.94 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 175.453 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 48.86 68.62 0.68 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 128.741 2.816 . . . . 0.0 114.447 -165.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 53.2 mt -126.37 110.75 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 124.819 1.247 . . . . 0.0 110.314 175.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.2 mtm180 -66.84 140.33 57.8 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 118.054 -1.458 . . . . 0.0 110.011 165.794 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 35.1 mm -104.35 125.66 33.61 Favored Pre-proline 0 CA--C 1.539 0.557 0 C-N-CA 125.002 1.321 . . . . 0.0 108.286 167.852 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -72.82 135.62 23.88 Favored 'Trans proline' 0 N--CA 1.454 -0.843 0 N-CA-C 108.535 -1.371 . . . . 0.0 108.535 175.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.34 -39.12 1.34 Allowed 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 126.568 1.947 . . . . 0.0 113.292 -177.519 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -45.94 -46.63 16.29 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.421 1.488 . . . . 0.0 113.674 174.798 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.0 mm -54.54 -51.9 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 O-C-N 121.382 -0.824 . . . . 0.0 110.289 171.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.69 -43.85 93.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.098 0.559 . . . . 0.0 110.661 -171.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -47.07 -59.72 2.94 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.303 1.441 . . . . 0.0 111.258 170.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -57.82 -59.37 5.33 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.036 0.935 . . . . 0.0 110.622 179.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -51.52 62.79 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-O 121.856 0.836 . . . . 0.0 112.043 -174.889 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 83.9 t -63.35 -23.8 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.231 1.012 . . . . 0.0 112.787 177.023 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -68.78 -57.5 5.52 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 119.857 1.208 . . . . 0.0 111.47 162.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -59.38 -45.02 92.6 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -172.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.15 71.37 0.45 Allowed 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 115.193 1.553 . . . . 0.0 115.193 174.37 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 33.9 mt -70.22 -175.95 1.08 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.977 1.311 . . . . 0.0 110.974 164.066 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -142.1 -25.56 0.66 Allowed 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 116.533 2.049 . . . . 0.0 116.533 -172.49 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -100.24 140.58 34.28 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.011 1.278 . . . . 0.0 113.704 -178.158 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.24 67.5 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 128.876 2.871 . . . . 0.0 110.021 170.422 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 174.8 -55.64 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 129.16 2.984 . . . . 0.0 108.498 -167.811 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 68.5 mt-10 -59.41 -51.59 69.25 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.589 0.755 . . . . 0.0 110.7 176.269 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.593 HG23 HG21 ' A' ' 75' ' ' VAL . 2.5 m -57.13 -46.72 84.6 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.218 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.137 177.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.27 1.2 pp -68.19 -39.48 82.47 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 118.797 -1.161 . . . . 0.0 112.183 -178.387 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.259 9.9 p30 -71.55 -42.29 68.04 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 120.23 1.377 . . . . 0.0 112.289 -179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.16 -55.48 34.38 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.924 0.889 . . . . 0.0 111.707 172.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 90.3 mt -54.01 -49.04 63.15 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 O-C-N 120.739 -1.226 . . . . 0.0 111.254 176.042 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -60.27 -41.01 92.4 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 120.752 -1.218 . . . . 0.0 113.166 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 p -64.79 -49.8 69.25 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 120.855 -1.153 . . . . 0.0 112.541 172.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -62.85 -34.51 77.51 Favored 'General case' 0 CA--C 1.547 0.833 0 O-C-N 120.559 -1.338 . . . . 0.0 112.218 175.706 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.8 ttt-85 -65.36 -20.94 66.61 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 119.924 -1.735 . . . . 0.0 111.847 169.327 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.274 90.9 m -83.54 -38.18 22.05 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 119.433 -2.042 . . . . 0.0 114.271 168.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -47.78 -57.86 5.07 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.669 1.122 . . . . 0.0 110.295 157.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 14.2 m95 -55.38 -38.77 69.3 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -55.45 -58.35 8.1 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.476 -1.39 . . . . 0.0 112.683 167.311 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.5 mt -56.98 -44.76 83.02 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 122.292 1.044 . . . . 0.0 111.925 -177.45 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -55.21 -51.65 65.9 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.62 1.168 . . . . 0.0 111.901 171.706 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -72.2 -10.5 59.87 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.175 -1.578 . . . . 0.0 114.559 176.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -39.13 84.81 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.453 1.101 . . . . 0.0 111.427 165.084 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -54.5 131.67 43.15 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 112.305 0.484 . . . . 0.0 112.305 178.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -106.79 133.06 52.03 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.715 2.006 . . . . 0.0 111.41 -173.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.431 HD22 ' CD1' ' B' ' 79' ' ' TYR . 16.6 tp -84.45 98.76 10.26 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.391 0.996 . . . . 0.0 110.138 173.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 4.5 p90 -63.74 -10.42 19.56 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.394 -1.441 . . . . 0.0 112.828 177.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . 0.285 13.9 ptp180 71.71 -56.98 0.63 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.116 2.566 . . . . 0.0 116.434 155.467 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 68.27 -69.62 0.35 Allowed Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.196 -0.94 . . . . 0.0 112.361 -169.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 21.7 m 72.25 -56.82 0.64 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.954 2.102 . . . . 0.0 115.602 169.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 47.3 mt 52.08 39.19 26.02 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.128 1.371 . . . . 0.0 113.565 -175.552 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt . . . . . 0 CA--C 1.537 0.457 0 C-N-CA 125.575 1.55 . . . . 0.0 110.308 177.427 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 11.5 p80 . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.9 99.42 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.362 0.665 . . . . 0.0 109.265 166.113 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -84.92 -178.22 6.78 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 123.536 1.636 . . . . 