data_6ey3_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 6ey3 _Structure_validation_residue.Date_analyzed 2018-01-12 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 full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.3 m . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 119.373 -0.346 . . . . 75.299999999999997 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.519 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER -174.74 55.5 0.15 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 75.129999999999995 110.317 179.973 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.519 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.6 Cg_exo 74.99 -162.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 74.120000000000005 111.039 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER -78.32 54.6 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 70.049999999999997 109.273 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 5' ' ' TRP 2.386 0.0 OUTLIER -74.21 -6.88 50.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 73.400000000000006 108.033 179.975 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 31.8 p 94.04 -28.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 75.120000000000005 110.436 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -65.08 -67.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 73.519999999999996 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -50.39 -40.05 48.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.007 -0.997 . . . . 62.039999999999999 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 74.439999999999998 112.512 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.7 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 119.307 -0.378 . . . . 65.420000000000002 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 158.22 -161.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 110.308 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 30.0 Cg_exo 75.02 -61.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 63.409999999999997 111.022 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 0.0 OUTLIER 114.56 34.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 73.349999999999994 109.34 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 16.9 t90 -54.64 -31.65 57.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 72.549999999999997 108.054 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 18.8 p 136.14 49.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 74.25 110.398 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 133.2 -49.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 74.420000000000002 109.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.9 t -163.67 -74.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.025 -0.989 . . . . 74.140000000000001 110.901 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 65.450000000000003 112.462 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 119.312 -0.375 . . . . 74.5 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 5.1 mtm105 172.36 -157.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 73.129999999999995 110.314 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 30.2 Cg_exo 74.95 -60.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 74.150000000000006 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER 117.4 36.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 55.340000000000003 109.319 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 8.6 t-105 -54.21 -33.21 57.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 75.25 108.06 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 39.9 m 101.97 -31.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 71.25 110.4 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -56.3 -55.42 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 65.239999999999995 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -37.19 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.998 -1.001 . . . . 50.210000000000001 110.872 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 61.329999999999998 112.537 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 119.331 -0.366 . . . . 74.019999999999996 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 146.0 -159.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 75.409999999999997 110.263 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.8 Cg_exo 74.99 -59.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 72.109999999999999 111.021 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.372 0.2 OUTLIER 115.28 31.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 73.439999999999998 109.305 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 7.9 t-105 -64.78 -17.94 64.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.014 -1.106 . . . . 74.120000000000005 108.014 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 30.6 p 88.61 79.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 71.409999999999997 110.386 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 177.9 -96.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 74.450000000000003 109.317 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.3 -25.09 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.958 -1.019 . . . . 73.519999999999996 110.863 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 50.439999999999998 112.452 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.23 0.034 0 CA-C-O 119.39 -0.338 . . . . 74.200000000000003 110.834 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 1.2 ptm180 145.44 -152.47 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 74.439999999999998 110.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 29.8 Cg_exo 75.02 -62.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 73.25 110.975 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER 120.06 39.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 74.349999999999994 109.302 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 0.8 OUTLIER -54.12 -33.02 56.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 72.140000000000001 107.998 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 4.7 m 137.92 52.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 71.200000000000003 110.402 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.413 . . 142.4 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 75.219999999999999 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.71 -64.57 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.02 -0.991 . . . . 75.530000000000001 110.883 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 74.439999999999998 112.467 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 119.307 -0.377 . . . . 65.519999999999996 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 142.28 -160.15 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 74.430000000000007 110.327 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.52 30.7 Cg_exo 74.88 -61.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.793 . . . . 74.530000000000001 111.017 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER 116.15 37.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 73.519999999999996 109.3 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 8.1 t-105 -62.33 -25.09 67.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 75.299999999999997 107.975 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 58.1 m 95.47 -26.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.450000000000003 110.357 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -52.86 -57.24 10.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 73.319999999999993 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -36.29 67.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.973 -1.012 . . . . 74.510000000000005 110.866 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 65.340000000000003 112.504 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 119.312 -0.375 . . . . 75.219999999999999 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.427 0.0 OUTLIER 169.47 -155.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 75.5 110.272 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.2 Cg_exo 75.02 -60.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 75.439999999999998 110.998 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 0.1 OUTLIER 122.96 40.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 74.040000000000006 109.336 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.8 OUTLIER -63.94 -22.17 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.439999999999998 108.003 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 19.8 m 147.05 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 73.239999999999995 110.417 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 177.65 -95.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 -42.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.019 -0.991 . . . . 70.030000000000001 110.886 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 71.030000000000001 112.536 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 119.345 -0.36 . . . . 72.329999999999998 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.427 0.0 OUTLIER 130.24 -157.61 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 73.299999999999997 110.319 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.0 Cg_exo 75.03 -60.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 55.520000000000003 111.019 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER 138.67 85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.099999999999994 109.32 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.0 OUTLIER -177.16 37.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 74.219999999999999 108.022 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.419 17.5 m 51.05 32.43 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 71.099999999999994 110.402 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.412 . . -64.87 -47.61 77.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 72.109999999999999 109.319 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -70.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.008 -0.997 . . . . 63.420000000000002 110.845 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 75.519999999999996 112.486 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.1 m . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 119.348 -0.358 . . . . 70.450000000000003 110.877 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 142.36 -162.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 75.530000000000001 110.27 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 29.9 Cg_exo 74.96 -61.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 75.409999999999997 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.1 OUTLIER 123.09 77.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 75.349999999999994 109.301 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 10.3 t-105 175.0 40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 75.329999999999998 107.984 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 13.6 t 51.1 46.28 26.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 72.129999999999995 110.389 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . -51.92 -54.44 29.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 71.019999999999996 109.284 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -22.3 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.956 -1.02 . . . . 72.200000000000003 110.875 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.706 -0.759 . . . . 61.25 112.462 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 119.318 -0.373 . . . . 64.400000000000006 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 162.42 -157.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 75.319999999999993 110.332 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.521 30.4 Cg_exo 74.98 -68.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 74.319999999999993 110.995 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.372 0.0 OUTLIER 136.34 67.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 72.519999999999996 109.32 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 3.8 t-105 -63.17 -34.62 78.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 75.219999999999999 108.016 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 6.1 m 93.89 48.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 71.129999999999995 110.399 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 168.05 -36.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 74.349999999999994 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.4 t -51.57 -72.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.952 -1.022 . . . . 70.049999999999997 110.863 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 71.439999999999998 112.479 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 119.32 -0.372 . . . . 74.140000000000001 110.904 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 0.0 OUTLIER 145.03 -161.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 110.277 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.521 29.9 Cg_exo 75.0 -63.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 74.25 111.002 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.372 0.0 OUTLIER 117.96 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 109.297 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 9.4 t-105 -54.99 -31.95 61.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 75.140000000000001 108.002 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 16.6 p 111.92 81.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 73.430000000000007 110.439 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.413 . . 177.15 -93.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 64.409999999999997 109.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.4 p -51.58 -44.91 62.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.016 -0.993 . . . . 51.520000000000003 110.914 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 61.350000000000001 112.494 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 119.269 -0.396 . . . . 70.310000000000002 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 143.69 -162.28 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 71.129999999999995 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.521 29.9 Cg_exo 74.99 -60.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.783 . . . . 64.099999999999994 110.95 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER 115.05 32.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 74.109999999999999 109.283 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.8 OUTLIER -64.05 -21.6 66.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 107.951 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 28.1 m 88.48 -7.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 75.010000000000005 110.404 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . -64.22 -94.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 72.329999999999998 109.305 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.1 p -53.17 -44.11 67.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.005 -0.998 . . . . 74.310000000000002 110.878 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 73.530000000000001 112.463 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 119.308 -0.377 . . . . 71.349999999999994 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 0.0 OUTLIER 137.54 -154.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 72.530000000000001 110.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 29.9 Cg_exo 75.04 -67.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 74.230000000000004 110.994 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.369 0.5 OUTLIER 126.43 43.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.209999999999994 109.35 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.486 ' CG ' ' O ' ' A' ' 5' ' ' TRP 2.387 0.0 OUTLIER -73.36 -4.79 35.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.114 . . . . 75.219999999999999 107.991 179.99 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 2.3 t 87.68 34.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 74.120000000000005 110.396 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 177.59 -95.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 64.019999999999996 109.331 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.27 -41.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.009 -0.996 . . . . 75.209999999999994 110.878 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 75.549999999999997 112.486 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.2 m . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 119.299 -0.382 . . . . 74.420000000000002 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.427 87.5 mtm180 139.08 -158.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 75.310000000000002 110.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 29.7 Cg_exo 75.0 -60.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 75.040000000000006 110.985 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.9 OUTLIER 133.25 86.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 75.219999999999999 109.306 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 2.3 t90 165.61 -32.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 74.439999999999998 107.943 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 13.2 t 149.65 -61.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 110.396 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 89.11 -52.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 71.329999999999998 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.79 -74.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.983 -1.008 . . . . 74.510000000000005 110.88 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.757 -0.735 . . . . 71.140000000000001 112.459 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 t . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 119.278 -0.392 . . . . 74.109999999999999 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 135.97 -163.06 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 72.540000000000006 110.326 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 30.2 Cg_exo 75.01 -60.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 72.200000000000003 110.993 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 0.0 OUTLIER 130.03 85.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 71.120000000000005 109.285 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 0.0 OUTLIER -179.16 38.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.230000000000004 108.005 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 53.3 p 151.18 -60.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 72.420000000000002 110.429 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.413 . . 123.28 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.328 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 123.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.961 -1.018 . . . . 73.519999999999996 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 72.409999999999997 112.5 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.23 0.043 0 CA-C-O 119.379 -0.344 . . . . 74.219999999999999 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.514 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER -174.76 55.29 0.15 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 74.140000000000001 110.282 -179.991 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.521 30.2 Cg_exo 74.98 -60.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 73.510000000000005 111.015 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.9 OUTLIER 170.65 101.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 72.540000000000006 109.287 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.0 OUTLIER 176.15 -44.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 72.019999999999996 107.996 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 18.1 p -64.44 -61.3 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 71.040000000000006 110.432 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 146.51 -36.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 71.409999999999997 109.29 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.13 -52.86 49.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.003 -0.999 . . . . 74.140000000000001 110.855 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 71.239999999999995 112.458 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 78.3 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 119.327 -0.368 . . . . 75.010000000000005 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.49 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.0 OUTLIER -174.24 54.99 0.16 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 75.140000000000001 110.303 179.981 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.1 Cg_exo 75.06 -116.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 72.400000000000006 110.989 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.372 0.0 OUTLIER -76.4 62.34 1.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 74.510000000000005 109.283 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 0.2 OUTLIER -61.72 -56.39 20.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.952 -1.129 . . . . 