==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 27-MAR-03 1OVR . COMPND 2 MOLECULE: FOUR-HELIX BUNDLE MODEL DI-MN(II)-DF1-L13; . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.DI COSTANZO,S.GEREMIA . 192 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14504.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 90.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 2 1 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A D > 0 0 135 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -26.1 29.5 8.4 5.0 2 2 A Y H > + 0 0 96 69,-0.4 4,-1.5 1,-0.3 5,-0.1 0.946 360.0 49.5 -58.8 -36.3 32.5 9.8 3.1 3 3 A L H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.838 108.8 50.6 -72.9 -33.2 32.1 12.6 5.6 4 4 A R H > S+ 0 0 146 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.941 105.3 57.4 -65.6 -45.5 31.9 10.3 8.5 5 5 A E H X S+ 0 0 100 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.859 109.8 44.4 -54.4 -36.3 35.1 8.5 7.3 6 6 A L H X S+ 0 0 84 -4,-1.5 4,-3.2 2,-0.2 5,-0.3 0.940 109.5 53.6 -75.7 -47.5 37.0 11.9 7.4 7 7 A L H X S+ 0 0 29 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.786 111.1 52.6 -49.1 -27.0 35.5 12.8 10.8 8 8 A K H X S+ 0 0 85 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.912 108.7 44.1 -82.4 -44.7 36.9 9.4 11.7 9 9 A L H X S+ 0 0 93 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.932 113.8 52.1 -63.1 -42.5 40.4 9.9 10.5 10 10 A E H X S+ 0 0 38 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.942 109.1 49.6 -59.7 -46.0 40.6 13.3 12.0 11 11 A L H X S+ 0 0 82 -4,-1.4 4,-0.8 -5,-0.3 -1,-0.2 0.850 112.4 47.9 -62.4 -33.9 39.4 12.0 15.4 12 12 A Q H X S+ 0 0 115 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.884 110.8 55.0 -70.6 -36.6 42.1 9.3 15.1 13 13 A L H >X S+ 0 0 74 -4,-2.8 4,-1.9 1,-0.2 3,-0.8 0.968 102.6 51.2 -61.2 -61.1 44.6 12.0 14.1 14 14 A I H 3X S+ 0 0 17 -4,-2.7 4,-3.9 1,-0.2 5,-0.2 0.804 102.9 60.9 -46.4 -35.9 44.2 14.3 17.1 15 15 A K H 3X S+ 0 0 140 -4,-0.8 4,-2.4 1,-0.3 -1,-0.2 0.925 106.9 44.8 -65.5 -42.6 44.7 11.5 19.6 16 16 A Q H X S+ 0 0 94 -4,-2.4 3,-0.7 -5,-0.2 4,-0.6 0.890 105.3 47.0 -58.0 -39.1 49.8 11.8 22.7 20 20 A A H >X S+ 0 0 31 -4,-1.3 4,-2.6 -3,-0.4 3,-1.5 0.914 107.0 58.8 -73.0 -39.0 52.9 13.7 21.7 21 21 A L H 3< S+ 0 0 53 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.660 91.2 67.1 -69.4 -10.1 51.7 16.7 23.6 22 22 A E H << S+ 0 0 144 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.870 119.3 24.2 -66.1 -26.0 51.6 14.6 26.9 23 23 A Y H << S+ 0 0 174 -3,-1.5 2,-0.4 -4,-0.6 -2,-0.2 0.725 118.8 47.7-109.8 -37.0 55.4 14.6 26.4 24 24 A V < - 0 0 67 -4,-2.6 2,-1.5 2,-0.1 -1,-0.2 -0.963 59.3-144.6-126.0 132.6 56.7 17.4 24.4 25 25 A K + 0 0 210 -2,-0.4 -4,-0.1 -3,-0.1 -3,-0.0 -0.664 42.2 153.6 -91.5 78.0 56.0 21.1 24.5 26 26 A L >> - 0 0 91 -2,-1.5 3,-1.8 1,-0.1 4,-1.6 -0.854 32.7-159.5-111.8 94.2 56.2 21.7 20.8 27 27 A P H 3> S+ 0 0 102 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.708 90.2 57.0 -45.1 -31.5 54.0 24.8 19.9 28 28 A V H 3> S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.814 105.4 51.1 -73.6 -34.6 53.7 23.7 16.2 29 29 A L H <> S+ 0 0 30 -3,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.912 110.4 49.0 -62.1 -46.3 52.2 20.4 17.3 30 30 A A H X S+ 0 0 46 