0.0 115.31 -152.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -74.82 56.29 0.72 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 130.572 3.549 . . . . 0.0 111.082 -170.361 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 98.4 m 105.98 148.61 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 130.664 3.585 . . . . 0.0 108.157 -156.833 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 11.9 p -43.97 142.08 0.56 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 175.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.33 136.94 42.85 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 121.109 -0.994 . . . . 0.0 112.438 175.455 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . 0.262 10.9 mp 66.87 71.58 0.38 Allowed 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 122.658 1.218 . . . . 0.0 111.175 -173.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 16.9 t -89.78 -175.97 4.81 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.17 1.788 . . . . 0.0 112.378 170.09 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.0 -71.28 0.08 Allowed 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.606 1.706 . . . . 0.0 115.606 -169.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.3 p -59.32 -45.48 91.21 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.051 -1.031 . . . . 0.0 113.379 -175.292 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -65.94 -37.04 85.01 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.009 0.923 . . . . 0.0 111.616 -179.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.84 -51.9 61.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 120.953 -1.092 . . . . 0.0 111.701 170.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.52 -35.86 66.1 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.602 1.192 . . . . 0.0 111.416 179.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.8 t -70.92 -40.46 76.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 115.642 -0.708 . . . . 0.0 112.432 173.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.15 -29.13 69.6 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 169.229 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -72.17 -55.19 7.69 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.668 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 34.2 mt -48.86 -41.28 32.63 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.39 -0.819 . . . . 0.0 111.957 170.31 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.431 ' CD1' HD22 ' A' ' 124' ' ' LEU . 7.4 m-85 -54.6 -54.68 38.29 Favored 'General case' 0 CA--C 1.532 0.262 0 O-C-N 120.683 -1.261 . . . . 0.0 112.836 171.576 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.266 57.7 mm-40 -73.64 -20.16 60.65 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-N 120.357 1.435 . . . . 0.0 113.381 -178.765 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -58.77 -31.79 68.7 Favored 'General case' 0 CA--C 1.549 0.93 0 O-C-N 119.898 -1.752 . . . . 0.0 111.914 157.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 68.6 m -87.92 9.78 20.97 Favored 'General case' 0 CA--C 1.548 0.867 0 O-C-N 120.353 -1.467 . . . . 0.0 113.434 167.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 35.31 57.34 0.83 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.704 2.002 . . . . 0.0 113.926 -160.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' B' ' 113' ' ' ARG . 21.2 mt -105.26 104.78 17.48 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 C-N-CA 124.528 1.131 . . . . 0.0 112.622 -178.071 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.69 115.64 15.58 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 121.921 0.867 . . . . 0.0 109.593 169.243 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 50.1 mm -82.63 130.77 57.21 Favored Pre-proline 0 CA--C 1.548 0.882 0 O-C-N 120.562 -1.336 . . . . 0.0 109.967 173.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.36 153.76 26.67 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 123.069 2.513 . . . . 0.0 112.943 169.762 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -53.16 -56.41 16.56 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 123.85 0.86 . . . . 0.0 112.385 171.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -41.92 -56.55 2.71 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.88 1.272 . . . . 0.0 113.312 178.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 33.9 mm -43.22 -56.26 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-O 120.985 0.422 . . . . 0.0 111.036 172.035 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.34 -47.32 93.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 O-C-N 121.448 -0.783 . . . . 0.0 110.804 -175.87 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -53.41 -55.79 22.14 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.86 1.264 . . . . 0.0 111.155 -179.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -60.45 -57.8 11.22 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 124.593 1.157 . . . . 0.0 110.775 174.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.13 -50.71 70.32 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.519 -0.738 . . . . 0.0 112.129 -170.528 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 94.9 t -53.04 -46.36 54.05 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.998 0 O-C-N 120.949 -1.095 . . . . 0.0 111.95 168.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -46.51 61.05 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 120.848 -1.157 . . . . 0.0 113.412 171.453 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 -69.47 -70.23 0.29 Allowed 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 119.301 0.955 . . . . 0.0 111.94 175.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 62.71 88.07 0.1 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 127.826 2.45 . . . . 0.0 114.509 -168.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.35 168.38 16.11 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.171 163.595 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -83.07 -63.47 1.35 Allowed 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.061 -1.024 . . . . 0.0 111.301 -167.425 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 45.2 t -83.51 149.17 26.78 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 122.104 0.954 . . . . 0.0 113.097 -175.44 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -31.62 -55.33 0.27 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.467 1.907 . . . . 0.0 111.524 153.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -57.75 -41.63 82.28 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.204 -0.935 . . . . 0.0 112.747 179.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -71.18 -48.92 48.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 123.139 0.576 . . . . 0.0 110.592 -175.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.77 -41.58 93.0 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.357 174.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.308 2.2 pp -70.73 -33.3 70.7 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.691 1.132 . . . . 0.0 112.661 -178.42 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -56.2 -60.91 2.82 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 120.981 -1.075 . . . . 0.0 111.558 166.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -51.16 -55.22 19.0 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.478 1.111 . . . . 0.0 111.298 179.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.1 mt -55.8 -56.52 12.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 123.943 0.897 . . . . 0.0 111.46 177.437 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -49.38 -47.19 47.84 Favored 'General case' 0 CA--C 1.55 0.96 0 CA-C-N 121.087 1.767 . . . . 0.0 111.791 177.571 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 22.2 m -55.94 -56.04 25.46 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 121.602 -0.686 . . . . 0.0 111.812 174.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -61.12 -34.35 74.83 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 178.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.564 ' CZ ' HG23 ' B' ' 84' ' ' ILE . 38.7 mtp180 -57.44 -36.55 71.53 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 119.73 -1.857 . . . . 