75.519999999999996 107.952 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 33.3 m 116.39 34.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 73.140000000000001 110.384 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 170.26 -36.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 71.230000000000004 109.343 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.4 t -52.02 -35.16 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.978 -1.01 . . . . 72.340000000000003 110.885 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 75.420000000000002 112.503 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 119.308 -0.377 . . . . 71.439999999999998 110.914 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 113.54 -158.87 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.409999999999997 110.283 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 29.8 Cg_exo 75.04 -59.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.787 . . . . 72.129999999999995 111.019 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.541 ' O ' ' CB ' ' A' ' 5' ' ' TRP 2.371 0.1 OUTLIER 146.96 90.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 73.310000000000002 109.323 -179.993 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.541 ' CB ' ' O ' ' A' ' 4' ' ' LEU 2.387 8.4 t-105 -158.97 27.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 73.340000000000003 108.038 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 29.4 p 46.44 35.78 3.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 75.439999999999998 110.376 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 155.54 -86.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 73.230000000000004 109.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.95 -36.61 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.005 -0.998 . . . . 64.439999999999998 110.894 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 64.340000000000003 112.452 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.5 m . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 119.292 -0.385 . . . . 75.109999999999999 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 0.0 OUTLIER 137.1 -165.84 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 75.109999999999999 110.304 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.5 Cg_exo 75.0 -61.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.802 . . . . 63.049999999999997 110.985 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 3.7 tt 144.87 93.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 74.439999999999998 109.293 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 0.0 OUTLIER 91.96 12.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 73.140000000000001 107.999 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 2.7 m -46.91 -43.04 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 72.200000000000003 110.388 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.413 . . 106.94 116.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 75.340000000000003 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 -42.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.993 -1.003 . . . . 70.519999999999996 110.9 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.682 -0.77 . . . . 73.120000000000005 112.448 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.0 m . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 119.351 -0.357 . . . . 63.420000000000002 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.529 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.43 0.0 OUTLIER -176.06 56.01 0.13 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 75.439999999999998 110.296 179.988 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.529 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.1 Cg_exo 75.06 -53.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 72.540000000000006 110.978 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 2.4 tt 177.18 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 75.549999999999997 109.286 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 0.0 OUTLIER 145.16 -19.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.988 -1.116 . . . . 75.019999999999996 107.988 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 0.5 OUTLIER -68.91 -8.94 48.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.434 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 118.99 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 73.409999999999997 109.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -122.1 -67.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.972 -1.013 . . . . 63.229999999999997 110.879 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 73.140000000000001 112.524 -179.995 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 119.306 -0.378 . . . . 75.329999999999998 110.909 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.43 0.3 OUTLIER 136.28 -158.58 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 73.040000000000006 110.293 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.3 Cg_exo 75.01 -60.51 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.473 1.776 . . . . 63.340000000000003 111.008 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 1.3 tt 128.55 83.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 71.340000000000003 109.312 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.2 OUTLIER 112.19 13.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.310000000000002 108.031 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 3.1 m -46.96 -45.23 20.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 75.019999999999996 110.401 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 130.38 -71.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 72.239999999999995 109.345 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 m 59.75 107.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.956 -1.02 . . . . 43.229999999999997 110.89 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 75.040000000000006 112.481 179.993 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 119.299 -0.382 . . . . 71.340000000000003 110.891 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.505 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.0 OUTLIER -174.13 55.06 0.16 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 73.549999999999997 110.313 179.931 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.505 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.2 Cg_exo 75.03 -63.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 73.519999999999996 110.998 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 5.1 tt 171.17 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.430000000000007 109.295 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.9 OUTLIER 152.75 -35.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 73.109999999999999 108.016 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 25.6 p -64.46 -57.89 7.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 73.409999999999997 110.444 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 123.36 117.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 74.310000000000002 109.3 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.08 -37.79 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.004 -0.998 . . . . 70.349999999999994 110.835 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 70.319999999999993 112.494 -179.993 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 119.384 -0.341 . . . . 62.020000000000003 110.863 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.472 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER -174.77 53.99 0.13 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 74.340000000000003 110.34 179.984 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 29.5 Cg_exo 75.07 -148.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 72.439999999999998 110.987 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER -78.88 51.86 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 75.319999999999993 109.329 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 29.9 m-90 -43.65 -42.16 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 72.010000000000005 108.017 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 2.9 t 119.03 35.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 75.5 110.404 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 8' ' ' CYS 2.414 . . 155.97 -64.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 62.340000000000003 109.292 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 7' ' ' ALA . 22.2 t 71.97 -62.51 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.057 -0.974 . . . . 74.329999999999998 110.88 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 51.030000000000001 112.51 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.8 m . . . . . 0 C--O 1.23 0.055 0 CA-C-O 119.338 -0.363 . . . . 75.439999999999998 110.916 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.514 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER -175.13 55.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 74.430000000000007 110.3 -179.985 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 30.6 Cg_exo 75.0 -29.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 75.329999999999998 111.021 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 2' ' ' ARG 2.37 0.6 OUTLIER 172.02 123.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 109.312 -179.984 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 0.1 OUTLIER 128.0 45.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 71.519999999999996 107.977 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 17.7 p 155.34 88.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 73.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -47.87 -28.17 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 65.230000000000004 109.342 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.3 p -40.03 -39.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.984 -1.007 . . . . 74.109999999999999 110.861 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 54.119999999999997 112.489 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 119.371 -0.347 . . . . 72.430000000000007 110.884 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 102.63 -168.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 74.040000000000006 110.287 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.1 Cg_exo 75.02 -71.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 74.420000000000002 110.997 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 2.0 tt 167.19 93.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 73.120000000000005 109.277 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.49 ' O ' ' CB ' ' A' ' 6' ' ' THR 2.387 0.1 OUTLIER 123.42 -17.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.111 . . . . 72.430000000000007 107.999 179.996 . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 5' ' ' TRP 2.417 2.8 p -81.94 40.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 74.219999999999999 110.465 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -49.49 -24.54 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 73.349999999999994 109.327 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -30.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.981 -1.009 . . . . 71.010000000000005 110.867 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 60.119999999999997 112.471 -179.994 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 119.358 -0.354 . . . . 72.25 110.906 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER -62.43 -62.19 6.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 72.420000000000002 110.31 179.976 . . . . . . . . 4 4 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 2' ' ' ARG 2.521 30.4 Cg_exo 74.95 -9.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.78 . . . . 71.129999999999995 111.01 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' O ' ' CB ' ' A' ' 5' ' ' TRP 2.371 0.0 OUTLIER 177.85 26.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 74.219999999999999 109.291 179.958 . . . . . . . . 4 4 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.412 ' CB ' ' O ' ' A' ' 4' ' ' LEU 2.388 11.5 t90 -81.53 -14.58 56.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 74.510000000000005 107.995 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 1.4 t 113.06 15.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 74.230000000000004 110.387 -179.965 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 127.47 116.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 62.409999999999997 109.338 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 t -100.59 -35.24 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.981 -1.008 . . . . 74.120000000000005 110.865 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.723 . . . . 74.409999999999997 112.493 -179.991 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 119.293 -0.385 . . . . 71.510000000000005 110.92 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.514 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER 59.65 55.52 4.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.549999999999997 110.264 179.953 . . . . . . . . 4 4 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 29.3 Cg_exo 75.01 -55.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.471 1.774 . . . . 74.409999999999997 110.94 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 0.0 OUTLIER 173.84 38.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 73.439999999999998 109.301 179.998 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.417 ' O ' ' CB ' ' A' ' 6' ' ' THR 2.387 0.1 OUTLIER -78.28 -37.01 45.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 75.400000000000006 108.041 179.931 . . . . . . . . 4 4 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.417 ' CB ' ' O ' ' A' ' 5' ' ' TRP 2.417 2.8 p -76.75 -77.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 74.099999999999994 110.396 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 167.63 -55.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 54.509999999999998 109.306 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m 54.89 103.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.962 -1.017 . . . . 73.319999999999993 110.852 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 71.219999999999999 112.448 179.95 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 119.367 -0.349 . . . . 71.019999999999996 110.865 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.496 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.3 OUTLIER -170.32 54.81 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 73.299999999999997 110.336 179.958 . . . . . . . . 4 4 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.496 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 29.6 Cg_exo 75.0 75.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 64.25 110.987 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER 145.93 -126.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 73.400000000000006 109.278 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.5 OUTLIER 64.27 12.09 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 74.340000000000003 107.999 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 0.5 OUTLIER 57.19 34.01 24.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 73.019999999999996 110.371 -179.973 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 153.68 -29.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 73.420000000000002 109.293 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.3 t -175.07 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.014 -0.994 . . . . 72.340000000000003 110.901 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.763 . . . . 53.210000000000001 112.473 179.983 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.4 m . . . . . 0 CA--C 1.526 0.035 0 CA-C-O 119.379 -0.343 . . . . 65.129999999999995 110.815 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.52 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.4 OUTLIER -173.11 55.76 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 73.430000000000007 110.328 179.986 . . . . . . . . 4 4 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.52 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 29.3 Cg_exo 75.03 48.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.528 1.804 . . . . 73.420000000000002 110.997 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 0.0 OUTLIER 162.61 -126.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 73.25 109.251 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.1 OUTLIER 78.42 -1.06 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.967 -1.123 . . . . 71.329999999999998 107.967 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 68.2 p 101.08 -30.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 73.230000000000004 110.376 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 150.86 -24.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 74.409999999999997 109.295 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m 61.47 108.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.976 -1.011 . . . . 75.439999999999998 110.895 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 73.310000000000002 112.468 -179.987 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 119.315 -0.374 . . . . 55.039999999999999 110.878 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.523 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER -175.07 56.01 0.16 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 74.420000000000002 110.282 179.982 . . . . . . . . 4 4 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.524 29.5 Cg_exo 75.07 -19.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.52 1.8 . . . . 74.340000000000003 110.98 179.931 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 2' ' ' ARG 2.371 2.6 pt? -67.32 -128.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 72.120000000000005 109.289 -179.961 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 6.4 t90 145.1 -18.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 74.519999999999996 107.978 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 14.0 p -64.71 -17.31 63.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 71.239999999999995 110.345 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 178.46 -74.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 54.039999999999999 109.27 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.07 123.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.016 -0.993 . . . . 74.319999999999993 110.887 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 73.340000000000003 112.491 179.989 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 119.31 -0.376 . . . . 74.519999999999996 110.926 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.484 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER -175.13 54.24 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.299999999999997 110.274 -179.976 . . . . . . . . 4 4 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 30.0 Cg_exo 74.99 166.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 73.5 111.018 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' C ' ' H ' ' A' ' 6' ' ' THR 2.371 2.6 pt? 108.61 -57.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 72.519999999999996 109.322 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.0 OUTLIER 82.98 -20.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 74.040000000000006 108.065 -179.948 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.45 ' H ' ' C ' ' A' ' 4' ' ' LEU 2.418 32.5 m -44.01 -33.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.439999999999998 110.451 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . -176.58 -98.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 54.049999999999997 109.3 -179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -172.68 -65.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.964 -1.016 . . . . 64.420000000000002 110.875 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 71.209999999999994 112.517 -180.0 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 119.292 -0.385 . . . . 71.439999999999998 110.867 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.44 ' CB ' ' CD ' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER 172.47 -174.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 74.030000000000001 110.316 179.944 . . . . . . . . 4 4 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 2' ' ' ARG 2.521 30.7 Cg_exo 74.95 -105.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.538 1.81 . . . . 72.129999999999995 111.027 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.718 ' O ' ' C ' ' A' ' 5' ' ' TRP 2.37 0.0 OUTLIER -79.68 53.1 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 72.120000000000005 109.262 -179.955 . . . . . . . . 4 4 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.718 ' C ' ' O ' ' A' ' 4' ' ' LEU 2.388 0.0 OUTLIER -12.12 -73.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 75.010000000000005 108.006 179.96 . . . . . . . . 4 4 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 4' ' ' LEU 2.418 67.8 p 82.64 -24.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 63.340000000000003 110.407 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.413 . . 130.3 -14.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 61.409999999999997 109.298 179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.54 -27.16 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.018 -0.992 . . . . 