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.781 109.3 55.1 -65.7 -22.8 49.7 22.3 19.5 31 31 A K H X S+ 0 0 102 -4,-1.1 4,-1.3 -5,-0.3 -1,-0.2 0.833 106.2 47.7 -83.2 -32.8 49.0 24.5 16.5 32 32 A I H >X S+ 0 0 44 -4,-1.7 4,-2.5 2,-0.2 3,-0.8 0.966 108.0 57.6 -63.1 -53.3 48.1 21.6 14.2 33 33 A L H 3X S+ 0 0 17 -4,-2.2 4,-2.6 1,-0.3 -2,-0.2 0.893 103.8 53.9 -38.4 -54.6 45.9 20.2 17.0 34 34 A E H 3X S+ 0 0 115 -4,-1.6 4,-1.8 1,-0.2 -1,-0.3 0.867 108.5 47.4 -56.6 -42.0 44.0 23.5 16.9 35 35 A D H X S+ 0 0 118 -4,-1.8 4,-2.1 1,-0.2 3,-0.7 0.960 111.5 56.6 -60.7 -53.9 38.4 23.4 13.8 39 39 A H H 3X S+ 0 0 58 -4,-4.3 4,-1.1 1,-0.3 -2,-0.2 0.764 108.3 48.4 -47.0 -31.6 38.5 20.8 11.0 40 40 A I H 3X S+ 0 0 18 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.3 0.790 106.3 53.9 -88.8 -29.9 36.4 18.5 13.2 41 41 A E H < S+ 0 0 95 -4,-3.0 3,-1.0 1,-0.2 -1,-0.2 0.964 113.5 43.0 -56.2 -50.2 28.4 21.1 11.5 46 46 A I H 3< S+ 0 0 105 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.668 107.6 59.4 -76.4 -13.1 28.0 19.7 8.0 47 47 A L H 3< 0 0 61 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.673 360.0 360.0 -81.2 -15.1 27.0 16.3 9.3 48 48 A G << 0 0 103 -4,-1.2 -3,-0.2 -3,-1.0 -2,-0.1 0.659 360.0 360.0 93.7 360.0 24.1 18.1 10.9 49 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 50 1 B D > 0 0 122 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -38.3 35.3 -15.4 -23.5 51 2 B Y H > + 0 0 178 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 360.0 52.2 -56.3 -30.6 34.5 -12.3 -25.5 52 3 B L H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 106.2 49.0 -71.5 -42.4 31.5 -12.6 -23.3 53 4 B R H > S+ 0 0 139 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.868 108.9 56.6 -61.9 -34.4 33.5 -12.8 -20.2 54 5 B E H X S+ 0 0 100 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.932 105.2 48.1 -66.6 -46.9 35.4 -9.8 -21.4 55 6 B L H X S+ 0 0 87 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.945 113.9 50.0 -56.8 -46.6 32.3 -7.7 -21.7 56 7 B L H >X S+ 0 0 29 -4,-2.2 3,-2.7 1,-0.3 4,-2.3 0.968 109.2 48.6 -49.2 -62.5 31.4 -8.9 -18.2 57 8 B K H 3X S+ 0 0 98 -4,-3.5 4,-1.0 1,-0.3 -1,-0.3 0.807 111.1 54.7 -50.5 -28.6 34.8 -8.0 -16.9 58 9 B L H 3< S+ 0 0 90 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.3 0.570 106.9 47.5 -83.2 -13.5 34.1 -4.7 -18.7 59 10 B E H S+ 0 0 74 -4,-0.3 4,-1.7 1,-0.2 3,-0.5 0.913 106.7 53.1 -68.3 -40.0 32.0 0.3 -15.0 63 14 B I H X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.897 103.6 53.8 -62.2 -37.6 29.8 -0.5 -11.9 64 15 B K H X S+ 0 0 127 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.754 110.1 50.7 -70.4 -26.5 32.4 0.2 -9.2 65 16 B Q H X S+ 0 0 104 -4,-0.7 4,-0.7 -3,-0.5 -1,-0.2 0.836 107.7 47.5 -85.0 -38.8 33.0 3.6 -10.8 66 17 B Y H X S+ 0 0 60 -4,-1.7 4,-2.6 1,-0.2 3,-0.4 0.917 117.1 49.5 -62.9 -39.9 29.4 4.7 -10.9 67 18 B R H < S+ 0 0 120 -4,-2.4 4,-0.3 2,-0.2 -2,-0.2 0.907 103.2 55.4 -63.8 -47.6 29.3 3.5 -7.3 68 19 B E H < S+ 0 0 95 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.737 113.5 45.8 -64.0 -15.3 32.4 5.3 -6.2 69 20 B A H >X S+ 0 0 35 -4,-0.7 4,-2.7 -3,-0.4 3,-1.8 0.896 100.0 63.9 -86.2 -47.8 30.6 8.3 -7.4 70 21 B L T 3< S+ 0 0 46 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.421 94.4 69.6 -57.9 6.3 27.3 7.5 -5.8 71 22 B E T 34 S+ 0 0 