0.0 110.783 168.269 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.295 77.3 m -72.9 -35.71 67.15 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 172.703 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -53.36 -57.52 10.3 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.993 1.27 . . . . 0.0 111.205 161.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 20.1 m95 -54.79 -45.03 74.24 Favored 'General case' 0 C--O 1.225 -0.187 0 O-C-N 121.227 -0.921 . . . . 0.0 113.147 179.172 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -45.41 -51.2 11.69 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.981 -1.074 . . . . 0.0 111.656 168.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.57 -45.84 88.59 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 175.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -54.86 -33.88 62.32 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 119.912 -1.743 . . . . 0.0 112.751 170.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -75.13 -7.21 53.14 Favored 'General case' 0 CA--C 1.551 1.007 0 O-C-N 119.994 -1.691 . . . . 0.0 112.805 175.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -111.73 -42.63 3.78 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.252 2.221 . . . . 0.0 113.434 -173.089 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -36.35 139.42 0.17 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 126.032 1.733 . . . . 0.0 114.956 178.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.87 130.03 43.02 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.684 1.364 . . . . 0.0 114.684 -178.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 17.4 tp -119.01 116.44 26.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.532 1.133 . . . . 0.0 109.733 157.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.52 23.65 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 116.191 1.923 . . . . 0.0 116.191 -174.382 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? 68.37 -57.97 0.48 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 126.772 2.029 . . . . 0.0 114.705 177.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.67 44.88 2.81 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.598 1.57 . . . . 0.0 111.385 -166.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.5 t 67.0 178.11 0.23 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.199 1.4 . . . . 0.0 114.289 -173.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 32.6 tp -79.11 68.58 5.1 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.419 1.488 . . . . 0.0 111.157 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 CA--C 1.538 0.491 0 O-C-N 121.302 -0.874 . . . . 0.0 112.373 178.454 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.1 p80 . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 118.863 -0.589 . . . . 0.0 110.468 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 58.2 ttp -156.58 128.25 7.19 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 119.674 1.124 . . . . 0.0 112.558 -169.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -62.74 152.57 35.31 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-O 122.156 0.979 . . . . 0.0 112.895 174.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.99 43.53 1.25 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 127.633 2.373 . . . . 0.0 110.207 178.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 43.5 m 66.51 -57.94 0.38 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 128.349 2.66 . . . . 0.0 115.203 174.396 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 t -78.38 67.91 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 O-C-N 120.748 -1.22 . . . . 0.0 110.417 -177.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.3 -176.14 0.2 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.572 1.549 . . . . 0.0 112.536 179.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.8 mt -14.72 93.76 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 128.482 2.713 . . . . 0.0 115.727 161.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.8 t -102.14 -170.36 1.8 Allowed 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 126.518 1.927 . . . . 0.0 112.342 170.378 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -47.67 -63.56 1.02 Allowed 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.75 1.759 . . . . 0.0 115.75 -168.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 21.5 p -66.18 -46.0 78.9 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.197 -0.939 . . . . 0.0 112.828 -171.375 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 pm0 -67.22 -35.04 78.76 Favored 'General case' 0 CA--C 1.548 0.874 0 O-C-N 120.956 -1.09 . . . . 0.0 112.23 176.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 77.7 t -69.3 -42.78 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 O-C-N 120.687 -1.258 . . . . 0.0 112.217 173.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.07 -37.39 64.14 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 122.418 1.104 . . . . 0.0 111.332 171.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -71.19 -35.92 60.23 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 123.469 0.708 . . . . 0.0 112.307 174.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 mt -58.17 -33.7 69.51 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 168.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.23 -52.3 19.78 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 121.387 -0.821 . . . . 0.0 109.634 178.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.6 mt -56.84 -31.39 64.72 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.049 -1.032 . . . . 0.0 112.007 174.205 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CE1' HD12 ' B' ' 124' ' ' LEU . 9.6 m-85 -55.67 -58.63 7.01 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 120.764 -1.21 . . . . 0.0 113.43 165.108 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . 0.28 52.4 mm-40 -72.49 -21.81 61.15 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 121.256 1.844 . . . . 0.0 113.622 -177.42 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -54.61 -40.19 68.65 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 119.973 -1.704 . . . . 0.0 111.674 158.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.4 p -84.42 9.22 13.86 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.234 -1.542 . . . . 0.0 114.214 171.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 39.86 58.2 2.15 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.307 2.243 . . . . 0.0 113.892 -163.699 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.688 HG23 ' CZ ' ' A' ' 113' ' ' ARG . 22.9 mt -110.22 98.75 7.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.371 1.068 . . . . 0.0 113.256 178.053 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.1 ttp85 -68.63 129.33 39.6 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 118.739 -1.184 . . . . 0.0 109.417 164.507 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 34.9 mm -88.83 129.98 46.57 Favored Pre-proline 0 CA--C 1.542 0.643 0 O-C-N 121.447 -0.783 . . . . 0.0 110.631 175.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -58.06 132.3 48.54 Favored 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 121.977 1.785 . . . . 0.0 112.187 169.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 25.8 m -41.17 -39.33 1.28 Allowed 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.782 0.833 . . . . 0.0 112.922 168.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.29 -36.9 81.33 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 178.517 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.7 mm -53.98 -54.16 22.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 O-C-N 120.743 -1.223 . . . . 0.0 109.294 167.297 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.66 -45.98 87.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 O-C-N 121.942 -0.474 . . . . 0.0 110.077 -168.651 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -41.96 -51.56 4.37 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.114 1.766 . . . . 0.0 112.829 173.121 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -72.47 -62.83 1.3 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.508 1.523 . . . . 0.0 111.187 174.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.14 -44.28 74.93 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.168 1.387 . . . . 