73.540000000000006 110.932 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 74.450000000000003 112.527 179.979 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 119.321 -0.371 . . . . 73.129999999999995 110.848 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.494 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.0 OUTLIER -172.48 54.42 0.19 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 74.109999999999999 110.296 179.935 . . . . . . . . 4 4 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.494 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.521 30.0 Cg_exo 74.97 173.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 73.25 110.998 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER -71.57 83.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.519999999999996 109.314 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 2.2 m-90 -176.08 36.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 75.439999999999998 108.054 180.0 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 0.2 OUTLIER 96.73 85.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 73.239999999999995 110.427 -179.951 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.59 ' O ' ' C ' ' A' ' 8' ' ' CYS 2.414 . . 152.01 118.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 109.259 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.59 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -21.22 -75.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.032 -0.985 . . . . 71.140000000000001 110.816 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 72.019999999999996 112.526 -179.947 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.437 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 119.338 -0.363 . . . . 72.099999999999994 110.866 . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.604 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.2 OUTLIER 176.62 59.95 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 75.310000000000002 110.245 179.979 . . . . . . . . 4 4 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.604 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.0 Cg_exo 74.99 161.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 64.400000000000006 110.991 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 6' ' ' THR 2.37 0.1 OUTLIER 72.67 29.68 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 73.219999999999999 109.226 179.961 . . . . . . . . 4 4 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 29.2 t90 -47.04 -28.21 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 107.995 179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.409 ' N ' ' C ' ' A' ' 4' ' ' LEU 2.418 69.7 m -42.5 -30.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 72.450000000000003 110.412 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -173.62 77.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 63.119999999999997 109.341 -179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -36.39 81.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.983 -1.008 . . . . 72.340000000000003 110.904 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 74.109999999999999 112.42 179.913 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 79.1 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 119.301 -0.38 . . . . 64.200000000000003 110.858 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.528 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.0 OUTLIER -173.9 56.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 75.329999999999998 110.313 179.969 . . . . . . . . 4 4 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.528 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.1 Cg_exo 75.01 -8.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.761 . . . . 73.219999999999999 111.002 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.372 2.6 pt? -66.99 -126.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 109.342 179.984 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.0 OUTLIER 143.12 -17.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 72.019999999999996 107.982 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 16.7 p -59.62 -21.98 61.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 64.319999999999993 110.394 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 142.37 114.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 70.219999999999999 109.287 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.1 -75.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.996 -1.002 . . . . 71.230000000000004 110.94 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 54.439999999999998 112.535 179.977 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 119.309 -0.377 . . . . 73.439999999999998 110.909 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.513 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.4 OUTLIER -174.82 55.42 0.15 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 75.150000000000006 110.319 179.945 . . . . . . . . 4 4 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.513 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.2 Cg_exo 75.03 166.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 74.219999999999999 111.004 -180.0 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 2.6 pt? 102.28 -71.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 73.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.8 OUTLIER 83.22 -7.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.969 -1.122 . . . . 74.099999999999994 107.969 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 19.2 p -57.67 -23.07 49.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 74.049999999999997 110.376 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 168.05 105.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 63.140000000000001 109.323 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.84 -38.68 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.005 -0.998 . . . . 71.430000000000007 110.865 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 72.219999999999999 112.468 179.976 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.502 ' C ' ' HG3' ' A' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 119.383 -0.342 . . . . 74.420000000000002 110.861 . . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.608 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER 153.44 60.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 110.312 -179.977 . . . . . . . . 4 4 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.608 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 30.2 Cg_exo 75.02 -51.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 73.430000000000007 110.989 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.493 ' HG ' ' C ' ' A' ' 3' ' ' PRO 2.37 0.1 OUTLIER -61.1 -120.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 73.420000000000002 109.349 -179.973 . . . . . . . . 4 4 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 0.0 OUTLIER 68.98 3.94 4.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 108.022 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 44.3 p 49.42 39.8 17.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 71.219999999999999 110.416 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 164.17 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 72.219999999999999 109.3 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -49.69 -30.59 9.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.015 -0.993 . . . . 73.340000000000003 110.927 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 61.409999999999997 112.488 179.985 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 119.329 -0.367 . . . . 72.109999999999999 110.897 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 0.0 OUTLIER 174.54 -171.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 75.099999999999994 110.306 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 30.2 Cg_exo 74.96 -60.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 75.219999999999999 110.986 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.607 ' C ' ' H ' ' A' ' 6' ' ' THR 2.372 1.7 pt? -58.46 -25.96 62.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 75.409999999999997 109.326 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.477 ' O ' ' CB ' ' A' ' 6' ' ' THR 2.388 0.0 OUTLIER 74.61 -29.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 74.120000000000005 107.997 -179.983 . . . . . . . . 4 4 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.607 ' H ' ' C ' ' A' ' 4' ' ' LEU 2.416 0.0 OUTLIER -168.1 25.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 61.450000000000003 110.408 -179.997 . . . . . . . . 4 4 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 6' ' ' THR 2.415 . . -80.48 -104.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 73.140000000000001 109.306 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 m 48.74 98.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.956 -1.02 . . . . 74.439999999999998 110.897 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 60.009999999999998 112.514 179.989 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 119.29 -0.386 . . . . 73.329999999999998 110.829 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.591 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER 179.01 59.34 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 73.129999999999995 110.296 179.985 . . . . . . . . 4 4 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.591 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 30.0 Cg_exo 75.04 31.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 74.439999999999998 110.981 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER 154.15 -130.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 73.099999999999994 109.325 -179.953 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' THR 2.388 5.8 p-90 47.06 28.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.014 -1.106 . . . . 74.200000000000003 108.014 179.988 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' TRP 2.417 7.3 t -34.79 -42.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 75.5 110.433 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . -65.54 -67.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.099999999999994 109.236 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.72 119.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.014 -0.994 . . . . 71.099999999999994 110.877 -179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 64.530000000000001 112.468 -179.994 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 119.309 -0.376 . . . . 71.510000000000005 110.908 . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.436 ' CB ' ' CD ' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER 166.34 -174.46 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 75.349999999999994 110.293 179.985 . . . . . . . . 4 4 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.6 Cg_exo 74.98 -53.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 75.319999999999993 111.007 179.972 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 6' ' ' THR 2.372 1.3 pt? -50.95 -30.78 15.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 71.420000000000002 109.332 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.563 ' O ' ' CG2' ' A' ' 6' ' ' THR 2.387 3.2 t-105 62.1 3.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 73.450000000000003 107.981 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.563 ' CG2' ' O ' ' A' ' 5' ' ' TRP 2.417 0.3 OUTLIER -177.21 -35.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 74.209999999999994 110.386 179.981 . . . . . . . . 4 4 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -74.96 -89.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 62.439999999999998 109.29 179.973 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.4 t -178.31 -56.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.018 -0.992 . . . . 74.230000000000004 110.9 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 72.219999999999999 112.518 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.3 m . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 119.373 -0.346 . . . . 75.299999999999997 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.52 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER -174.74 55.5 0.15 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 71.140000000000001 110.317 179.973 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.52 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.6 Cg_exo 74.99 -162.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 71.409999999999997 111.039 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 4' ' ' LEU 2.371 0.0 OUTLIER -78.32 54.6 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 70.049999999999997 109.273 -179.996 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 5' ' ' TRP 2.386 0.0 OUTLIER -74.21 -6.88 50.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 60.43 108.033 179.975 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 31.8 p 94.04 -28.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 75.120000000000005 110.436 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -65.08 -67.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 73.519999999999996 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -50.39 -40.05 48.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.007 -0.997 . . . . 40.240000000000002 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 74.439999999999998 112.512 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.7 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 119.307 -0.378 . . . . 65.420000000000002 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 158.22 -161.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 110.308 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 30.0 Cg_exo 75.02 -61.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 63.229999999999997 111.022 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 0.0 OUTLIER 114.56 34.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 52.520000000000003 109.34 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 16.9 t90 -54.64 -31.65 57.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 72.310000000000002 108.054 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 18.8 p 136.14 49.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 72.329999999999998 110.398 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 133.2 -49.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 74.420000000000002 109.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.9 t -163.67 -74.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.025 -0.989 . . . . 71.239999999999995 110.901 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 65.450000000000003 112.462 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 119.312 -0.375 . . . . 74.5 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.688 ' HD3' HD13 ' A' ' 4' ' ' LEU 2.428 5.1 mtm105 172.36 -157.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 73.129999999999995 110.314 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 30.2 Cg_exo 74.95 -60.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 74.150000000000006 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.688 HD13 ' HD3' ' A' ' 2' ' ' ARG 2.371 0.0 OUTLIER 117.4 36.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 53.109999999999999 109.319 -179.959 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 8.6 t-105 -54.21 -33.21 57.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 75.25 108.06 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 4' ' ' LEU 2.417 39.9 m 101.97 -31.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 63.030000000000001 110.4 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -56.3 -55.42 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 65.239999999999995 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -37.19 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.998 -1.001 . . . . 50.210000000000001 110.872 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 61.329999999999998 112.537 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 119.331 -0.366 . . . . 74.019999999999996 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 146.0 -159.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 75.409999999999997 110.263 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.587 ' C ' HD12 ' A' ' 4' ' ' LEU 2.522 30.8 Cg_exo 74.99 -59.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 55.130000000000003 111.021 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.64 HD23 ' HA3' ' A' ' 9' ' ' GLY 2.372 0.2 OUTLIER 115.28 31.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 73.439999999999998 109.305 -179.986 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 7.9 t-105 -64.78 -17.94 64.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.014 -1.106 . . . . 74.120000000000005 108.014 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 30.6 p 88.61 79.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 71.409999999999997 110.386 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 177.9 -96.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 53.149999999999999 109.317 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.3 -25.09 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.958 -1.019 . . . . 71.209999999999994 110.863 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.64 ' HA3' HD23 ' A' ' 4' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 43.109999999999999 112.452 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.23 0.034 0 CA-C-O 119.39 -0.338 . . . . 74.200000000000003 110.834 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 1.2 ptm180 145.44 -152.47 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 72.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 29.8 Cg_exo 75.02 -62.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 72.349999999999994 110.975 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 6' ' ' THR 2.371 0.0 OUTLIER 120.06 39.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 62.439999999999998 109.302 -179.969 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 0.8 OUTLIER -54.12 -33.02 56.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 72.140000000000001 107.998 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 4' ' ' LEU 2.417 4.7 m 137.92 52.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 53.210000000000001 110.402 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.413 . . 142.4 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 75.219999999999999 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.71 -64.57 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.02 -0.991 . . . . 34.149999999999999 110.883 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 74.439999999999998 112.467 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 119.307 -0.377 . . . . 65.519999999999996 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 142.28 -160.15 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 60.229999999999997 110.327 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.52 30.7 Cg_exo 74.88 -61.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.793 . . . . 70.25 111.017 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.625 HD23 ' CG2' ' A' ' 6' ' ' THR 2.371 0.0 OUTLIER 116.15 37.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 65.439999999999998 109.3 179.988 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 8.1 t-105 -62.33 -25.09 67.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 75.299999999999997 107.975 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.625 ' CG2' HD23 ' A' ' 4' ' ' LEU 2.417 58.1 m 95.47 -26.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.450000000000003 110.357 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -52.86 -57.24 10.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 73.319999999999993 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -36.29 67.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.973 -1.012 . . . . 70.439999999999998 110.866 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 65.340000000000003 112.504 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 119.312 -0.375 . . . . 53.130000000000003 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.427 0.0 OUTLIER 169.47 -155.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 52.009999999999998 110.272 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.2 Cg_exo 75.02 -60.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 75.439999999999998 110.998 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 0.1 OUTLIER 122.96 40.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 64.420000000000002 109.336 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.8 OUTLIER -63.94 -22.17 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.439999999999998 108.003 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 19.8 m 147.05 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 71.129999999999995 110.417 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 177.65 -95.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 -42.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.019 -0.991 . . . . 63.340000000000003 110.886 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 71.030000000000001 112.536 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 119.345 -0.36 . . . . 