116 -4,-0.3 -69,-0.4 -3,-0.2 -1,-0.3 0.844 114.4 19.1 -88.8 -42.2 29.2 7.9 -2.6 72 23 B Y T <4 S+ 0 0 131 -3,-1.8 2,-0.4 -4,-0.4 -2,-0.2 0.699 128.0 51.1-100.1 -21.0 29.7 11.6 -2.8 73 24 B V < - 0 0 63 -4,-2.7 2,-0.2 2,-0.1 -1,-0.2 -0.962 49.0-172.2-130.9 133.4 27.0 12.3 -5.3 74 25 B K + 0 0 196 -2,-0.4 -4,-0.1 -3,-0.1 3,-0.0 -0.456 26.0 156.3-114.9 59.0 23.3 11.5 -5.6 75 26 B L >> - 0 0 87 -2,-0.2 4,-1.5 1,-0.1 3,-0.9 -0.723 44.8-128.3 -85.6 128.7 22.3 12.7 -9.1 76 27 B P H 3> S+ 0 0 97 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.828 102.2 54.2 -39.6 -52.6 19.2 10.8 -10.4 77 28 B V H 3> S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.819 104.8 53.5 -56.3 -41.3 20.5 9.7 -13.7 78 29 B L H <> S+ 0 0 35 -3,-0.9 4,-2.4 2,-0.2 5,-0.3 0.989 107.2 51.6 -59.0 -56.2 23.6 8.0 -12.2 79 30 B A H X S+ 0 0 55 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.849 110.6 52.0 -45.6 -35.0 21.3 6.1 -9.9 80 31 B K H X S+ 0 0 147 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.913 108.7 47.5 -71.3 -46.4 19.4 5.2 -13.1 81 32 B I H X S+ 0 0 52 -4,-2.5 4,-2.1 -3,-0.3 -2,-0.2 0.794 106.5 57.0 -65.4 -31.4 22.5 3.9 -15.0 82 33 B L H X S+ 0 0 17 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.923 104.8 55.0 -61.5 -41.0 23.8 1.8 -12.0 83 34 B E H X S+ 0 0 120 -4,-1.2 4,-2.3 -5,-0.3 -2,-0.2 0.892 108.2 45.4 -64.6 -39.7 20.5 0.0 -12.2 84 35 B D H X S+ 0 0 78 -4,-1.4 4,-4.2 2,-0.2 5,-0.3 0.972 112.9 51.5 -63.4 -52.0 20.9 -0.9 -15.9 85 36 B E H X S+ 0 0 17 -4,-2.1 4,-1.5 2,-0.2 5,-0.2 0.925 109.3 49.2 -49.3 -55.6 24.4 -2.0 -15.3 86 37 B E H >X S+ 0 0 84 -4,-3.1 4,-1.8 1,-0.2 3,-0.9 0.946 114.1 47.1 -46.3 -56.2 23.3 -4.2 -12.4 87 38 B K H >X S+ 0 0 114 -4,-2.3 4,-1.9 1,-0.3 3,-0.6 0.955 111.5 51.6 -47.5 -55.8 20.6 -5.6 -14.7 88 39 B H H 3X S+ 0 0 58 -4,-4.2 4,-1.3 1,-0.3 -1,-0.3 0.657 106.8 53.1 -56.6 -27.1 23.3 -6.0 -17.5 89 40 B I H 0 0 129 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -19.5 45.9 33.5 1.8 100 2 C Y H > + 0 0 79 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.778 360.0 48.0 -81.4 -24.3 49.0 33.8 -0.4 101 3 C L H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.862 111.6 51.2 -81.1 -37.4 48.0 37.2 -1.7 102 4 C R H > S+ 0 0 148 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.964 111.0 48.2 -58.2 -51.8 47.4 38.2 1.8 103 5 C E H X S+ 0 0 95 -4,-2.2 4,-1.8 1,-0.2 3,-0.3 0.948 110.7 51.4 -54.5 -54.7 50.9 36.9 2.7 104 6 C L H X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.865 109.2 50.4 -45.7 -44.6 52.5 38.7 -0.3 105 7 C L H X S+ 0 0 26 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.916 105.9 55.1 -67.9 -36.1 50.9 42.0 0.8 106 8 C K H X S+ 0 0 116 -4,-1.9 4,-1.6 -3,-0.3 -2,-0.2 0.916 108.5 47.5 -66.4 -42.3 52.0 41.8 4.4 107 9 C L H X S+ 0 0 31 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.829 109.8 54.0 -63.1 -35.7 55.7 41.4 3.3 108 10 C E H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.892 104.4 54.8 -70.9 -39.0 55.3 44.4 0.9 109 11 C L H X S+ 0 0 80 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.910 111.1 45.5 -53.8 -46.0 54.0 46.6 3.7 110 12 C Q H X S+ 0 0 89 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.915 110.3 53.8 -63.5 -41.3 57.1 45.9 5.8 111 13 C L H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.930 110.0 46.9 -65.3 -41.1 59.4 46.3 2.8 112 14 C I H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.907 105.1 59.2 -69.0 -38.6 58.0 49.8 2.2 113 15 C K H X S+ 0 0 129 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.945 111.5 43.4 -52.2 -45.9 58.2 50.8 5.8 114 16 C Q H X S+ 0 0 47 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.801 108.5 53.9 -73.9 -30.9 61.9 50.1 5.6 115 17 C Y H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.862 111.3 50.8 -67.3 -31.2 62.5 51.8 2.2 116 18 C R H < S+ 0 0 122 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.940 112.6 42.8 -65.6 -43.6 60.9 54.7 3.9 117 19 C E H >X S+ 0 0 72 -4,-1.7 4,-1.8 1,-0.2 3,-0.8 0.844 108.5 63.2 -79.3 -26.6 63.2 54.5 6.9 118 20 C A H 3X S+ 0 0 1 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.912 99.4 50.8 -58.4 -46.5 66.0 53.9 4.4 119 21 C L H 3< S+ 0 0 55 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.508 105.6 56.3 -80.1 -0.5 65.6 57.4 2.8 120 22 C E H <4 S+ 0 0 166 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.800 110.4 47.8 -79.6 -41.4 65.7 58.9 6.2 121 23 C Y H < S+ 0 0 155 -4,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.813 125.4 2.8 -62.4 -36.4 69.1 57.1 6.6 122 24 C V < - 0 0 42 -4,-1.7 2,-0.5 2,-0.1 -1,-0.2 -0.981 65.8-114.2-165.4 140.1 70.7 58.1 3.3 123 25 C K + 0 0 193 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 -0.659 51.4 144.4 -86.3 124.5 70.2 60.1 0.1 124 26 C L >> - 0 0 47 -2,-0.5 3,-1.4 1,-0.1 4,-1.1 -0.613 35.2-162.2-172.4 81.1 70.0 57.7 -2.6 125 27 C P H 3> S+ 0 0 98 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.845 89.7 64.1 -54.0 -36.1 67.7 58.5 -5.4 126 28 C V H >> S+ 0 0 42 1,-0.3 4,-1.1 2,-0.2 3,-0.7 0.913 98.3 56.0 -57.6 -39.3 67.6 54.9 -6.6 127 29 C L H X> S+ 0 0 0 -3,-1.4 4,-2.2 1,-0.2 3,-1.3 0.949 103.8 55.3 -54.4 -46.2 66.0 53.9 -3.4 128 30 C A H 3X S+ 0 0 46 -4,-1.1 4,-1.5 -3,-0.3 -1,-0.2 0.781 102.4 55.2 -58.1 -32.6 63.3 56.5 -4.2 129 31 C K H > 0 0 139 0, 0.0 4,-2.9 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -46.8 73.0 46.6 7.1 149 2 D Y H 3> + 0 0 83 1,-0.3 4,-0.9 2,-0.2 -31,-0.1 0.856 360.0 51.9 -66.4 -24.9 69.8 48.4 6.4 150 3 D L H 3> S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.852 111.6 47.1 -66.6 -34.1 70.8 47.9 2.8 151 4 D R H <> S+ 0 0 149 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.858 107.4 51.5 -81.1 -38.6 71.2 44.2 3.5 152 5 D E H X S+ 0 0 78 -4,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.839 110.3 56.0 -69.4 -25.4 68.0 43.6 5.4 153 6 D L H >X S+ 0 0 0 -4,-0.9 4,-1.7 -5,-0.4 3,-1.1 0.991 109.3 41.7 -66.5 -58.1 66.5 45.3 2.3 154 7 D L H 3X S+ 0 0 25 -4,-2.2 4,-1.3 1,-0.3 -2,-0.2 0.820 109.8 61.0 -55.7 -33.0 68.0 42.8 -0.1 155 8 D K H 3X S+ 0 0 83 -4,-2.3 4,-1.3 1,-0.2 -1,-0.3 0.795 106.2 46.9 -67.2 -31.7 67.1 40.0 2.3 156 9 D L H X S+ 0 0 12 -4,-2.3 4,-3.2 1,-0.2 3,-1.1 0.911 105.3 61.7 -70.9 -39.3 52.8 31.6 -6.6 168 21 D L H 3< S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.847 99.7 59.1 -61.0 -24.7 53.6 32.3 -10.2 169 22 D E H 3< S+ 0 0 144 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.824 118.4 25.1 -73.9 -32.1 53.9 28.5 -10.6 170 23 D Y H << S+ 0 0 193 -3,-1.1 2,-0.4 -4,-0.7 -2,-0.2 0.622 121.3 55.9-109.6 -26.4 50.3 27.6 -9.5 171 24 D V < - 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