0.0 113.438 -170.075 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.2 t -51.41 -36.73 17.88 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 120.896 -1.127 . . . . 0.0 112.246 171.055 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -51.02 13.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.113 1.365 . . . . 0.0 113.111 174.145 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 59.8 mm-40 -57.67 -46.03 84.81 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.987 0.898 . . . . 0.0 111.781 179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 47.4 69.38 0.52 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.808 2.443 . . . . 0.0 115.578 172.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.9 161.28 10.73 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.056 -0.974 . . . . 0.0 111.393 169.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -86.09 -63.69 1.28 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 122.134 0.968 . . . . 0.0 110.329 -158.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.3 m -78.87 145.58 34.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 122.319 1.057 . . . . 0.0 112.603 -176.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -31.75 -52.8 0.25 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.804 2.041 . . . . 0.0 112.593 159.247 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -67.94 -33.04 73.91 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 120.295 -1.503 . . . . 0.0 112.576 -179.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -65.88 -49.05 69.47 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 121.332 -0.855 . . . . 0.0 111.691 176.467 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.8 m -64.0 -41.79 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 119.673 -0.811 . . . . 0.0 109.917 -178.011 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 1.1 pp -66.67 -39.72 88.27 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 118.272 -1.371 . . . . 0.0 112.234 174.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -52.77 -55.54 22.17 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 120.947 -1.096 . . . . 0.0 110.857 174.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -57.04 -67.21 0.34 Allowed 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 125.008 1.323 . . . . 0.0 111.432 177.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.3 mt -48.15 -50.44 10.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 124.177 0.991 . . . . 0.0 111.586 -177.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.88 -45.53 82.47 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 120.871 -1.143 . . . . 0.0 112.071 -179.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 4.9 m -58.37 -55.12 39.07 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.227 -0.92 . . . . 0.0 111.599 170.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -54.37 -28.97 46.84 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 126.401 1.881 . . . . 0.0 112.241 179.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.688 ' CZ ' HG23 ' A' ' 84' ' ' ILE . 36.2 ttt-85 -75.61 -41.51 54.17 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.213 -1.554 . . . . 0.0 112.293 176.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 1.8 m -63.57 -37.41 87.22 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.503 -1.373 . . . . 0.0 112.652 166.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -51.26 -59.61 4.02 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 119.075 0.852 . . . . 0.0 110.869 163.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -48.0 -48.18 32.78 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 114.02 1.119 . . . . 0.0 114.02 177.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -47.51 -50.43 23.49 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.473 -0.767 . . . . 0.0 112.506 173.291 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 77.9 mt -69.64 -41.51 75.52 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 176.295 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.3 tp10 -56.59 -37.47 70.68 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 120.041 -1.662 . . . . 0.0 111.537 174.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -73.82 2.08 9.17 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.54 1.536 . . . . 0.0 113.779 174.031 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -107.68 -31.57 8.02 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.853 2.061 . . . . 0.0 112.508 -179.765 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 39.4 mtpt -50.91 141.89 12.71 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -175.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.01 122.33 8.26 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 129.309 3.044 . . . . 0.0 115.264 -178.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.564 HD12 ' CE1' ' B' ' 79' ' ' TYR . 0.4 OUTLIER -117.53 122.91 44.96 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.142 0.977 . . . . 0.0 109.335 154.247 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -74.55 23.65 0.09 Allowed 'General case' 0 CA--C 1.551 1.001 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 -178.095 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 65.75 -63.26 0.22 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.892 1.677 . . . . 0.0 113.148 -172.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.81 -74.47 0.61 Allowed Glycine 0 CA--C 1.532 1.156 0 C-N-CA 124.216 0.912 . . . . 0.0 112.202 -177.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.8 m -75.37 71.4 2.34 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.446 -1.032 . . . . 0.0 111.948 175.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.89 62.27 0.43 Allowed 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.489 -0.757 . . . . 0.0 111.05 170.605 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt . . . . . 0 CA--C 1.537 0.459 0 C-N-CA 124.031 0.932 . . . . 0.0 111.762 -175.893 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 . . . . . 0 CA--C 1.539 0.537 0 CA-C-O 121.316 0.579 . . . . 0.0 111.55 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 86.4 mtp -73.12 84.5 1.33 Allowed 'General case' 0 CA--C 1.543 0.684 0 O-C-N 121.336 -0.852 . . . . 0.0 112.884 -173.448 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -59.72 78.53 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.008 1.323 . . . . 0.0 114.052 175.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 12.7 ttpt -30.1 108.28 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.308 2.643 . . . . 0.0 112.473 162.506 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 3.9 m 56.34 40.07 29.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.659 0.784 . . . . 0.0 111.73 175.16 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . 0.334 4.0 p 53.71 151.98 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 128.487 2.715 . . . . 0.0 116.389 -171.371 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -61.81 125.13 22.76 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 120.69 -1.256 . . . . 0.0 111.548 -174.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 6.8 mp 61.68 68.19 0.72 Allowed 'General case' 0 CA--C 1.545 0.777 0 CA-C-O 122.454 1.121 . . . . 0.0 111.602 -169.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -176.36 4.52 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 123.903 0.881 . . . . 0.0 111.687 164.159 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -46.88 -58.27 4.1 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -171.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.95 -42.22 81.26 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.212 -0.93 . . . . 0.0 112.259 -173.919 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -71.17 -30.84 66.93 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.66 -0.65 . . . . 0.0 111.897 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.32 -47.87 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 O-C-N 120.437 -1.414 . . . . 0.0 111.453 166.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.18 80.86 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 122.017 0.913 . . . . 0.0 111.548 -179.495 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -72.04 -43.6 67.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 O-C-N 121.169 -0.957 . . . . 