72.329999999999998 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.427 0.0 OUTLIER 130.24 -157.61 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 73.299999999999997 110.319 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.0 Cg_exo 75.03 -60.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 35.229999999999997 111.019 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER 138.67 85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.099999999999994 109.32 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.0 OUTLIER -177.16 37.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 74.219999999999999 108.022 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.419 17.5 m 51.05 32.43 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 53.229999999999997 110.402 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.412 . . -64.87 -47.61 77.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 60.240000000000002 109.319 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -70.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.008 -0.997 . . . . 63.420000000000002 110.845 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 75.519999999999996 112.486 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.409 ' H2 ' ' HA ' ' A' ' 7' ' ' ALA . 85.1 m . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 119.348 -0.358 . . . . 42.509999999999998 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 142.36 -162.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 75.530000000000001 110.27 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 29.9 Cg_exo 74.96 -61.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 73.099999999999994 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 4' ' ' LEU 2.371 0.1 OUTLIER 123.09 77.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 75.349999999999994 109.301 -179.963 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 10.3 t-105 175.0 40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 75.329999999999998 107.984 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 13.6 t 51.1 46.28 26.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 72.129999999999995 110.389 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.409 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS 2.415 . . -51.92 -54.44 29.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 71.019999999999996 109.284 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -22.3 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.956 -1.02 . . . . 72.200000000000003 110.875 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.706 -0.759 . . . . 61.25 112.462 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 119.318 -0.373 . . . . 64.400000000000006 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 162.42 -157.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 110.332 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.709 ' O ' HD13 ' A' ' 4' ' ' LEU 2.521 30.4 Cg_exo 74.98 -68.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 74.319999999999993 110.995 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 3' ' ' PRO 2.372 0.0 OUTLIER 136.34 67.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 72.519999999999996 109.32 -179.982 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 3.8 t-105 -63.17 -34.62 78.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 75.219999999999999 108.016 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.513 ' CG2' HD23 ' A' ' 4' ' ' LEU 2.417 6.1 m 93.89 48.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 71.129999999999995 110.399 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 168.05 -36.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 74.349999999999994 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.4 t -51.57 -72.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.952 -1.022 . . . . 70.049999999999997 110.863 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 62.439999999999998 112.479 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 119.32 -0.372 . . . . 71.129999999999995 110.904 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 0.0 OUTLIER 145.03 -161.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 110.277 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.521 29.9 Cg_exo 75.0 -63.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 54.439999999999998 111.002 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 4' ' ' LEU 2.372 0.0 OUTLIER 117.96 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 109.297 179.95 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 9.4 t-105 -54.99 -31.95 61.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 65.510000000000005 108.002 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 16.6 p 111.92 81.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 54.219999999999999 110.439 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.413 . . 177.15 -93.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 62.299999999999997 109.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.4 p -51.58 -44.91 62.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.016 -0.993 . . . . 51.520000000000003 110.914 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 61.350000000000001 112.494 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 119.269 -0.396 . . . . 70.310000000000002 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 143.69 -162.28 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 54.119999999999997 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.521 29.9 Cg_exo 74.99 -60.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.783 . . . . 61.32 110.95 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HB2' HG22 ' A' ' 6' ' ' THR 2.371 0.0 OUTLIER 115.05 32.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 74.109999999999999 109.283 179.98 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.8 OUTLIER -64.05 -21.6 66.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 107.951 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 4' ' ' LEU 2.417 28.1 m 88.48 -7.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 75.010000000000005 110.404 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . -64.22 -94.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 64.120000000000005 109.305 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.1 p -53.17 -44.11 67.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.005 -0.998 . . . . 74.310000000000002 110.878 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 73.530000000000001 112.463 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 119.308 -0.377 . . . . 71.349999999999994 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 0.0 OUTLIER 137.54 -154.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 64.409999999999997 110.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.674 ' O ' HD23 ' A' ' 4' ' ' LEU 2.523 29.9 Cg_exo 75.04 -67.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 53.229999999999997 110.994 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 3' ' ' PRO 2.369 0.5 OUTLIER 126.43 43.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.209999999999994 109.35 -179.99 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.486 ' CG ' ' O ' ' A' ' 5' ' ' TRP 2.387 0.0 OUTLIER -73.36 -4.79 35.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.114 . . . . 75.219999999999999 107.991 179.99 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.55 HG23 ' HB2' ' A' ' 4' ' ' LEU 2.416 2.3 t 87.68 34.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 74.120000000000005 110.396 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 177.59 -95.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 54.310000000000002 109.331 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.27 -41.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.009 -0.996 . . . . 65.540000000000006 110.878 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 75.549999999999997 112.486 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.2 m . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 119.299 -0.382 . . . . 74.420000000000002 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.427 87.5 mtm180 139.08 -158.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 75.310000000000002 110.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 29.7 Cg_exo 75.0 -60.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 65.540000000000006 110.985 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.9 OUTLIER 133.25 86.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 75.219999999999999 109.306 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 2.3 t90 165.61 -32.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 74.439999999999998 107.943 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 13.2 t 149.65 -61.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 110.396 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 89.11 -52.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 71.329999999999998 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.79 -74.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.983 -1.008 . . . . 73.400000000000006 110.88 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.757 -0.735 . . . . 71.140000000000001 112.459 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 t . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 119.278 -0.392 . . . . 72.540000000000006 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.615 ' HB3' ' HB2' ' A' ' 7' ' ' ALA 2.428 0.0 OUTLIER 135.97 -163.06 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 72.540000000000006 110.326 -179.99 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 30.2 Cg_exo 75.01 -60.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 72.200000000000003 110.993 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 4' ' ' LEU 2.37 0.0 OUTLIER 130.03 85.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 71.120000000000005 109.285 179.98 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 0.0 OUTLIER -179.16 38.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.230000000000004 108.005 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 53.3 p 151.18 -60.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 72.420000000000002 110.429 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' A' ' 2' ' ' ARG 2.413 . . 123.28 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.328 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 123.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.961 -1.018 . . . . 73.519999999999996 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 70.329999999999998 112.5 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.23 0.043 0 CA-C-O 119.379 -0.344 . . . . 74.219999999999999 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.514 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER -174.76 55.29 0.15 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 70.530000000000001 110.282 -179.991 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.521 30.2 Cg_exo 74.98 -60.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 73.510000000000005 111.015 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 7' ' ' ALA 2.371 0.9 OUTLIER 170.65 101.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 54.109999999999999 109.287 179.99 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.0 OUTLIER 176.15 -44.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 64.099999999999994 107.996 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 18.1 p -64.44 -61.3 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 62.340000000000003 110.432 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.488 ' HB2' ' CD1' ' A' ' 4' ' ' LEU 2.414 . . 146.51 -36.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 71.409999999999997 109.29 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.13 -52.86 49.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.003 -0.999 . . . . 74.140000000000001 110.855 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 65.109999999999999 112.458 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 78.3 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 119.327 -0.368 . . . . 75.010000000000005 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.49 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.0 OUTLIER -174.24 54.99 0.16 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 75.140000000000001 110.303 179.981 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.1 Cg_exo 75.06 -116.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 65.430000000000007 110.989 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.372 0.0 OUTLIER -76.4 62.34 1.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 73.25 109.283 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 0.2 OUTLIER -61.72 -56.39 20.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.952 -1.129 . . . . 75.519999999999996 107.952 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 33.3 m 116.39 34.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 73.140000000000001 110.384 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 170.26 -36.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 71.230000000000004 109.343 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.4 t -52.02 -35.16 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.978 -1.01 . . . . 72.340000000000003 110.885 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 75.420000000000002 112.503 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 119.308 -0.377 . . . . 71.439999999999998 110.914 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 113.54 -158.87 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.140000000000001 110.283 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.749 ' O ' HD23 ' A' ' 4' ' ' LEU 2.523 29.8 Cg_exo 75.04 -59.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.787 . . . . 72.129999999999995 111.019 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.749 HD23 ' O ' ' A' ' 3' ' ' PRO 2.371 0.1 OUTLIER 146.96 90.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 72.540000000000006 109.323 -179.993 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.541 ' CB ' ' O ' ' A' ' 4' ' ' LEU 2.387 8.4 t-105 -158.97 27.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 73.340000000000003 108.038 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 29.4 p 46.44 35.78 3.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 75.439999999999998 110.376 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 155.54 -86.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 54.310000000000002 109.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.95 -36.61 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.005 -0.998 . . . . 64.439999999999998 110.894 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 61.520000000000003 112.452 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.5 m . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 119.292 -0.385 . . . . 60.030000000000001 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 0.0 OUTLIER 137.1 -165.84 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 74.430000000000007 110.304 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.5 Cg_exo 75.0 -61.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.802 . . . . 63.049999999999997 110.985 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 3.7 tt 144.87 93.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 74.439999999999998 109.293 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 0.0 OUTLIER 91.96 12.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 73.140000000000001 107.999 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 2.7 m -46.91 -43.04 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 65.010000000000005 110.388 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.413 . . 106.94 116.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 54.43 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 -42.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.993 -1.003 . . . . 70.519999999999996 110.9 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.682 -0.77 . . . . 54.509999999999998 112.448 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.0 m . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 119.351 -0.357 . . . . 62.140000000000001 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.53 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.43 0.0 OUTLIER -176.06 56.01 0.13 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 64.349999999999994 110.296 179.988 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.53 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.1 Cg_exo 75.06 -53.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 72.540000000000006 110.978 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.72 HD13 ' O ' ' A' ' 8' ' ' CYS 2.371 2.4 tt 177.18 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 75.549999999999997 109.286 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.437 ' O ' HG23 ' A' ' 6' ' ' THR 2.386 0.0 OUTLIER 145.16 -19.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.988 -1.116 . . . . 72.299999999999997 107.988 179.949 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.522 ' O ' HG22 ' A' ' 6' ' ' THR 2.416 0.5 OUTLIER -68.91 -8.94 48.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.434 179.95 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 118.99 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 73.409999999999997 109.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.72 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -122.1 -67.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.972 -1.013 . . . . 63.229999999999997 110.879 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 73.140000000000001 112.524 -179.995 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 119.306 -0.378 . . . . 75.329999999999998 110.909 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.43 0.3 OUTLIER 136.28 -158.58 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 70.319999999999993 110.293 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.3 Cg_exo 75.01 -60.51 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.473 1.776 . . . . 61.329999999999998 111.008 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 1.3 tt 128.55 83.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 64.140000000000001 109.312 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.2 OUTLIER 112.19 13.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.310000000000002 108.031 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 3.1 m -46.96 -45.23 20.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 72.349999999999994 110.401 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 130.38 -71.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 72.239999999999995 109.345 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 m 59.75 107.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.956 -1.02 . . . . 43.229999999999997 110.89 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 75.040000000000006 112.481 179.993 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 119.299 -0.382 . . . . 71.340000000000003 110.891 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.504 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.0 OUTLIER -174.13 55.06 0.16 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 73.549999999999997 110.313 179.931 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.504 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.2 Cg_exo 75.03 -63.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 64.25 110.998 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 7' ' ' ALA 2.371 5.1 tt 171.17 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.430000000000007 109.295 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.9 OUTLIER 152.75 -35.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 73.010000000000005 108.016 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 25.6 p -64.46 -57.89 7.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 65.540000000000006 110.444 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.59 ' HB2' HD12 ' A' ' 4' ' ' LEU 2.415 . . 123.36 117.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 74.310000000000002 109.3 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.08 -37.79 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.004 -0.998 . . . . 70.349999999999994 110.835 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 70.319999999999993 112.494 -179.993 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 119.384 -0.341 . . . . 62.020000000000003 110.863 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.472 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER -174.77 53.99 0.13 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 52.049999999999997 110.34 179.984 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 29.5 Cg_exo 75.07 -148.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 64.209999999999994 110.987 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER -78.88 51.86 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 61.219999999999999 109.329 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 29.9 m-90 -43.65 -42.16 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 72.010000000000005 108.017 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 2.9 t 119.03 35.