0.0 112.069 -178.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.93 -38.47 4.7 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.727 0.811 . . . . 0.0 113.079 165.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -72.39 -48.59 40.31 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.753 -0.592 . . . . 0.0 110.763 177.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -46.81 -42.46 17.14 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 119.996 -1.69 . . . . 0.0 111.784 169.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . 0.564 ' CE1' HD12 ' A' ' 124' ' ' LEU . 45.9 m-85 -59.45 -58.01 10.47 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 171.524 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.17 -24.99 29.92 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.712 1.375 . . . . 0.0 114.712 -169.722 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -43.77 -42.9 5.78 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 123.268 1.509 . . . . 0.0 110.478 152.241 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 1.8 m -87.08 2.99 47.97 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 178.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . 0.323 0.0 OUTLIER 52.67 41.99 31.51 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 129.485 3.114 . . . . 0.0 115.247 -168.449 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . . . . . . . . . 78.8 mt -99.17 104.63 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 O-C-N 120.594 -1.317 . . . . 0.0 111.673 175.127 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -67.79 104.36 1.65 Allowed 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 169.342 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 35.7 mm -69.98 117.57 55.22 Favored Pre-proline 0 CA--C 1.54 0.596 0 O-C-N 120.839 -1.163 . . . . 0.0 109.943 168.003 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -64.6 126.08 16.12 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 N-CA-C 109.386 -1.044 . . . . 0.0 109.386 173.797 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 58.6 p -41.88 -32.87 0.46 Allowed 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 126.586 1.954 . . . . 0.0 114.397 -178.352 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -50.24 -44.55 53.54 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.477 1.111 . . . . 0.0 113.101 174.333 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 20.8 mm -49.9 -51.2 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 O-C-N 120.997 -1.065 . . . . 0.0 111.407 168.316 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 66.7 mt -69.02 -42.78 82.2 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.591 0 C-N-CA 124.036 0.934 . . . . 0.0 110.278 -171.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -51.06 -40.5 58.45 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.219 2.208 . . . . 0.0 112.589 175.207 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -73.45 -75.03 0.16 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.787 1.235 . . . . 0.0 109.85 167.422 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.5 -61.41 0.81 Allowed 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.585 1.954 . . . . 0.0 113.682 -165.327 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 69.6 t -42.02 -69.34 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 124.508 1.123 . . . . 0.0 112.378 -178.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.73 -14.33 58.81 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -177.508 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -64.18 -64.3 0.92 Allowed 'General case' 0 C--O 1.235 0.316 0 O-C-N 120.945 -1.097 . . . . 0.0 110.388 176.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.59 -169.4 1.74 Allowed 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.336 -0.853 . . . . 0.0 112.728 -168.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 66.94 155.86 0.1 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 125.645 1.578 . . . . 0.0 114.229 165.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -167.32 52.68 0.07 Allowed 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.443 1.097 . . . . 0.0 110.072 171.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 33.4 t -160.89 125.61 3.63 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.395 1.078 . . . . 0.0 110.261 -177.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' B' ' 102' ' ' GLU . 2.9 mp0 -47.88 -56.43 7.55 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.887 2.475 . . . . 0.0 113.918 -164.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -63.62 -41.32 98.3 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.244 -0.91 . . . . 0.0 111.394 178.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -69.4 -36.43 76.74 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 120.173 -1.579 . . . . 0.0 109.972 -175.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -65.88 -39.07 83.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-O 117.554 -1.212 . . . . 0.0 111.919 166.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.273 0.6 OUTLIER -64.18 -40.16 95.51 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 121.824 2.102 . . . . 0.0 111.842 178.115 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 57.9 m-20 -54.5 -56.96 13.5 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.174 0.989 . . . . 0.0 110.832 171.73 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -56.06 -54.53 43.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.982 0.913 . . . . 0.0 112.652 179.001 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 83.1 mt -54.87 -52.75 39.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 C-N-CA 124.372 1.069 . . . . 0.0 111.082 177.113 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -55.51 -36.76 67.06 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.658 -1.276 . . . . 0.0 112.122 176.863 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 29.2 m -62.76 -59.52 4.77 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.594 -0.691 . . . . 0.0 112.374 171.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.33 -40.83 78.79 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 120.661 -1.275 . . . . 0.0 112.516 178.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . . . . . . . . . 37.2 ttt180 -59.02 -30.25 67.86 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.801 2.041 . . . . 0.0 111.555 170.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.293 93.8 m -78.91 -37.35 40.15 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 119.421 -2.05 . . . . 0.0 114.073 171.359 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -48.36 -62.16 1.63 Allowed 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.248 0.931 . . . . 0.0 110.594 158.445 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -53.01 -44.48 67.32 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -52.64 -48.18 66.59 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.8 -1.187 . . . . 0.0 112.953 174.316 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.68 -45.77 50.48 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-O 121.834 0.826 . . . . 0.0 112.522 178.496 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -52.55 -46.4 66.79 Favored 'General case' 0 CA--C 1.55 0.957 0 O-C-N 120.047 -1.658 . . . . 0.0 111.9 173.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -74.36 6.94 3.19 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.655 1.582 . . . . 0.0 113.69 174.145 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -84.07 -33.68 24.36 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.191 1.396 . . . . 0.0 111.534 165.786 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 33.8 mtmt -59.63 140.17 56.61 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 118.677 0.671 . . . . 0.0 111.994 172.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -121.28 125.84 48.05 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 126.58 1.952 . . . . 0.0 112.505 -165.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.579 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.2 OUTLIER -72.31 104.17 3.63 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.067 -1.021 . . . . 0.0 110.474 174.749 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -78.97 -17.34 55.59 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 120.968 -1.082 . . . . 