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 75.5 110.404 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 8' ' ' CYS 2.414 . . 155.97 -64.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 34.219999999999999 109.292 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 7' ' ' ALA . 22.2 t 71.97 -62.51 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.057 -0.974 . . . . 72.400000000000006 110.88 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 51.030000000000001 112.51 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.8 m . . . . . 0 C--O 1.23 0.055 0 CA-C-O 119.338 -0.363 . . . . 75.439999999999998 110.916 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.516 ' C ' ' H ' ' A' ' 4' ' ' LEU 2.428 0.0 OUTLIER -175.13 55.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 73.439999999999998 110.3 -179.985 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 30.6 Cg_exo 75.0 -29.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 75.329999999999998 111.021 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 2' ' ' ARG 2.37 0.6 OUTLIER 172.02 123.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 109.312 -179.984 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 0.1 OUTLIER 128.0 45.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 71.519999999999996 107.977 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 8' ' ' CYS 2.417 17.7 p 155.34 88.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 73.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -47.87 -28.17 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 65.230000000000004 109.342 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.519 ' H ' HG23 ' A' ' 6' ' ' THR . 27.3 p -40.03 -39.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.984 -1.007 . . . . 74.109999999999999 110.861 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 31.41 112.489 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 119.371 -0.347 . . . . 63.340000000000003 110.884 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 102.63 -168.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 62.109999999999999 110.287 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.1 Cg_exo 75.02 -71.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 71.420000000000002 110.997 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 2.0 tt 167.19 93.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 73.120000000000005 109.277 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.49 ' O ' ' CB ' ' A' ' 6' ' ' THR 2.387 0.1 OUTLIER 123.42 -17.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.111 . . . . 72.430000000000007 107.999 179.996 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 5' ' ' TRP 2.417 2.8 p -81.94 40.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 71.519999999999996 110.465 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -49.49 -24.54 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 73.349999999999994 109.327 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -30.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.981 -1.009 . . . . 71.010000000000005 110.867 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 52.100000000000001 112.471 -179.994 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 119.358 -0.354 . . . . 61.240000000000002 110.906 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER -62.43 -62.19 6.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 64.340000000000003 110.31 179.976 . . . . . . . . 4 4 . 1 . 026 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 2' ' ' ARG 2.521 30.4 Cg_exo 74.95 -9.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.78 . . . . 70.420000000000002 111.01 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' HB2' HG23 ' A' ' 6' ' ' THR 2.371 0.0 OUTLIER 177.85 26.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 53.030000000000001 109.291 179.958 . . . . . . . . 4 4 . 1 . 026 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.412 ' CB ' ' O ' ' A' ' 4' ' ' LEU 2.388 11.5 t90 -81.53 -14.58 56.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 74.510000000000005 107.995 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.488 HG23 ' HB2' ' A' ' 4' ' ' LEU 2.418 1.4 t 113.06 15.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 74.230000000000004 110.387 -179.965 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 127.47 116.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 62.409999999999997 109.338 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 t -100.59 -35.24 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.981 -1.008 . . . . 42.420000000000002 110.865 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.723 . . . . 63.310000000000002 112.493 -179.991 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 119.293 -0.385 . . . . 71.510000000000005 110.92 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.514 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER 59.65 55.52 4.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 110.264 179.953 . . . . . . . . 4 4 . 1 . 027 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 29.3 Cg_exo 75.01 -55.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.471 1.774 . . . . 73.310000000000002 110.94 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.096 HD23 ' HB2' ' A' ' 7' ' ' ALA 2.37 0.0 OUTLIER 173.84 38.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 73.439999999999998 109.301 179.998 . . . . . . . . 4 4 . 1 . 027 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.417 ' O ' ' CB ' ' A' ' 6' ' ' THR 2.387 0.1 OUTLIER -78.28 -37.01 45.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 75.400000000000006 108.041 179.931 . . . . . . . . 4 4 . 1 . 027 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.417 ' CB ' ' O ' ' A' ' 5' ' ' TRP 2.417 2.8 p -76.75 -77.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 73.319999999999993 110.396 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 1.096 ' HB2' HD23 ' A' ' 4' ' ' LEU 2.414 . . 167.63 -55.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 54.509999999999998 109.306 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m 54.89 103.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.962 -1.017 . . . . 71.230000000000004 110.852 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 71.219999999999999 112.448 179.95 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 119.367 -0.349 . . . . 64.530000000000001 110.865 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.496 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.3 OUTLIER -170.32 54.81 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 62.109999999999999 110.336 179.958 . . . . . . . . 4 4 . 1 . 028 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.691 ' C ' HD12 ' A' ' 4' ' ' LEU 2.523 29.6 Cg_exo 75.0 75.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 44.340000000000003 110.987 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.691 HD12 ' C ' ' A' ' 3' ' ' PRO 2.371 0.0 OUTLIER 145.93 -126.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 73.400000000000006 109.278 -179.999 . . . . . . . . 4 4 . 1 . 028 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.5 OUTLIER 64.27 12.09 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 74.340000000000003 107.999 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.596 HG23 ' HB3' ' A' ' 4' ' ' LEU 2.416 0.5 OUTLIER 57.19 34.01 24.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 73.019999999999996 110.371 -179.973 . . . . . . . . 4 4 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 153.68 -29.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 51.310000000000002 109.293 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.3 t -175.07 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.014 -0.994 . . . . 72.340000000000003 110.901 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.763 . . . . 53.210000000000001 112.473 179.983 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.4 m . . . . . 0 CA--C 1.526 0.035 0 CA-C-O 119.379 -0.343 . . . . 65.129999999999995 110.815 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.52 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.4 OUTLIER -173.11 55.76 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 73.430000000000007 110.328 179.986 . . . . . . . . 4 4 . 1 . 029 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.701 ' O ' HD12 ' A' ' 4' ' ' LEU 2.523 29.3 Cg_exo 75.03 48.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.528 1.804 . . . . 60.030000000000001 110.997 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 3' ' ' PRO 2.37 0.0 OUTLIER 162.61 -126.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 54.43 109.251 -179.99 . . . . . . . . 4 4 . 1 . 029 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.1 OUTLIER 78.42 -1.06 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.967 -1.123 . . . . 71.329999999999998 107.967 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 68.2 p 101.08 -30.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 73.030000000000001 110.376 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 150.86 -24.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 74.409999999999997 109.295 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m 61.47 108.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.976 -1.011 . . . . 62.520000000000003 110.895 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 73.310000000000002 112.468 -179.987 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 119.315 -0.374 . . . . 50.450000000000003 110.878 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.523 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER -175.07 56.01 0.16 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 74.420000000000002 110.282 179.982 . . . . . . . . 4 4 . 1 . 030 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.524 29.5 Cg_exo 75.07 -19.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.52 1.8 . . . . 74.129999999999995 110.98 179.931 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 2' ' ' ARG 2.371 2.6 pt? -67.32 -128.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 63.219999999999999 109.289 -179.961 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 6.4 t90 145.1 -18.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 74.519999999999996 107.978 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 14.0 p -64.71 -17.31 63.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 64.5 110.345 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 178.46 -74.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 52.130000000000003 109.27 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.07 123.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.016 -0.993 . . . . 61.43 110.887 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 53.420000000000002 112.491 179.989 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 119.31 -0.376 . . . . 74.519999999999996 110.926 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.484 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER -175.13 54.24 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.299999999999997 110.274 -179.976 . . . . . . . . 4 4 . 1 . 031 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 30.0 Cg_exo 74.99 166.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 73.5 111.018 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 6' ' ' THR 2.371 2.6 pt? 108.61 -57.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 72.519999999999996 109.322 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.471 ' C ' ' HG1' ' A' ' 6' ' ' THR 2.387 0.0 OUTLIER 82.98 -20.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 74.040000000000006 108.065 -179.948 . . . . . . . . 4 4 . 1 . 031 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 7' ' ' ALA 2.418 32.5 m -44.01 -33.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.019999999999996 110.451 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 6' ' ' THR 2.415 . . -176.58 -98.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 54.049999999999997 109.3 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -172.68 -65.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.964 -1.016 . . . . 64.420000000000002 110.875 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 71.209999999999994 112.517 -180.0 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 119.292 -0.385 . . . . 71.439999999999998 110.867 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.44 ' CB ' ' CD ' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER 172.47 -174.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 71.219999999999999 110.316 179.944 . . . . . . . . 4 4 . 1 . 032 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 2' ' ' ARG 2.521 30.7 Cg_exo 74.95 -105.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.538 1.81 . . . . 62.5 111.027 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.718 ' O ' ' C ' ' A' ' 5' ' ' TRP 2.37 0.0 OUTLIER -79.68 53.1 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 72.120000000000005 109.262 -179.955 . . . . . . . . 4 4 . 1 . 032 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.718 ' C ' ' O ' ' A' ' 4' ' ' LEU 2.388 0.0 OUTLIER -12.12 -73.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 71.420000000000002 108.006 179.96 . . . . . . . . 4 4 . 1 . 032 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 4' ' ' LEU 2.418 67.8 p 82.64 -24.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 62.43 110.407 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' ' 5' ' ' TRP 2.413 . . 130.3 -14.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 54.119999999999997 109.298 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.54 -27.16 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.018 -0.992 . . . . 73.540000000000006 110.932 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 74.450000000000003 112.527 179.979 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 119.321 -0.371 . . . . 73.129999999999995 110.848 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.494 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.0 OUTLIER -172.48 54.42 0.19 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 55.140000000000001 110.296 179.935 . . . . . . . . 4 4 . 1 . 033 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.494 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.521 30.0 Cg_exo 74.97 173.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 73.25 110.998 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER -71.57 83.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 63.149999999999999 109.314 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.414 ' HD1' HG22 ' A' ' 6' ' ' THR 2.387 2.2 m-90 -176.08 36.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 71.409999999999997 108.054 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.414 HG22 ' HD1' ' A' ' 5' ' ' TRP 2.417 0.2 OUTLIER 96.73 85.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 55.219999999999999 110.427 -179.951 . . . . . . . . 4 4 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.59 ' O ' ' C ' ' A' ' 8' ' ' CYS 2.414 . . 152.01 118.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 51.310000000000002 109.259 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.59 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -21.22 -75.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.032 -0.985 . . . . 71.140000000000001 110.816 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 71.430000000000007 112.526 -179.947 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.439 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 119.338 -0.363 . . . . 72.099999999999994 110.866 . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.604 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.2 OUTLIER 176.62 59.95 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 61.109999999999999 110.245 179.979 . . . . . . . . 4 4 . 1 . 034 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.604 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.0 Cg_exo 74.99 161.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 64.140000000000001 110.991 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 6' ' ' THR 2.37 0.1 OUTLIER 72.67 29.68 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 70.450000000000003 109.226 179.961 . . . . . . . . 4 4 . 1 . 034 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.431 ' C ' ' HG1' ' A' ' 6' ' ' THR 2.388 29.2 t90 -47.04 -28.21 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 62.109999999999999 107.995 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.535 ' O ' ' HB3' ' A' ' 7' ' ' ALA 2.418 69.7 m -42.5 -30.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 72.450000000000003 110.412 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 6' ' ' THR 2.414 . . -173.62 77.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 61.509999999999998 109.341 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -36.39 81.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.983 -1.008 . . . . 72.340000000000003 110.904 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 74.109999999999999 112.42 179.913 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 79.1 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 119.301 -0.38 . . . . 64.200000000000003 110.858 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.635 ' O ' HD23 ' A' ' 4' ' ' LEU 2.427 0.0 OUTLIER -173.9 56.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 64.430000000000007 110.313 179.969 . . . . . . . . 4 4 . 1 . 035 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.528 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.1 Cg_exo 75.01 -8.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.761 . . . . 73.219999999999999 111.002 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 2' ' ' ARG 2.372 2.6 pt? -66.99 -126.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 109.342 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.0 OUTLIER 143.12 -17.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 72.019999999999996 107.982 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 16.7 p -59.62 -21.98 61.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 43.219999999999999 110.394 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 142.37 114.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 70.219999999999999 109.287 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.1 -75.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.996 -1.002 . . . . 61.539999999999999 110.94 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 54.439999999999998 112.535 179.977 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 119.309 -0.377 . . . . 73.439999999999998 110.909 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.513 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.4 OUTLIER -174.82 55.42 0.15 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 73.430000000000007 110.319 179.945 . . . . . . . . 4 4 . 1 . 036 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.513 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.2 Cg_exo 75.03 166.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 62.219999999999999 111.004 -180.0 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 2.6 pt? 102.28 -71.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 73.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.8 OUTLIER 83.22 -7.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.969 -1.122 . . . . 74.099999999999994 107.969 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 19.2 p -57.67 -23.07 49.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 64.230000000000004 110.376 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 168.05 105.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 63.140000000000001 109.323 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.84 -38.68 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.005 -0.998 . . . . 71.430000000000007 110.865 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 72.219999999999999 112.468 179.976 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.502 ' C ' ' HG3' ' A' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 119.383 -0.342 . . . . 73.140000000000001 110.861 . . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.608 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER 153.44 60.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 110.312 -179.977 . . . . . . . . 4 4 . 1 . 037 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.608 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 30.2 Cg_exo 75.02 -51.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 73.430000000000007 110.989 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 4' ' ' LEU 2.37 0.1 OUTLIER -61.1 -120.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 72.030000000000001 109.349 -179.973 . . . . . . . . 4 4 . 1 . 037 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 0.0 OUTLIER 68.98 3.94 4.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 108.022 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 44.3 p 49.42 39.8 17.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 71.219999999999999 110.416 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 164.17 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 63.119999999999997 109.3 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -49.69 -30.59 9.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.015 -0.993 . . . . 