0.0 113.033 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 83.06 -49.83 0.16 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 150.378 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 107.04 61.59 0.58 Allowed Glycine 0 CA--C 1.534 1.234 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -162.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.9 t 70.59 179.45 0.24 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.269 1.428 . . . . 0.0 113.592 -170.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 58.9 mt 58.43 -175.12 0.08 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.028 1.331 . . . . 0.0 112.526 -173.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp . . . . . 0 CA--C 1.538 0.497 0 O-C-N 120.175 -1.578 . . . . 0.0 111.519 -175.162 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 32.3 p80 . . . . . 0 CA--C 1.54 0.591 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 9.8 mmt -36.64 65.19 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 129.707 3.203 . . . . 0.0 118.889 -165.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.0 80.63 1.2 Allowed 'General case' 0 CA--C 1.547 0.853 0 O-C-N 120.22 -1.55 . . . . 0.0 112.446 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -66.32 64.76 0.05 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.308 1.843 . . . . 0.0 112.355 170.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.91 -86.99 0.61 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.614 1.566 . . . . 0.0 109.865 177.185 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.9 t -65.95 82.95 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 O-C-N 121.019 -1.051 . . . . 0.0 108.981 165.768 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -128.05 110.17 12.24 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 126.64 1.976 . . . . 0.0 110.814 -168.287 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.316 8.1 mp 79.36 64.12 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.714 2.005 . . . . 0.0 111.621 -173.223 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 t -81.83 -177.22 6.48 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.803 2.041 . . . . 0.0 112.376 166.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -48.59 -65.2 0.61 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 114.784 1.401 . . . . 0.0 114.784 -171.543 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 25.7 p -57.68 -52.36 65.74 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -177.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.02 -44.1 94.82 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 120.983 -1.073 . . . . 0.0 112.041 179.054 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.68 -43.97 96.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 O-C-N 120.746 -1.221 . . . . 0.0 112.168 172.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.28 -45.94 91.56 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.853 0.835 . . . . 0.0 110.902 -179.778 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.56 HG12 ' CE2' ' A' ' 79' ' ' TYR . 14.5 t -74.29 -31.82 29.82 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.883 0 O-C-N 120.924 -1.11 . . . . 0.0 111.911 -179.494 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.69 -37.6 29.5 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 120.825 -1.172 . . . . 0.0 113.007 165.555 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -67.5 -52.04 43.92 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.881 -0.512 . . . . 0.0 109.887 174.709 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 52.6 mt -55.5 -31.72 62.27 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.106 -0.996 . . . . 0.0 112.291 177.122 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.638 ' CE1' HD12 ' B' ' 124' ' ' LEU . 37.6 m-85 -62.07 -64.88 0.79 Allowed 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.464 -1.397 . . . . 0.0 113.131 167.428 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -69.01 -37.05 78.44 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 120.049 1.295 . . . . 0.0 112.069 -171.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -63.48 -20.08 65.28 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 120.25 -1.531 . . . . 0.0 113.242 167.205 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.7 t -87.87 -1.88 58.26 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 119.79 -1.819 . . . . 0.0 112.793 167.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 58.37 46.85 14.72 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.729 2.412 . . . . 0.0 112.516 -167.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.9 mt -109.73 106.29 20.43 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.186 0 C-N-CA 125.191 1.396 . . . . 0.0 109.829 167.262 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.42 133.94 50.5 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 120.001 -0.679 . . . . 0.0 109.651 165.121 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 27.6 mm -98.29 128.52 33.07 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.902 0.881 . . . . 0.0 109.603 170.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -76.04 143.45 25.9 Favored 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 121.952 1.768 . . . . 0.0 109.278 171.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 m -48.77 -36.44 16.53 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 126.059 1.743 . . . . 0.0 112.066 -179.669 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -51.98 -37.22 52.3 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.449 1.899 . . . . 0.0 114.169 175.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 17.3 mm -60.14 -51.04 77.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 O-C-N 119.646 -1.909 . . . . 0.0 109.671 168.597 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 63.0 mt -70.84 -27.16 29.45 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.824 0.85 . . . . 0.0 111.501 -172.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -47.87 -66.31 0.42 Allowed 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.855 2.062 . . . . 0.0 110.272 167.531 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -64.55 -63.77 1.05 Allowed 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 125.812 1.645 . . . . 0.0 110.869 178.134 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.95 -53.2 20.76 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 -164.274 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.06 -45.89 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.658 0 C-N-CA 124.205 1.002 . . . . 0.0 113.431 172.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -23.02 67.23 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.098 -1.001 . . . . 0.0 112.857 178.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -84.64 -50.01 8.04 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.938 0.895 . . . . 0.0 111.685 168.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . 0.26 8.9 ptp85 41.37 73.51 0.13 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 128.296 2.638 . . . . 0.0 114.721 -172.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -64.6 165.07 10.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.565 1.146 . . . . 0.0 112.186 178.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -77.53 -62.65 1.59 Allowed 'General case' 0 CA--C 1.534 0.352 0 O-C-N 120.682 -1.261 . . . . 0.0 110.711 -164.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.4 t -91.61 151.05 20.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 122.756 1.265 . . . . 0.0 113.987 -175.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -34.67 -45.94 0.27 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 127.717 2.407 . . . . 0.0 112.35 155.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -58.02 -48.68 79.32 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 120.858 -1.152 . . . . 0.0 112.185 174.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -65.73 -50.16 65.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 122.053 -0.404 . . . . 0.0 110.648 -177.278 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 31.4 m -64.07 -37.04 78.8 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.315 0 CA-C-O 118.475 -0.774 . . . . 0.0 110.375 178.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . 0.259 0.9 OUTLIER -67.49 -43.13 81.66 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 120.65 1.568 . . . . 0.0 111.782 178.065 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.251 11.4 p30 -69.74 -40.82 75.94 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.795 1.179 . . . . 0.0 112.051 179.817 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -58.12 -57.3 13.44 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.837 0.855 . . . . 0.0 112.059 172.66 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 81.2 mt -52.82 -50.22 43.81 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.364 0 O-C-N 121.189 -0.944 . . . . 0.0 111.06 176.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -56.07 -38.26 70.43 Favored 'General case' 0 CA--C 1.551 1.002 0 O-C-N 120.953 -1.092 . . . . 0.0 112.446 175.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 56.4 m -62.87 -57.28 11.39 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.491 -0.756 . . . . 0.0 112.492 171.569 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -60.83 -28.87 69.13 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.566 -1.333 . . . . 0.0 112.825 177.336 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -74.94 -20.86 59.5 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.587 1.955 . . . . 0.0 111.643 171.532 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . 0.261 95.7 m -76.92 -43.72 34.46 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 119.905 -1.747 . . . . 0.0 112.745 164.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -45.46 -63.14 1.02 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.174 0.897 . . . . 0.0 110.449 159.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 21.1 m95 -55.13 -42.12 72.62 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -31.3 72.44 Favored 'General case' 0 CA--C 1.548 0.896 0 O-C-N 120.218 -1.551 . . . . 0.0 114.105 175.737 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.61 -47.39 22.49 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 122.551 1.167 . . . . 0.0 111.332 173.663 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -54.2 -51.65 63.74 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.552 1.541 . . . . 0.0 111.571 176.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -68.75 0.17 4.62 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.532 -1.355 . . . . 0.0 114.059 174.03 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.52 -31.75 24.27 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.363 1.465 . . . . 0.0 112.012 167.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -60.47 146.19 45.6 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.166 0.894 . . . . 0.0 112.145 172.111 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.6 tmtm? -124.59 131.18 53.49 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.798 2.039 . . . . 0.0 111.635 -165.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 23.0 tp -86.36 105.9 17.03 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.017 -1.052 . . . . 0.0 110.319 174.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -67.7 4.63 1.04 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 120.35 -1.469 . . . . 0.0 114.108 177.795 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 71.07 -68.39 0.22 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.267 1.827 . . . . 0.0 112.943 178.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 67.23 -72.38 0.21 Allowed Glycine 0 CA--C 1.537 1.457 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -168.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.9 m -67.15 71.89 0.1 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.461 1.504 . . . . 0.0 111.816 170.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 50.2 mt -70.6 69.25 0.41 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.64 1.176 . . . . 0.0 112.026 178.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 22.7 tptm . . . . . 0 CA--C 1.542 0.644 0 O-C-N 121.169 -0.957 . . . . 0.0 111.851 176.638 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 61' ' ' HIS . . . . . . . . . . . . . 38.7 m170 . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 62' ' ' MET . . . . . . . . . . . . . 25.3 ttm -78.5 66.85 4.14 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-O 122.69 1.233 . . . . 0.0 110.126 174.046 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -160.17 -168.3 2.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.491 1.917 . . . . 0.0 110.028 -173.071 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -74.27 46.76 0.27 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.239 1.416 . . . . 0.0 113.114 177.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . 0.327 9.6 t 50.86 -60.53 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 127.98 2.512 . . . . 0.0 115.741 -162.815 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 63.0 t -62.09 128.71 24.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 O-C-N 120.715 -1.241 . . . . 0.0 111.142 172.734 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 67' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -51.82 170.81 0.05 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 126.508 1.923 . . . . 0.0 114.38 179.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 68' ' ' LEU . . . . . 0.474 ' CD1' HG23 ' B' ' 91' ' ' ILE . 6.9 mp 64.09 101.08 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 169.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 48.6 m -124.89 178.11 5.67 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.212 2.605 . . . . 0.0 110.702 171.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -32.58 -65.07 0.16 Allowed 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 115.942 1.83 . . . . 0.0 115.942 -167.163 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . . . . . . . . . 29.8 p -65.04 -56.26 14.1 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -172.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 26.6 pm0 -62.89 -33.87 76.2 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 120.441 1.473 . . . . 0.0 112.262 178.672 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 73' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.77 -50.96 77.61 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 O-C-N 120.804 -1.185 . . . . 0.0 111.514 173.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.66 -38.45 69.62 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 122.968 1.366 . . . . 0.0 111.483 175.541 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.1 t -73.6 -33.15 38.14 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.794 178.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.45 -30.66 65.2 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 121.135 -0.978 . . . . 0.0 112.988 169.004 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 77' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -75.5 -53.71 8.21 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.256 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 84.9 mt -49.92 -40.16 42.41 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.295 -0.878 . . . . 0.0 111.601 170.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 79' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -55.84 -54.95 38.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 O-C-N 120.801 -1.187 . . . . 0.0 113.264 171.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . 0.265 23.4 mm-40 -73.78 -21.77 60.06 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.89 1.677 . . . . 0.0 113.361 -178.568 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -55.27 -40.12 70.62 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.111 -1.618 . . . . 0.0 111.693 157.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 82' ' ' SER . . . . . . . . . . . . . 23.7 p -82.1 6.76 15.34 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 171.179 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 50.36 53.2 13.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.816 2.046 . . . . 0.0 112.804 -169.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 84' ' ' ILE . . . . . 0.645 HG23 ' CZ ' ' B' ' 113' ' ' ARG . 36.1 mt -114.69 102.6 14.07 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 N-CA-C 114.09 1.145 . . . . 0.0 114.09 178.427 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -66.77 123.52 20.36 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 120.96 -1.088 . . . . 