73.340000000000003 110.927 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 61.409999999999997 112.488 179.985 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 119.329 -0.367 . . . . 72.109999999999999 110.897 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 0.0 OUTLIER 174.54 -171.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 74.519999999999996 110.306 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 30.2 Cg_exo 74.96 -60.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 73.109999999999999 110.986 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.61 ' C ' ' H ' ' A' ' 6' ' ' THR 2.372 1.7 pt? -58.46 -25.96 62.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 75.409999999999997 109.326 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.477 ' O ' ' CB ' ' A' ' 6' ' ' THR 2.388 0.0 OUTLIER 74.61 -29.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 74.120000000000005 107.997 -179.983 . . . . . . . . 4 4 . 1 . 038 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.641 ' O ' ' HB2' ' A' ' 7' ' ' ALA 2.416 0.0 OUTLIER -168.1 25.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 61.450000000000003 110.408 -179.997 . . . . . . . . 4 4 . 1 . 038 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 6' ' ' THR 2.415 . . -80.48 -104.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 52.420000000000002 109.306 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 m 48.74 98.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.956 -1.02 . . . . 71.209999999999994 110.897 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 33.219999999999999 112.514 179.989 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 119.29 -0.386 . . . . 71.140000000000001 110.829 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.591 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER 179.01 59.34 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 72.200000000000003 110.296 179.985 . . . . . . . . 4 4 . 1 . 039 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.756 ' O ' HD12 ' A' ' 4' ' ' LEU 2.523 30.0 Cg_exo 75.04 31.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 73.230000000000004 110.981 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 3' ' ' PRO 2.371 0.0 OUTLIER 154.15 -130.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 73.099999999999994 109.325 -179.953 . . . . . . . . 4 4 . 1 . 039 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' THR 2.388 5.8 p-90 47.06 28.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.014 -1.106 . . . . 74.200000000000003 108.014 179.988 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' TRP 2.417 7.3 t -34.79 -42.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 75.5 110.433 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . -65.54 -67.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.099999999999994 109.236 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.72 119.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.014 -0.994 . . . . 60.109999999999999 110.877 -179.944 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 32.509999999999998 112.468 -179.994 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 119.309 -0.376 . . . . 71.510000000000005 110.908 . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.436 ' CB ' ' CD ' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER 166.34 -174.46 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 64.400000000000006 110.293 179.985 . . . . . . . . 4 4 . 1 . 040 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.6 Cg_exo 74.98 -53.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 75.319999999999993 111.007 179.972 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' A' ' 6' ' ' THR 2.372 1.3 pt? -50.95 -30.78 15.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 65.230000000000004 109.332 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.913 ' O ' HG22 ' A' ' 6' ' ' THR 2.387 3.2 t-105 62.1 3.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 73.450000000000003 107.981 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.913 HG22 ' O ' ' A' ' 5' ' ' TRP 2.417 0.3 OUTLIER -177.21 -35.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 74.129999999999995 110.386 179.981 . . . . . . . . 4 4 . 1 . 040 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 6' ' ' THR 2.414 . . -74.96 -89.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 62.439999999999998 109.29 179.973 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.4 t -178.31 -56.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.018 -0.992 . . . . 74.230000000000004 110.9 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 72.219999999999999 112.518 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 89.3 m . . . . . 0 CA--C 1.527 0.059 0 CA-C-O 119.373 -0.346 . . . . 75.299999999999997 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.52 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER -174.74 55.5 0.15 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 71.140000000000001 110.317 179.973 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.52 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.6 Cg_exo 74.99 -162.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.491 1.785 . . . . 71.409999999999997 111.039 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 4' ' ' LEU 2.371 0.0 OUTLIER -78.32 54.6 1.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 70.049999999999997 109.273 -179.996 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 5' ' ' TRP 2.386 0.0 OUTLIER -74.21 -6.88 50.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 60.43 108.033 179.975 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 31.8 p 94.04 -28.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 75.120000000000005 110.436 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -65.08 -67.29 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 73.519999999999996 109.283 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.8 t -50.39 -40.05 48.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.007 -0.997 . . . . 40.240000000000002 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.704 -0.76 . . . . 74.439999999999998 112.512 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 94.7 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 119.307 -0.378 . . . . 65.420000000000002 110.874 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 158.22 -161.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 74.140000000000001 110.308 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 30.0 Cg_exo 75.02 -61.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.459 1.768 . . . . 63.229999999999997 111.022 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 0.0 OUTLIER 114.56 34.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 52.520000000000003 109.34 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 16.9 t90 -54.64 -31.65 57.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 72.310000000000002 108.054 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 18.8 p 136.14 49.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 72.329999999999998 110.398 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 133.2 -49.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 74.420000000000002 109.27 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.9 t -163.67 -74.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.025 -0.989 . . . . 71.239999999999995 110.901 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.763 -0.732 . . . . 65.450000000000003 112.462 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 119.312 -0.375 . . . . 74.5 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.688 ' HD3' HD13 ' A' ' 4' ' ' LEU 2.428 5.1 mtm105 172.36 -157.45 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 73.129999999999995 110.314 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 30.2 Cg_exo 74.95 -60.87 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 74.150000000000006 110.99 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.688 HD13 ' HD3' ' A' ' 2' ' ' ARG 2.371 0.0 OUTLIER 117.4 36.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 53.109999999999999 109.319 -179.959 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 8.6 t-105 -54.21 -33.21 57.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 75.25 108.06 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.53 HG22 ' O ' ' A' ' 4' ' ' LEU 2.417 39.9 m 101.97 -31.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 63.030000000000001 110.4 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -56.3 -55.42 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 65.239999999999995 109.302 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -55.42 -37.19 67.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.998 -1.001 . . . . 50.210000000000001 110.872 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 61.329999999999998 112.537 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.0 m . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 119.331 -0.366 . . . . 74.019999999999996 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 146.0 -159.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 75.409999999999997 110.263 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.587 ' C ' HD12 ' A' ' 4' ' ' LEU 2.522 30.8 Cg_exo 74.99 -59.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 55.130000000000003 111.021 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.64 HD23 ' HA3' ' A' ' 9' ' ' GLY 2.372 0.2 OUTLIER 115.28 31.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 73.439999999999998 109.305 -179.986 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 7.9 t-105 -64.78 -17.94 64.64 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.014 -1.106 . . . . 74.120000000000005 108.014 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 30.6 p 88.61 79.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 71.409999999999997 110.386 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 177.9 -96.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 53.149999999999999 109.317 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -61.3 -25.09 66.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 114.958 -1.019 . . . . 71.209999999999994 110.863 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.64 ' HA3' HD23 ' A' ' 4' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 43.109999999999999 112.452 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.9 p . . . . . 0 C--O 1.23 0.034 0 CA-C-O 119.39 -0.338 . . . . 74.200000000000003 110.834 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 1.2 ptm180 145.44 -152.47 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 72.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 29.8 Cg_exo 75.02 -62.13 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.46 1.769 . . . . 72.349999999999994 110.975 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 6' ' ' THR 2.371 0.0 OUTLIER 120.06 39.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 62.439999999999998 109.302 -179.969 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 0.8 OUTLIER -54.12 -33.02 56.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 72.140000000000001 107.998 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 4' ' ' LEU 2.417 4.7 m 137.92 52.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 53.210000000000001 110.402 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.413 . . 142.4 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 75.219999999999999 109.309 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -153.71 -64.57 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.02 -0.991 . . . . 34.149999999999999 110.883 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.769 -0.729 . . . . 74.439999999999998 112.467 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 119.307 -0.377 . . . . 65.519999999999996 110.868 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 142.28 -160.15 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.142 . . . . 60.229999999999997 110.327 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.52 30.7 Cg_exo 74.88 -61.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.508 1.793 . . . . 70.25 111.017 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.625 HD23 ' CG2' ' A' ' 6' ' ' THR 2.371 0.0 OUTLIER 116.15 37.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 65.439999999999998 109.3 179.988 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 8.1 t-105 -62.33 -25.09 67.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 75.299999999999997 107.975 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.625 ' CG2' HD23 ' A' ' 4' ' ' LEU 2.417 58.1 m 95.47 -26.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 73.450000000000003 110.357 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -52.86 -57.24 10.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 73.319999999999993 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -36.29 67.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.973 -1.012 . . . . 70.439999999999998 110.866 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.758 -0.734 . . . . 65.340000000000003 112.504 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 119.312 -0.375 . . . . 53.130000000000003 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.427 0.0 OUTLIER 169.47 -155.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 52.009999999999998 110.272 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.2 Cg_exo 75.02 -60.79 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 75.439999999999998 110.998 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 0.1 OUTLIER 122.96 40.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 64.420000000000002 109.336 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.8 OUTLIER -63.94 -22.17 66.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 75.439999999999998 108.003 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 19.8 m 147.05 -26.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 71.129999999999995 110.417 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 177.65 -95.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 74.430000000000007 109.29 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -145.93 -42.35 0.21 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.019 -0.991 . . . . 63.340000000000003 110.886 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 71.030000000000001 112.536 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.2 p . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 119.345 -0.36 . . . . 72.329999999999998 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.427 0.0 OUTLIER 130.24 -157.61 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 73.299999999999997 110.319 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.0 Cg_exo 75.03 -60.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.449 1.763 . . . . 35.229999999999997 111.019 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER 138.67 85.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 73.099999999999994 109.32 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.0 OUTLIER -177.16 37.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 74.219999999999999 108.022 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.419 17.5 m 51.05 32.43 7.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.468 1.105 . . . . 53.229999999999997 110.402 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.412 . . -64.87 -47.61 77.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 60.240000000000002 109.319 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.44 -70.4 0.8 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.008 -0.997 . . . . 63.420000000000002 110.845 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 75.519999999999996 112.486 -179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.409 ' H2 ' ' HA ' ' A' ' 7' ' ' ALA . 85.1 m . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 119.348 -0.358 . . . . 42.509999999999998 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 142.36 -162.66 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 75.530000000000001 110.27 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 29.9 Cg_exo 74.96 -61.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.481 1.779 . . . . 73.099999999999994 110.979 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 4' ' ' LEU 2.371 0.1 OUTLIER 123.09 77.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 75.349999999999994 109.301 -179.963 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 10.3 t-105 175.0 40.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 75.329999999999998 107.984 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 13.6 t 51.1 46.28 26.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 72.129999999999995 110.389 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.409 ' HA ' ' H2 ' ' A' ' 1' ' ' CYS 2.415 . . -51.92 -54.44 29.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 71.019999999999996 109.284 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -22.3 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.956 -1.02 . . . . 72.200000000000003 110.875 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.706 -0.759 . . . . 61.25 112.462 -179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 4.7 t . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 119.318 -0.373 . . . . 64.400000000000006 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 162.42 -157.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 72.230000000000004 110.332 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.709 ' O ' HD13 ' A' ' 4' ' ' LEU 2.521 30.4 Cg_exo 74.98 -68.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 74.319999999999993 110.995 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 3' ' ' PRO 2.372 0.0 OUTLIER 136.34 67.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 72.519999999999996 109.32 -179.982 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 3.8 t-105 -63.17 -34.62 78.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 75.219999999999999 108.016 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.513 ' CG2' HD23 ' A' ' 4' ' ' LEU 2.417 6.1 m 93.89 48.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 71.129999999999995 110.399 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 168.05 -36.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 74.349999999999994 109.304 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.4 t -51.57 -72.24 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 114.952 -1.022 . . . . 70.049999999999997 110.863 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 62.439999999999998 112.479 -179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 119.32 -0.372 . . . . 71.129999999999995 110.904 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 0.0 OUTLIER 145.03 -161.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 74.230000000000004 110.277 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.521 29.9 Cg_exo 75.0 -63.4 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.5 1.789 . . . . 54.439999999999998 111.002 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 4' ' ' LEU 2.372 0.0 OUTLIER 117.96 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 73.239999999999995 109.297 179.95 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 9.4 t-105 -54.99 -31.95 61.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.164 . . . . 65.510000000000005 108.002 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 16.6 p 111.92 81.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 54.219999999999999 110.439 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.413 . . 177.15 -93.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 62.299999999999997 109.311 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.4 p -51.58 -44.91 62.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.016 -0.993 . . . . 51.520000000000003 110.914 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 61.350000000000001 112.494 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 119.269 -0.396 . . . . 70.310000000000002 110.94 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 143.69 -162.28 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 54.119999999999997 110.302 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.521 29.9 Cg_exo 74.99 -60.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.783 . . . . 61.32 110.95 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' HB2' HG22 ' A' ' 6' ' ' THR 2.371 0.0 OUTLIER 115.05 32.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 74.109999999999999 109.283 179.98 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.8 OUTLIER -64.05 -21.6 66.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 107.951 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 4' ' ' LEU 2.417 28.1 m 88.48 -7.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 75.010000000000005 110.404 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . -64.22 -94.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 64.120000000000005 109.305 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.1 p -53.17 -44.11 67.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.005 -0.998 . . . . 74.310000000000002 110.878 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.759 . . . . 73.530000000000001 112.463 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.1 m . . . . . 0 CA--C 1.526 0.043 0 CA-C-O 119.308 -0.377 . . . . 71.349999999999994 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 0.0 OUTLIER 137.54 -154.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.56 1.162 . . . . 64.409999999999997 110.295 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.674 ' O ' HD23 ' A' ' 4' ' ' LEU 2.523 29.9 Cg_exo 75.04 -67.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.474 1.776 . . . . 53.229999999999997 110.994 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 3' ' ' PRO 2.369 0.5 OUTLIER 126.43 43.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.209999999999994 109.35 -179.99 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.486 ' CG ' ' O ' ' A' ' 5' ' ' TRP 2.387 0.0 OUTLIER -73.36 -4.79 35.6 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.991 -1.114 . . . . 75.219999999999999 107.991 179.99 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.55 HG23 ' HB2' ' A' ' 4' ' ' LEU 2.416 2.3 t 87.68 34.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.135 . . . . 74.120000000000005 110.396 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 177.59 -95.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 54.310000000000002 109.331 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.27 -41.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.009 -0.996 . . . . 65.540000000000006 110.878 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 75.549999999999997 112.486 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.2 m . . . . . 0 CA--C 1.527 0.064 0 CA-C-O 119.299 -0.382 . . . . 74.420000000000002 110.879 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.427 87.5 mtm180 139.08 -158.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 75.310000000000002 110.294 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 29.7 Cg_exo 75.0 -60.86 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.473 1.775 . . . . 65.540000000000006 110.985 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.9 OUTLIER 133.25 86.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 75.219999999999999 109.306 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 2.3 t90 165.61 -32.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 74.439999999999998 107.943 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 13.2 t 149.65 -61.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 73.430000000000007 110.396 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 89.11 -52.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 71.329999999999998 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.79 -74.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.983 -1.008 . . . . 73.400000000000006 110.88 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.757 -0.735 . . . . 71.140000000000001 112.459 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 25.7 t . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 119.278 -0.392 . . . . 72.540000000000006 110.929 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.615 ' HB3' ' HB2' ' A' ' 7' ' ' ALA 2.428 0.0 OUTLIER 135.97 -163.06 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 72.540000000000006 110.326 -179.99 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 30.2 Cg_exo 75.01 -60.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.488 1.783 . . . . 72.200000000000003 110.993 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 4' ' ' LEU 2.37 0.0 OUTLIER 130.03 85.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 71.120000000000005 109.285 179.98 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 0.0 OUTLIER -179.16 38.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 74.230000000000004 108.005 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 53.3 p 151.18 -60.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 72.420000000000002 110.429 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' A' ' 2' ' ' ARG 2.413 . . 123.28 -47.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.328 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.37 123.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.961 -1.018 . . . . 73.519999999999996 110.851 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 70.329999999999998 112.5 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.23 0.043 0 CA-C-O 119.379 -0.344 . . . . 74.219999999999999 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.514 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER -174.76 55.29 0.15 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 70.530000000000001 110.282 -179.991 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.521 30.2 Cg_exo 74.98 -60.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.498 1.788 . . . . 73.510000000000005 111.015 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 7' ' ' ALA 2.371 0.9 OUTLIER 170.65 101.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 54.109999999999999 109.287 179.99 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.0 OUTLIER 176.15 -44.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.996 -1.113 . . . . 64.099999999999994 107.996 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 18.1 p -64.44 -61.3 2.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 62.340000000000003 110.432 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.488 ' HB2' ' CD1' ' A' ' 4' ' ' LEU 2.414 . . 146.51 -36.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 71.409999999999997 109.29 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.13 -52.86 49.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.003 -0.999 . . . . 74.140000000000001 110.855 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 65.109999999999999 112.458 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 78.3 m . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 119.327 -0.368 . . . . 75.010000000000005 110.899 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.49 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.0 OUTLIER -174.24 54.99 0.16 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 75.140000000000001 110.303 179.981 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.1 Cg_exo 75.06 -116.72 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.544 1.813 . . . . 65.430000000000007 110.989 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.372 0.0 OUTLIER -76.4 62.34 1.82 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 73.25 109.283 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 0.2 OUTLIER -61.72 -56.39 20.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.952 -1.129 . . . . 75.519999999999996 107.952 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 33.3 m 116.39 34.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 73.140000000000001 110.384 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 170.26 -36.21 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 71.230000000000004 109.343 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.4 t -52.02 -35.16 46.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.978 -1.01 . . . . 72.340000000000003 110.885 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.719 -0.753 . . . . 75.420000000000002 112.503 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 119.308 -0.377 . . . . 71.439999999999998 110.914 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 113.54 -158.87 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.140000000000001 110.283 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.749 ' O ' HD23 ' A' ' 4' ' ' LEU 2.523 29.8 Cg_exo 75.04 -59.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.787 . . . . 72.129999999999995 111.019 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.749 HD23 ' O ' ' A' ' 3' ' ' PRO 2.371 0.1 OUTLIER 146.96 90.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 72.540000000000006 109.323 -179.993 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.541 ' CB ' ' O ' ' A' ' 4' ' ' LEU 2.387 8.4 t-105 -158.97 27.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.102 . . . . 73.340000000000003 108.038 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 29.4 p 46.44 35.78 3.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 75.439999999999998 110.376 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 155.54 -86.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 54.310000000000002 109.304 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.95 -36.61 2.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.005 -0.998 . . . . 64.439999999999998 110.894 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 61.520000000000003 112.452 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 85.5 m . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 119.292 -0.385 . . . . 60.030000000000001 110.887 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 0.0 OUTLIER 137.1 -165.84 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 74.430000000000007 110.304 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.5 Cg_exo 75.0 -61.2 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.525 1.802 . . . . 63.049999999999997 110.985 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 3.7 tt 144.87 93.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 74.439999999999998 109.293 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 0.0 OUTLIER 91.96 12.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 73.140000000000001 107.999 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 2.7 m -46.91 -43.04 18.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 65.010000000000005 110.388 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.413 . . 106.94 116.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 54.43 109.298 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 -42.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.993 -1.003 . . . . 70.519999999999996 110.9 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.682 -0.77 . . . . 54.509999999999998 112.448 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 40.0 m . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 119.351 -0.357 . . . . 62.140000000000001 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.53 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.43 0.0 OUTLIER -176.06 56.01 0.13 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 64.349999999999994 110.296 179.988 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.53 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.1 Cg_exo 75.06 -53.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.512 1.796 . . . . 72.540000000000006 110.978 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.72 HD13 ' O ' ' A' ' 8' ' ' CYS 2.371 2.4 tt 177.18 96.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 75.549999999999997 109.286 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.437 ' O ' HG23 ' A' ' 6' ' ' THR 2.386 0.0 OUTLIER 145.16 -19.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.988 -1.116 . . . . 72.299999999999997 107.988 179.949 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.522 ' O ' HG22 ' A' ' 6' ' ' THR 2.416 0.5 OUTLIER -68.91 -8.94 48.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 110.434 179.95 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 118.99 -34.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 73.409999999999997 109.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.72 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -122.1 -67.08 0.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.972 -1.013 . . . . 63.229999999999997 110.879 -179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 73.140000000000001 112.524 -179.995 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 119.306 -0.378 . . . . 75.329999999999998 110.909 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.43 0.3 OUTLIER 136.28 -158.58 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 70.319999999999993 110.293 -179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.3 Cg_exo 75.01 -60.51 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.473 1.776 . . . . 61.329999999999998 111.008 179.967 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 1.3 tt 128.55 83.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 64.140000000000001 109.312 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.2 OUTLIER 112.19 13.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.310000000000002 108.031 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 3.1 m -46.96 -45.23 20.67 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 72.349999999999994 110.401 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 130.38 -71.3 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 72.239999999999995 109.345 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.4 m 59.75 107.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.956 -1.02 . . . . 43.229999999999997 110.89 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 75.040000000000006 112.481 179.993 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 119.299 -0.382 . . . . 71.340000000000003 110.891 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.504 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.0 OUTLIER -174.13 55.06 0.16 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 73.549999999999997 110.313 179.931 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.504 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.2 Cg_exo 75.03 -63.17 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 64.25 110.998 179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.59 HD12 ' HB2' ' A' ' 7' ' ' ALA 2.371 5.1 tt 171.17 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 75.430000000000007 109.295 179.998 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.9 OUTLIER 152.75 -35.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 73.010000000000005 108.016 -179.978 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 25.6 p -64.46 -57.89 7.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 65.540000000000006 110.444 179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.59 ' HB2' HD12 ' A' ' 4' ' ' LEU 2.415 . . 123.36 117.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 74.310000000000002 109.3 -179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.08 -37.79 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.004 -0.998 . . . . 70.349999999999994 110.835 -179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 70.319999999999993 112.494 -179.993 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 119.384 -0.341 . . . . 62.020000000000003 110.863 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.472 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER -174.77 53.99 0.13 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 52.049999999999997 110.34 179.984 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.472 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 29.5 Cg_exo 75.07 -148.01 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.491 1.785 . . . . 64.209999999999994 110.987 179.974 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER -78.88 51.86 1.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 61.219999999999999 109.329 179.954 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 29.9 m-90 -43.65 -42.16 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 72.010000000000005 108.017 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 2.9 t 119.03 35.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 75.5 110.404 179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' A' ' 8' ' ' CYS 2.414 . . 155.97 -64.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 34.219999999999999 109.292 179.962 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 7' ' ' ALA . 22.2 t 71.97 -62.51 0.46 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.057 -0.974 . . . . 72.400000000000006 110.88 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 51.030000000000001 112.51 179.984 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.8 m . . . . . 0 C--O 1.23 0.055 0 CA-C-O 119.338 -0.363 . . . . 75.439999999999998 110.916 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.516 ' C ' ' H ' ' A' ' 4' ' ' LEU 2.428 0.0 OUTLIER -175.13 55.6 0.15 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 73.439999999999998 110.3 -179.985 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 30.6 Cg_exo 75.0 -29.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 75.329999999999998 111.021 -179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 2' ' ' ARG 2.37 0.6 OUTLIER 172.02 123.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 109.312 -179.984 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.388 0.1 OUTLIER 128.0 45.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.977 -1.12 . . . . 71.519999999999996 107.977 179.984 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 8' ' ' CYS 2.417 17.7 p 155.34 88.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 73.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -47.87 -28.17 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 65.230000000000004 109.342 179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.519 ' H ' HG23 ' A' ' 6' ' ' THR . 27.3 p -40.03 -39.62 0.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.984 -1.007 . . . . 74.109999999999999 110.861 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 31.41 112.489 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 82.5 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 119.371 -0.347 . . . . 63.340000000000003 110.884 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.428 0.0 OUTLIER 102.63 -168.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 62.109999999999999 110.287 179.973 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.522 30.1 Cg_exo 75.02 -71.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.515 1.797 . . . . 71.420000000000002 110.997 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.37 2.0 tt 167.19 93.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 73.120000000000005 109.277 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.49 ' O ' ' CB ' ' A' ' 6' ' ' THR 2.387 0.1 OUTLIER 123.42 -17.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.999 -1.111 . . . . 72.430000000000007 107.999 179.996 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.49 ' CB ' ' O ' ' A' ' 5' ' ' TRP 2.417 2.8 p -81.94 40.84 0.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 71.519999999999996 110.465 179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . -49.49 -24.54 2.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 73.349999999999994 109.327 -179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -30.62 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.981 -1.009 . . . . 71.010000000000005 110.867 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 52.100000000000001 112.471 -179.994 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 119.358 -0.354 . . . . 61.240000000000002 110.906 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.444 ' N ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER -62.43 -62.19 6.22 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 64.340000000000003 110.31 179.976 . . . . . . . . 4 4 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 2' ' ' ARG 2.521 30.4 Cg_exo 74.95 -9.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.78 . . . . 70.420000000000002 111.01 179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.488 ' HB2' HG23 ' A' ' 6' ' ' THR 2.371 0.0 OUTLIER 177.85 26.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.098 . . . . 53.030000000000001 109.291 179.958 . . . . . . . . 4 4 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.412 ' CB ' ' O ' ' A' ' 4' ' ' LEU 2.388 11.5 t90 -81.53 -14.58 56.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 74.510000000000005 107.995 -179.986 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.488 HG23 ' HB2' ' A' ' 4' ' ' LEU 2.418 1.4 t 113.06 15.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 74.230000000000004 110.387 -179.965 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 127.47 116.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 62.409999999999997 109.338 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.9 t -100.59 -35.24 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.981 -1.008 . . . . 42.420000000000002 110.865 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.723 . . . . 63.310000000000002 112.493 -179.991 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 119.293 -0.385 . . . . 71.510000000000005 110.92 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.514 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER 59.65 55.52 4.69 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 110.264 179.953 . . . . . . . . 4 4 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.514 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 29.3 Cg_exo 75.01 -55.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.471 1.774 . . . . 73.310000000000002 110.94 179.98 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.096 HD23 ' HB2' ' A' ' 7' ' ' ALA 2.37 0.0 OUTLIER 173.84 38.18 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.579 1.174 . . . . 73.439999999999998 109.301 179.998 . . . . . . . . 4 4 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.417 ' O ' ' CB ' ' A' ' 6' ' ' THR 2.387 0.1 OUTLIER -78.28 -37.01 45.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 75.400000000000006 108.041 179.931 . . . . . . . . 4 4 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.417 ' CB ' ' O ' ' A' ' 5' ' ' TRP 2.417 2.8 p -76.75 -77.