0.0 108.623 160.367 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 36.1 mm -88.52 129.06 50.56 Favored Pre-proline 0 CA--C 1.542 0.661 0 C-N-CA 124.404 1.082 . . . . 0.0 109.865 171.653 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -51.74 138.19 50.36 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.219 1.946 . . . . 0.0 112.587 172.144 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 88' ' ' SER . . . . . . . . . . . . . 40.5 t -50.34 -44.86 54.58 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.893 0.877 . . . . 0.0 111.581 176.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 89' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.88 -43.34 49.25 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.709 1.204 . . . . 0.0 113.738 173.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 90' ' ' ILE . . . . . . . . . . . . . 24.9 mm -56.34 -56.63 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.484 0 O-C-N 120.949 -1.094 . . . . 0.0 110.264 172.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 91' ' ' ILE . . . . . 0.474 HG23 ' CD1' ' B' ' 68' ' ' LEU . 60.1 mt -54.25 -44.69 66.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 123.735 0.814 . . . . 0.0 110.804 -176.495 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -57.35 -59.84 4.53 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.973 174.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.11 -51.74 60.9 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 121.137 -0.977 . . . . 0.0 110.842 179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.64 -49.26 57.36 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.472 0.709 . . . . 0.0 112.867 179.036 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.36 -30.85 48.83 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 C-N-CA 124.073 0.949 . . . . 0.0 112.752 175.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.25 -55.4 10.65 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 120.847 -1.158 . . . . 0.0 112.27 168.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 97' ' ' GLN . . . . . . . . . . . . . 39.3 mm-40 -65.35 -37.29 86.59 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -174.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 54.79 75.52 0.3 Allowed 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.154 1.381 . . . . 0.0 114.181 177.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 13.3 mt -79.07 154.54 29.34 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 121.434 -0.791 . . . . 0.0 109.696 161.554 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.66 -56.49 2.77 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -164.18 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 101' ' ' SER . . . . . . . . . . . . . 6.7 p -87.9 157.81 18.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 120.107 1.321 . . . . 0.0 113.928 178.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -44.09 -49.92 8.7 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.806 2.042 . . . . 0.0 111.7 174.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -54.55 -45.31 73.44 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.438 1.095 . . . . 0.0 111.984 -178.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -67.27 -48.72 66.87 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 122.703 0.401 . . . . 0.0 110.937 -176.186 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 105' ' ' VAL . . . . . . . . . . . . . 34.5 m -62.78 -43.6 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.171 178.435 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . 0.306 3.9 pp -65.4 -30.15 70.93 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 120.501 -1.374 . . . . 0.0 113.38 177.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -63.4 -60.06 3.86 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.692 -1.255 . . . . 0.0 111.804 171.634 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 108' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -57.93 -44.27 86.79 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 122.628 0.371 . . . . 0.0 111.205 -179.087 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 92.3 mt -58.6 -53.85 41.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.319 -0.863 . . . . 0.0 113.009 173.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 110' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -53.81 -39.03 65.17 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 121.229 1.831 . . . . 0.0 112.095 175.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 111' ' ' THR . . . . . . . . . . . . . 22.5 m -62.39 -62.58 1.65 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.004 0.922 . . . . 0.0 112.529 175.056 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 112' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -55.9 -35.75 66.91 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.664 1.186 . . . . 0.0 112.108 177.358 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 113' ' ' ARG . . . . . 0.645 ' CZ ' HG23 ' B' ' 84' ' ' ILE . 23.3 ttt-85 -65.37 -30.43 71.26 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 119.622 -1.924 . . . . 0.0 111.754 173.335 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 114' ' ' THR . . . . . . . . . . . . 0.268 54.5 m -73.18 -36.73 66.64 Favored 'General case' 0 CA--C 1.538 0.493 0 O-C-N 120.694 -1.254 . . . . 0.0 114.111 168.522 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 115' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -49.48 -62.05 1.76 Allowed 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.442 1.019 . . . . 0.0 110.565 159.373 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -50.33 -47.17 55.9 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 179.342 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 117' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -48.48 -55.05 12.0 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.853 -1.155 . . . . 0.0 113.073 171.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.3 -40.97 98.84 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.212 -0.93 . . . . 0.0 112.094 177.75 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -59.04 -35.54 73.49 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.566 -1.334 . . . . 0.0 112.213 175.115 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 120' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -72.81 -11.41 60.59 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 120.038 -1.664 . . . . 0.0 113.188 171.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -94.39 -43.37 8.41 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.069 1.747 . . . . 0.0 112.398 -174.401 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -43.74 145.6 0.65 Allowed 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 115.836 1.791 . . . . 0.0 115.836 -176.277 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.09 134.14 56.75 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.019 1.728 . . . . 0.0 114.928 174.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.638 HD12 ' CE1' ' A' ' 79' ' ' TYR . 0.3 OUTLIER -107.05 124.49 49.73 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.685 1.194 . . . . 0.0 109.243 154.585 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 125' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.31 26.85 0.06 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -179.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? 61.61 -63.22 0.09 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 126.809 2.044 . . . . 0.0 114.122 -173.17 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 70.58 -76.55 0.52 Allowed Glycine 0 CA--C 1.534 1.279 0 C-N-CA 124.228 0.918 . . . . 0.0 112.854 -179.298 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 78.6 p -76.66 65.03 2.37 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.191 -1.182 . . . . 0.0 111.517 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 129' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.99 75.71 0.65 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.489 1.116 . . . . 0.0 111.639 -176.433 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt . . . . . 0 CA--C 1.538 0.495 0 C-N-CA 125.321 1.449 . . . . 0.0 111.462 177.321 . . . . . . . . 0 0 . 1 stop_ save_