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 73.319999999999993 110.396 179.979 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 1.096 ' HB2' HD23 ' A' ' 4' ' ' LEU 2.414 . . 167.63 -55.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 54.509999999999998 109.306 179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.7 m 54.89 103.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.962 -1.017 . . . . 71.230000000000004 110.852 -179.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.801 -0.714 . . . . 71.219999999999999 112.448 179.95 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 C--O 1.23 0.06 0 CA-C-O 119.367 -0.349 . . . . 64.530000000000001 110.865 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.496 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.3 OUTLIER -170.32 54.81 0.23 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 62.109999999999999 110.336 179.958 . . . . . . . . 4 4 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.691 ' C ' HD12 ' A' ' 4' ' ' LEU 2.523 29.6 Cg_exo 75.0 75.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.533 1.807 . . . . 44.340000000000003 110.987 -179.998 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.691 HD12 ' C ' ' A' ' 3' ' ' PRO 2.371 0.0 OUTLIER 145.93 -126.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 73.400000000000006 109.278 -179.999 . . . . . . . . 4 4 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.5 OUTLIER 64.27 12.09 6.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 74.340000000000003 107.999 179.997 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.596 HG23 ' HB3' ' A' ' 4' ' ' LEU 2.416 0.5 OUTLIER 57.19 34.01 24.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 73.019999999999996 110.371 -179.973 . . . . . . . . 4 4 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 153.68 -29.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 51.310000000000002 109.293 179.967 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.3 t -175.07 -79.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.014 -0.994 . . . . 72.340000000000003 110.901 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.763 . . . . 53.210000000000001 112.473 179.983 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 14.4 m . . . . . 0 CA--C 1.526 0.035 0 CA-C-O 119.379 -0.343 . . . . 65.129999999999995 110.815 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.52 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.4 OUTLIER -173.11 55.76 0.2 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 73.430000000000007 110.328 179.986 . . . . . . . . 4 4 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.701 ' O ' HD12 ' A' ' 4' ' ' LEU 2.523 29.3 Cg_exo 75.03 48.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.528 1.804 . . . . 60.030000000000001 110.997 -179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.701 HD12 ' O ' ' A' ' 3' ' ' PRO 2.37 0.0 OUTLIER 162.61 -126.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 54.43 109.251 -179.99 . . . . . . . . 4 4 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.1 OUTLIER 78.42 -1.06 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 107.967 -1.123 . . . . 71.329999999999998 107.967 179.977 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 68.2 p 101.08 -30.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 73.030000000000001 110.376 179.964 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 150.86 -24.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 74.409999999999997 109.295 -179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.0 m 61.47 108.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.976 -1.011 . . . . 62.520000000000003 110.895 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 73.310000000000002 112.468 -179.987 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 119.315 -0.374 . . . . 50.450000000000003 110.878 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.523 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER -175.07 56.01 0.16 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 74.420000000000002 110.282 179.982 . . . . . . . . 4 4 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.523 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.524 29.5 Cg_exo 75.07 -19.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.52 1.8 . . . . 74.129999999999995 110.98 179.931 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 2' ' ' ARG 2.371 2.6 pt? -67.32 -128.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 63.219999999999999 109.289 -179.961 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 6.4 t90 145.1 -18.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 74.519999999999996 107.978 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.418 14.0 p -64.71 -17.31 63.99 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.118 . . . . 64.5 110.345 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 178.46 -74.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.11 . . . . 52.130000000000003 109.27 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -179.07 123.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.016 -0.993 . . . . 61.43 110.887 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 53.420000000000002 112.491 179.989 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 119.31 -0.376 . . . . 74.519999999999996 110.926 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.484 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER -175.13 54.24 0.13 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 74.299999999999997 110.274 -179.976 . . . . . . . . 4 4 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.484 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 30.0 Cg_exo 74.99 166.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.518 1.799 . . . . 73.5 111.018 179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.459 ' C ' ' H ' ' A' ' 6' ' ' THR 2.371 2.6 pt? 108.61 -57.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 72.519999999999996 109.322 -179.998 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.471 ' C ' ' HG1' ' A' ' 6' ' ' THR 2.387 0.0 OUTLIER 82.98 -20.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.153 . . . . 74.040000000000006 108.065 -179.948 . . . . . . . . 4 4 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.487 ' O ' ' HB3' ' A' ' 7' ' ' ALA 2.418 32.5 m -44.01 -33.19 1.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 74.019999999999996 110.451 179.964 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 6' ' ' THR 2.415 . . -176.58 -98.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 54.049999999999997 109.3 -179.977 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.9 t -172.68 -65.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.964 -1.016 . . . . 64.420000000000002 110.875 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 71.209999999999994 112.517 -180.0 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.9 p . . . . . 0 CA--C 1.527 0.078 0 CA-C-O 119.292 -0.385 . . . . 71.439999999999998 110.867 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.44 ' CB ' ' CD ' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER 172.47 -174.68 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 71.219999999999999 110.316 179.944 . . . . . . . . 4 4 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.44 ' CD ' ' CB ' ' A' ' 2' ' ' ARG 2.521 30.7 Cg_exo 74.95 -105.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.538 1.81 . . . . 62.5 111.027 -179.967 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.718 ' O ' ' C ' ' A' ' 5' ' ' TRP 2.37 0.0 OUTLIER -79.68 53.1 1.54 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 72.120000000000005 109.262 -179.955 . . . . . . . . 4 4 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.718 ' C ' ' O ' ' A' ' 4' ' ' LEU 2.388 0.0 OUTLIER -12.12 -73.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.006 -1.109 . . . . 71.420000000000002 108.006 179.96 . . . . . . . . 4 4 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 4' ' ' LEU 2.418 67.8 p 82.64 -24.93 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 62.43 110.407 -180.0 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' ' 5' ' ' TRP 2.413 . . 130.3 -14.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 54.119999999999997 109.298 179.984 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -49.54 -27.16 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.018 -0.992 . . . . 73.540000000000006 110.932 179.944 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.761 -0.733 . . . . 74.450000000000003 112.527 179.979 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 119.321 -0.371 . . . . 73.129999999999995 110.848 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.494 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.0 OUTLIER -172.48 54.42 0.19 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 55.140000000000001 110.296 179.935 . . . . . . . . 4 4 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.494 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.521 30.0 Cg_exo 74.97 173.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 73.25 110.998 179.981 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 0.0 OUTLIER -71.57 83.07 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 63.149999999999999 109.314 -179.983 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.414 ' HD1' HG22 ' A' ' 6' ' ' THR 2.387 2.2 m-90 -176.08 36.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 71.409999999999997 108.054 180.0 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.414 HG22 ' HD1' ' A' ' 5' ' ' TRP 2.417 0.2 OUTLIER 96.73 85.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 55.219999999999999 110.427 -179.951 . . . . . . . . 4 4 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.59 ' O ' ' C ' ' A' ' 8' ' ' CYS 2.414 . . 152.01 118.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 51.310000000000002 109.259 179.994 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.59 ' C ' ' O ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -21.22 -75.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.032 -0.985 . . . . 71.140000000000001 110.816 -179.982 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 71.430000000000007 112.526 -179.947 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.439 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 119.338 -0.363 . . . . 72.099999999999994 110.866 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.604 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.2 OUTLIER 176.62 59.95 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 61.109999999999999 110.245 179.979 . . . . . . . . 4 4 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.604 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.0 Cg_exo 74.99 161.49 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.485 1.782 . . . . 64.140000000000001 110.991 179.954 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' C ' ' N ' ' A' ' 6' ' ' THR 2.37 0.1 OUTLIER 72.67 29.68 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 70.450000000000003 109.226 179.961 . . . . . . . . 4 4 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.431 ' C ' ' HG1' ' A' ' 6' ' ' THR 2.388 29.2 t90 -47.04 -28.21 1.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 62.109999999999999 107.995 179.988 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.535 ' O ' ' HB3' ' A' ' 7' ' ' ALA 2.418 69.7 m -42.5 -30.73 0.37 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 72.450000000000003 110.412 -179.996 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 6' ' ' THR 2.414 . . -173.62 77.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 61.509999999999998 109.341 -179.982 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -36.39 81.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.983 -1.008 . . . . 72.340000000000003 110.904 -179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.722 -0.752 . . . . 74.109999999999999 112.42 179.913 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 79.1 m . . . . . 0 C--O 1.23 0.06 0 CA-C-O 119.301 -0.38 . . . . 64.200000000000003 110.858 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.635 ' O ' HD23 ' A' ' 4' ' ' LEU 2.427 0.0 OUTLIER -173.9 56.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 64.430000000000007 110.313 179.969 . . . . . . . . 4 4 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.528 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.1 Cg_exo 75.01 -8.6 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.445 1.761 . . . . 73.219999999999999 111.002 179.993 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 2' ' ' ARG 2.372 2.6 pt? -66.99 -126.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.340000000000003 109.342 179.984 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.0 OUTLIER 143.12 -17.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.982 -1.118 . . . . 72.019999999999996 107.982 179.954 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.416 16.7 p -59.62 -21.98 61.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 43.219999999999999 110.394 -179.989 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 142.37 114.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 70.219999999999999 109.287 179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -125.1 -75.06 0.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.996 -1.002 . . . . 61.539999999999999 110.94 -180.0 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.737 . . . . 54.439999999999998 112.535 179.977 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 119.309 -0.377 . . . . 73.439999999999998 110.909 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.513 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.427 0.4 OUTLIER -174.82 55.42 0.15 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 73.430000000000007 110.319 179.945 . . . . . . . . 4 4 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.513 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.2 Cg_exo 75.03 166.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.522 1.801 . . . . 62.219999999999999 111.004 -180.0 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 2.371 2.6 pt? 102.28 -71.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 73.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.387 0.8 OUTLIER 83.22 -7.89 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.969 -1.122 . . . . 74.099999999999994 107.969 179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 19.2 p -57.67 -23.07 49.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 64.230000000000004 110.376 -179.991 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . 168.05 105.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 63.140000000000001 109.323 -179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -99.84 -38.68 8.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.005 -0.998 . . . . 71.430000000000007 110.865 -179.986 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.74 -0.743 . . . . 72.219999999999999 112.468 179.976 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.502 ' C ' ' HG3' ' A' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.051 0 CA-C-O 119.383 -0.342 . . . . 73.140000000000001 110.861 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.608 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.428 0.0 OUTLIER 153.44 60.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 73.340000000000003 110.312 -179.977 . . . . . . . . 4 4 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.608 ' HD2' ' CB ' ' A' ' 2' ' ' ARG 2.523 30.2 Cg_exo 75.02 -51.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.465 1.771 . . . . 73.430000000000007 110.989 179.998 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 4' ' ' LEU 2.37 0.1 OUTLIER -61.1 -120.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 72.030000000000001 109.349 -179.973 . . . . . . . . 4 4 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . 2.386 0.0 OUTLIER 68.98 3.94 4.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 73.439999999999998 108.022 179.999 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . 2.417 44.3 p 49.42 39.8 17.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 71.219999999999999 110.416 -179.992 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.414 . . 164.17 -31.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 63.119999999999997 109.3 179.969 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.0 t -49.69 -30.59 9.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.015 -0.993 . . . . 73.340000000000003 110.927 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 61.409999999999997 112.488 179.985 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 119.329 -0.367 . . . . 72.109999999999999 110.897 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . 2.429 0.0 OUTLIER 174.54 -171.55 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 74.519999999999996 110.306 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . 2.523 30.2 Cg_exo 74.96 -60.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.467 1.772 . . . . 73.109999999999999 110.986 179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.61 ' C ' ' H ' ' A' ' 6' ' ' THR 2.372 1.7 pt? -58.46 -25.96 62.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 75.409999999999997 109.326 179.983 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.477 ' O ' ' CB ' ' A' ' 6' ' ' THR 2.388 0.0 OUTLIER 74.61 -29.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 74.120000000000005 107.997 -179.983 . . . . . . . . 4 4 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.641 ' O ' ' HB2' ' A' ' 7' ' ' ALA 2.416 0.0 OUTLIER -168.1 25.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 61.450000000000003 110.408 -179.997 . . . . . . . . 4 4 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 6' ' ' THR 2.415 . . -80.48 -104.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 52.420000000000002 109.306 179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.7 m 48.74 98.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.956 -1.02 . . . . 71.209999999999994 110.897 -179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 33.219999999999999 112.514 179.989 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 119.29 -0.386 . . . . 71.140000000000001 110.829 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.591 ' CB ' ' HD2' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER 179.01 59.34 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 72.200000000000003 110.296 179.985 . . . . . . . . 4 4 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.756 ' O ' HD12 ' A' ' 4' ' ' LEU 2.523 30.0 Cg_exo 75.04 31.39 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.484 1.781 . . . . 73.230000000000004 110.981 179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.756 HD12 ' O ' ' A' ' 3' ' ' PRO 2.371 0.0 OUTLIER 154.15 -130.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 73.099999999999994 109.325 -179.953 . . . . . . . . 4 4 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.448 ' O ' ' C ' ' A' ' 6' ' ' THR 2.388 5.8 p-90 47.06 28.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.014 -1.106 . . . . 74.200000000000003 108.014 179.988 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 5' ' ' TRP 2.417 7.3 t -34.79 -42.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 75.5 110.433 -179.979 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . 2.415 . . -65.54 -67.91 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.099999999999994 109.236 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.72 119.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.014 -0.994 . . . . 60.109999999999999 110.877 -179.944 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 32.509999999999998 112.468 -179.994 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 119.309 -0.376 . . . . 71.510000000000005 110.908 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.436 ' CB ' ' CD ' ' A' ' 3' ' ' PRO 2.429 0.0 OUTLIER 166.34 -174.46 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 64.400000000000006 110.293 179.985 . . . . . . . . 4 4 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 2' ' ' ARG 2.522 30.6 Cg_exo 74.98 -53.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.517 1.798 . . . . 75.319999999999993 111.007 179.972 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' A' ' 6' ' ' THR 2.372 1.3 pt? -50.95 -30.78 15.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 65.230000000000004 109.332 179.957 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.913 ' O ' HG22 ' A' ' 6' ' ' THR 2.387 3.2 t-105 62.1 3.04 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 73.450000000000003 107.981 -179.989 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.913 HG22 ' O ' ' A' ' 5' ' ' TRP 2.417 0.3 OUTLIER -177.21 -35.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 74.129999999999995 110.386 179.981 . . . . . . . . 4 4 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 6' ' ' THR 2.414 . . -74.96 -89.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 62.439999999999998 109.29 179.973 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.4 t -178.31 -56.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.018 -0.992 . . . . 74.230000000000004 110.9 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 72.219999999999999 112.518 179.999 . . . . . . . . 0 0 . 1 stop_ save_